#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 3.80 -0.06 6.12 1.04 -1.26 -5.11 113.70 118.23 2ksh s SER 2 Ca 0.00 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.57 2ksh s SER 2 Cb 0.00 -1.56 -0.03 0.00 0.10 0.00 0.00 66.02 64.53 2ksh s SER 2 CO 0.00 -0.08 -0.03 -0.76 0.98 0.00 0.00 173.24 173.35 2ksh s LEU 3 N 1.27 3.37 0.33 2.42 1.43 -1.26 -5.01 118.68 121.24 2ksh s LEU 3 Ca 0.01 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 2ksh s LEU 3 Cb -0.16 -1.79 0.58 0.00 0.03 0.00 0.00 46.19 44.85 2ksh s LEU 3 CO -0.08 0.35 1.98 0.11 0.23 0.00 0.00 176.35 178.94 2ksh h LYS 4 N 5.04 0.88 -0.23 1.70 1.57 -2.00 -1.33 116.57 122.20 2ksh h LYS 4 Ca -0.50 -0.07 0.07 0.00 -1.87 0.00 0.00 60.65 58.28 2ksh h LYS 4 Cb 1.18 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 2ksh h LYS 4 CO 0.54 0.60 0.31 0.66 -0.57 0.00 0.00 179.45 180.99 2ksh h SER 5 N 0.90 0.00 -0.94 0.86 4.64 -1.95 -0.95 113.55 116.10 2ksh h SER 5 Ca 0.24 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.68 2ksh h SER 5 Cb -0.06 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 61.95 2ksh h SER 5 CO -0.05 0.00 0.57 -0.78 -0.87 0.00 0.00 176.83 175.70 2ksh h ASP 6 N 0.00 0.81 -0.50 4.97 1.82 -1.65 0.28 116.42 122.15 2ksh h ASP 6 Ca 0.11 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.81 2ksh h ASP 6 Cb 0.72 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.61 2ksh h ASP 6 CO -0.00 0.42 0.33 -0.33 -1.61 0.00 0.00 179.24 178.05 2ksh h GLU 7 N 0.88 0.66 -0.28 0.28 5.08 -1.35 0.18 114.58 120.03 2ksh h GLU 7 Ca 0.48 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.74 2ksh h GLU 7 Cb 0.51 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2ksh h GLU 7 CO -0.28 0.44 -0.04 0.28 -1.00 0.00 0.00 179.01 178.40 2ksh h VAL 8 N 0.68 1.27 -0.79 3.13 2.07 -1.38 -2.44 116.25 118.79 2ksh h VAL 8 Ca 0.18 -1.03 -0.05 0.00 0.82 0.00 0.00 66.70 66.63 2ksh h VAL 8 Cb -0.08 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2ksh h VAL 8 CO -0.04 0.33 0.31 -0.26 0.02 0.00 0.00 177.57 177.93 2ksh h PHE 9 N 0.30 1.20 0.11 1.57 0.04 -0.77 -0.83 116.94 118.56 2ksh h PHE 9 Ca 0.08 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 2ksh h PHE 9 Cb 0.50 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 38.29 2ksh h PHE 9 CO 0.05 0.91 -0.05 0.00 -0.60 0.00 0.00 178.31 178.61 2ksh h ALA 10 N 1.19 -0.14 -0.69 2.45 0.00 -0.57 -2.04 119.26 119.46 2ksh h ALA 10 Ca 0.26 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 2ksh h ALA 10 Cb 0.22 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2ksh h ALA 10 CO -0.02 -0.57 0.23 1.57 0.00 0.00 0.00 179.25 180.47 2ksh h LYS 11 N -0.17 1.05 0.10 0.00 2.10 -1.31 -2.53 116.57 115.81 2ksh h LYS 11 Ca -0.01 -0.20 0.02 0.00 -2.00 0.00 0.00 60.65 58.45 2ksh h LYS 11 Cb 0.13 -0.16 -0.03 0.00 -0.90 0.00 0.00 32.23 31.27 2ksh h LYS 11 CO 0.02 0.88 -0.21 0.82 -2.00 0.00 0.00 179.45 178.96 2ksh h ILE 12 N 1.02 0.51 -0.78 0.07 1.08 -0.90 0.33 117.51 118.84 2ksh h ILE 12 Ca 0.23 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.75 2ksh h ILE 12 Cb 0.26 0.51 -0.05 0.00 -3.07 0.00 0.00 36.82 34.47 2ksh h ILE 12 CO -0.01 0.00 0.48 0.00 -0.69 0.00 0.00 178.15 177.92 2ksh h ALA 13 N 0.41 1.05 -0.21 1.87 0.00 -1.26 0.32 119.26 121.43 2ksh h ALA 13 Ca 0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2ksh h ALA 13 Cb 0.42 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2ksh h ALA 13 CO -0.13 0.23 -0.27 -0.22 0.00 0.00 0.00 179.25 178.86 2ksh h LYS 14 N 0.89 0.41 0.01 0.00 3.64 -1.00 -2.83 116.57 117.70 2ksh h LYS 14 Ca 0.33 -0.15 -0.20 0.00 -1.27 0.00 0.00 60.65 59.36 2ksh h LYS 14 Cb 0.12 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2ksh h LYS 14 CO -0.15 0.65 -0.91 0.00 -2.27 0.00 0.00 179.45 176.76 2ksh h ARG 15 N 0.36 0.12 0.00 1.90 2.47 0.62 -3.08 114.38 116.77 2ksh h ARG 15 Ca 0.05 -0.15 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 2ksh h ARG 15 Cb 0.66 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.03 2ksh h ARG 15 CO 0.05 0.95 0.00 1.28 0.56 0.00 0.00 179.97 182.80 2ksh n LEU 16 N -3.58 0.61 0.11 3.04 4.77 0.10 -1.81 117.00 120.24 2ksh n LEU 16 Ca -0.03 0.66 0.13 0.00 -0.03 0.00 0.00 56.01 56.75 2ksh n LEU 16 Cb 0.84 -0.60 0.41 0.00 -2.33 0.00 0.00 43.42 41.74 2ksh n LEU 16 CO 0.47 -0.58 0.89 -0.62 -1.33 0.00 0.00 177.39 176.22 2ksh n GLU 17 N -2.19 0.26 0.00 3.23 1.02 -1.14 -2.99 120.64 118.83 2ksh n GLU 17 Ca 0.02 0.22 0.11 0.00 -0.02 0.00 0.00 57.16 57.50 2ksh n GLU 17 Cb 0.20 -1.81 0.15 0.00 -0.02 0.00 0.00 31.44 29.96 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 -2.27 0.64 -4.77 1.62 7.64 -0.75 -4.94 113.62 110.79 2ksh n SER 18 Ca 0.05 -0.45 -0.40 0.00 1.01 0.00 0.00 58.87 59.08 2ksh n SER 18 Cb 0.42 0.46 0.01 0.00 -1.01 0.00 0.00 64.21 64.09 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 -1.51 2.41 -4.25 0.44 5.41 -1.16 -5.02 119.36 115.68 2ksh n ILE 19 Ca 0.05 -0.50 -0.22 0.00 1.00 0.00 0.00 62.75 63.08 2ksh n ILE 19 Cb 0.34 -1.93 -0.12 0.00 -0.71 0.00 0.00 39.64 37.21 2ksh n ILE 19 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2ksh s ASP 20 N -0.29 2.26 0.55 4.38 2.15 -1.26 -5.03 116.67 119.42 2ksh s ASP 20 Ca 0.57 -0.67 0.34 0.00 0.43 0.00 0.00 52.55 53.22 2ksh s ASP 20 Cb -0.46 -0.11 1.40 0.00 -0.30 0.00 0.00 42.92 43.46 2ksh s ASP 20 CO 0.61 0.01 2.00 1.55 -0.17 0.00 0.00 175.17 179.17 2ksh h PRO 21 N 4.13 0.00 0.31 4.34 0.13 -2.02 -3.20 132.00 135.68 2ksh h PRO 21 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 2ksh h PRO 21 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ksh h PRO 21 CO 0.40 0.01 -0.15 0.00 -0.23 0.00 0.00 178.00 178.03 2ksh h ALA 22 N 1.99 -0.42 -2.94 -0.56 0.00 -2.02 -3.40 119.26 111.92 2ksh h ALA 22 Ca -0.00 -0.09 -0.68 0.00 0.00 0.00 0.00 54.91 54.14 2ksh h ALA 22 Cb 0.50 0.17 -0.24 0.00 0.00 0.00 0.00 17.79 18.21 2ksh h ALA 22 CO 0.00 -0.74 -0.58 1.21 0.00 0.00 0.00 179.25 179.14 2ksh s ASN 23 N -4.82 5.36 0.00 0.00 3.84 -1.21 -5.04 114.94 113.07 2ksh s ASN 23 Ca -0.15 -0.64 0.00 0.00 0.21 0.00 0.00 52.86 52.27 2ksh s ASN 23 Cb 0.05 -1.95 0.00 0.00 -0.55 0.00 0.00 41.25 38.80 2ksh s ASN 23 CO 0.64 -0.21 0.00 -1.14 -2.79 0.00 0.00 177.10 173.61 2ksh n ARG 24 N 4.93 -2.61 0.00 0.43 0.63 -1.26 -4.62 116.66 114.16 2ksh n ARG 24 Ca -0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 2ksh n ARG 24 Cb 0.48 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.39 2ksh n ARG 24 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2ksh n GLN 25 N -0.02 0.00 -4.99 -0.14 6.02 -1.26 -5.13 117.38 111.86 2ksh n GLN 25 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.71 2ksh n GLN 25 Cb 0.00 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.10 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 -0.52 1.66 -0.08 5.09 0.11 -1.26 -5.12 120.40 120.28 2ksh s VAL 26 Ca 0.00 -0.84 -0.01 0.00 -2.93 0.00 0.00 61.98 58.20 2ksh s VAL 26 Cb 0.00 -1.41 0.03 0.00 -1.53 0.00 0.00 36.38 33.46 2ksh s VAL 26 CO 0.00 0.47 -0.01 -1.61 -3.33 0.00 0.00 175.10 170.62 2ksh s GLU 27 N -0.04 0.77 0.20 1.54 8.01 -1.26 -5.11 118.70 122.80 2ksh s GLU 27 Ca -0.03 0.04 -0.02 0.00 0.01 0.00 0.00 54.97 54.97 2ksh s GLU 27 Cb -0.12 -1.06 -0.04 0.00 -4.31 0.00 0.00 34.13 28.60 2ksh s GLU 27 CO 0.03 -0.28 0.14 -1.01 0.01 0.00 0.00 175.26 174.15 2ksh s HIS 28 N 1.86 1.09 0.39 1.61 3.76 -1.26 -5.08 115.29 117.66 2ksh s HIS 28 Ca 0.04 -1.33 -0.25 0.00 -0.15 0.00 0.00 55.06 53.37 2ksh s HIS 28 Cb -0.12 -0.51 -0.09 0.00 1.11 0.00 0.00 32.58 32.97 2ksh s HIS 28 CO -0.05 -0.65 1.14 0.08 -0.85 0.00 0.00 174.74 174.41 2ksh s VAL 29 N -4.14 3.31 0.09 -0.90 1.01 -1.26 -4.87 120.40 113.64 2ksh s VAL 29 Ca 0.37 1.09 0.01 0.00 0.00 0.00 0.00 61.98 63.45 2ksh s VAL 29 Cb 0.07 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 2ksh s VAL 29 CO 0.11 0.09 -0.06 -0.47 0.00 0.00 0.00 175.10 174.76 2ksh s TYR 30 N -1.46 0.86 -0.02 5.22 5.04 -1.22 -3.18 117.35 122.59 2ksh s TYR 30 Ca 0.57 -0.93 0.01 0.00 -2.44 0.00 0.00 57.07 54.28 2ksh s TYR 30 Cb -0.29 -0.50 0.01 0.00 0.35 0.00 0.00 41.96 41.53 2ksh s TYR 30 CO 0.36 -0.17 -0.04 0.15 -1.34 0.00 0.00 175.55 174.50 2ksh s LYS 31 N -3.84 0.51 -0.22 4.97 -0.14 -0.93 -1.63 119.74 118.46 2ksh s LYS 31 Ca 0.11 -0.13 -0.01 0.00 -1.36 0.00 0.00 55.97 54.58 2ksh s LYS 31 Cb 0.06 -0.53 0.06 0.00 -1.68 0.00 0.00 37.83 35.73 2ksh s LYS 31 CO -0.05 0.03 -0.02 -0.06 -0.76 0.00 0.00 175.35 174.49 2ksh s PHE 32 N 0.28 1.85 -0.23 3.18 0.40 -0.47 -0.03 117.98 122.96 2ksh s PHE 32 Ca -0.03 -1.39 -0.07 0.00 -0.60 0.00 0.00 56.93 54.84 2ksh s PHE 32 Cb -0.07 -1.36 -0.03 0.00 0.51 0.00 0.00 43.02 42.07 2ksh s PHE 32 CO -0.00 -0.70 0.07 -0.98 0.70 0.00 0.00 175.22 174.30 2ksh s ARG 33 N 1.58 3.72 -0.12 0.44 1.70 -0.60 -0.66 118.95 125.01 2ksh s ARG 33 Ca -0.04 -0.45 -0.17 0.00 -0.47 0.00 0.00 55.73 54.60 2ksh s ARG 33 Cb -0.18 -3.29 -0.04 0.00 -0.57 0.00 0.00 34.95 30.86 2ksh s ARG 33 CO -0.07 -0.08 0.44 0.42 -1.08 0.00 0.00 175.30 174.93 2ksh s ILE 34 N 1.32 5.20 -0.04 4.99 -1.09 -0.93 -2.14 121.20 128.51 2ksh s ILE 34 Ca 0.05 0.87 -0.01 0.00 -2.23 0.00 0.00 60.65 59.32 2ksh s ILE 34 Cb -0.15 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 36.92 2ksh s ILE 34 CO 0.03 0.36 0.06 0.42 -1.23 0.00 0.00 174.94 174.58 2ksh s THR 35 N 0.47 4.66 -0.40 2.92 -4.23 -1.17 -1.67 115.64 116.22 2ksh s THR 35 Ca 0.24 -0.32 -0.13 0.00 -1.18 0.00 0.00 61.69 60.30 2ksh s THR 35 Cb -0.15 -3.07 0.03 0.00 1.34 0.00 0.00 72.50 70.65 2ksh s THR 35 CO 0.09 0.44 0.26 -1.58 -0.54 0.00 0.00 174.62 173.30 2ksh s GLN 36 N -1.44 2.89 0.00 3.99 0.74 0.27 -2.59 119.66 123.53 2ksh s GLN 36 Ca 0.19 -1.08 0.00 0.00 0.05 0.00 0.00 55.36 54.52 2ksh s GLN 36 Cb -0.12 -3.87 0.00 0.00 1.10 0.00 0.00 33.01 30.12 2ksh s GLN 36 CO 0.10 -0.75 0.00 0.41 -0.55 0.00 0.00 175.29 174.50 2ksh n GLY 37 N 5.08 1.43 0.00 2.59 0.00 -1.26 -3.12 105.19 109.91 2ksh n GLY 37 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2ksh n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ksh n GLY 38 N 0.00 0.00 2.98 -0.02 0.00 -1.26 -5.10 105.19 101.79 2ksh n GLY 38 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.34 0.40 1.61 2.20 -1.18 -5.07 119.74 118.03 2ksh s LYS 39 Ca 0.00 -0.46 -0.27 0.00 -0.36 0.00 0.00 55.97 54.88 2ksh s LYS 39 Cb 0.00 -0.13 -0.10 0.00 -1.51 0.00 0.00 37.83 36.09 2ksh s LYS 39 CO 0.00 0.02 1.42 0.54 -0.36 0.00 0.00 175.35 176.97 2ksh s VAL 40 N -0.90 2.22 0.00 4.02 0.11 -1.26 0.97 120.40 125.56 2ksh s VAL 40 Ca -0.08 0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.18 2ksh s VAL 40 Cb -0.07 -3.13 0.00 0.00 -1.53 0.00 0.00 36.38 31.66 2ksh s VAL 40 CO -0.00 0.04 0.00 1.33 -3.33 0.00 0.00 175.10 173.14 2ksh n VAL 41 N 0.28 0.00 -3.80 2.04 0.24 -0.67 -4.76 118.33 111.66 2ksh n VAL 41 Ca 0.02 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.23 2ksh n VAL 41 Cb 0.41 -0.56 -0.05 0.00 -1.47 0.00 0.00 33.84 32.17 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 -1.64 1.30 -0.03 7.34 2.20 -1.18 -5.05 119.74 122.69 2ksh s LYS 42 Ca 0.00 -0.95 -0.00 0.00 -0.36 0.00 0.00 55.97 54.66 2ksh s LYS 42 Cb 0.00 0.48 0.03 0.00 -1.51 0.00 0.00 37.83 36.83 2ksh s LYS 42 CO 0.00 -0.53 0.04 0.54 -0.36 0.00 0.00 175.35 175.03 2ksh s ASN 43 N -2.90 0.37 0.02 1.43 2.20 -1.26 -2.20 114.94 112.59 2ksh s ASN 43 Ca 0.11 0.05 0.01 0.00 -0.94 0.00 0.00 52.86 52.09 2ksh s ASN 43 Cb 0.00 -0.10 -0.04 0.00 -2.00 0.00 0.00 41.25 39.12 2ksh s ASN 43 CO -0.02 -0.16 0.04 0.26 -2.94 0.00 0.00 177.10 174.28 2ksh s TRP 44 N 1.35 3.16 -0.05 1.54 0.52 0.17 -3.41 118.94 122.22 2ksh s TRP 44 Ca -0.05 0.12 0.06 0.00 0.02 0.00 0.00 56.10 56.24 2ksh s TRP 44 Cb -0.13 -1.68 -0.02 0.00 -1.15 0.00 0.00 33.47 30.50 2ksh s TRP 44 CO -0.03 0.51 -0.23 0.54 0.02 0.00 0.00 176.95 177.76 2ksh s VAL 45 N -1.19 2.31 -0.24 4.03 0.11 -0.87 -1.37 120.40 123.18 2ksh s VAL 45 Ca 0.23 -0.99 -0.05 0.00 -2.93 0.00 0.00 61.98 58.24 2ksh s VAL 45 Cb -0.12 -1.85 -0.01 0.00 -1.53 0.00 0.00 36.38 32.88 2ksh s VAL 45 CO 0.14 0.57 0.00 -0.32 -3.33 0.00 0.00 175.10 172.17 2ksh s MET 46 N -0.38 3.37 0.00 1.54 1.75 -0.65 -0.88 119.30 124.05 2ksh s MET 46 Ca 0.03 -0.64 0.00 0.00 -1.25 0.00 0.00 55.69 53.83 2ksh s MET 46 Cb -0.12 -3.14 0.00 0.00 2.84 0.00 0.00 34.83 34.41 2ksh s MET 46 CO 0.02 -0.24 0.00 -3.47 -0.65 0.00 0.00 175.02 170.67 2ksh n ASP 47 N 4.83 -0.69 0.03 1.11 -0.08 0.10 -3.46 116.55 118.39 2ksh n ASP 47 Ca -0.17 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.11 2ksh n ASP 47 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 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 -0.26 0.21 -2.67 0.00 -1.26 -4.60 117.00 108.42 2ksh n LEU 48 Ca 0.00 0.11 0.08 0.00 0.00 0.00 0.00 56.01 56.20 2ksh n LEU 48 Cb 0.00 0.40 0.41 0.00 0.00 0.00 0.00 43.42 44.22 2ksh n LEU 48 CO 0.00 -0.49 0.75 0.11 0.00 0.00 0.00 177.39 177.75 2ksh h LYS 49 N 0.00 0.00 0.00 1.96 1.57 -1.97 -3.17 116.57 114.95 2ksh h LYS 49 Ca 0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 2ksh h LYS 49 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2ksh h LYS 49 CO 0.00 0.30 -2.04 0.09 -0.57 0.00 0.00 179.45 177.24 2ksh n ASN 50 N -3.51 0.76 -1.81 0.86 3.02 -1.26 -5.01 115.26 108.32 2ksh n ASN 50 Ca -0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.43 2ksh n ASN 50 Cb 0.46 1.32 0.03 0.00 -0.61 0.00 0.00 39.78 40.97 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 -2.42 -1.22 -4.22 2.41 0.31 -1.20 -4.98 118.33 107.01 2ksh n VAL 51 Ca -0.17 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 63.99 2ksh n VAL 51 Cb 0.81 -2.47 -0.14 0.00 -0.91 0.00 0.00 33.84 31.14 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 -5.34 0.62 -0.07 5.55 2.47 -1.26 -4.57 119.74 117.13 2ksh s LYS 52 Ca 0.21 -0.46 0.02 0.00 -1.56 0.00 0.00 55.97 54.18 2ksh s LYS 52 Cb -0.09 -0.55 -0.03 0.00 -1.46 0.00 0.00 37.83 35.70 2ksh s LYS 52 CO 0.26 0.14 -0.12 -0.48 0.16 0.00 0.00 175.35 175.32 2ksh s LEU 53 N -0.68 2.88 0.12 5.43 2.34 -1.26 0.00 118.68 127.51 2ksh s LEU 53 Ca -0.01 -0.16 0.00 0.00 0.06 0.00 0.00 54.13 54.03 2ksh s LEU 53 Cb -0.05 -1.61 -0.04 0.00 -0.56 0.00 0.00 46.19 43.92 2ksh s LEU 53 CO 0.00 0.32 0.00 -0.69 -1.06 0.00 0.00 176.35 174.92 2ksh s VAL 54 N -0.56 0.41 -0.52 1.48 1.01 -0.05 -4.96 120.40 117.19 2ksh s VAL 54 Ca 0.08 -1.92 -0.27 0.00 0.00 0.00 0.00 61.98 59.88 2ksh s VAL 54 Cb -0.12 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 2ksh s VAL 54 CO 0.02 -0.65 2.06 -1.83 0.00 0.00 0.00 175.10 174.69 2ksh s GLU 55 N -3.94 2.54 0.24 2.72 -1.05 -1.26 -2.05 118.70 115.89 2ksh s GLU 55 Ca 0.18 1.03 -0.14 0.00 -0.15 0.00 0.00 54.97 55.89 2ksh s GLU 55 Cb 0.07 -4.44 0.00 0.00 -0.44 0.00 0.00 34.13 29.32 2ksh s GLU 55 CO -0.01 -2.81 0.50 0.45 0.95 0.00 0.00 175.26 174.34 2ksh s SER 56 N 9.31 -0.12 0.00 0.83 0.15 -1.22 -4.95 113.70 117.70 2ksh s SER 56 Ca 0.80 -0.85 0.04 0.00 0.70 0.00 0.00 55.95 56.64 2ksh s SER 56 Cb -0.16 0.60 0.12 0.00 -1.71 0.00 0.00 66.02 64.86 2ksh s SER 56 CO 0.24 -1.15 1.05 -0.67 1.20 0.00 0.00 173.24 173.92 2ksh n ASP 57 N -0.38 2.27 -4.50 5.45 -0.08 -1.26 -3.97 116.55 114.08 2ksh n ASP 57 Ca -0.03 -1.91 -0.37 0.00 -1.51 0.00 0.00 54.79 50.97 2ksh n ASP 57 Cb 0.62 -0.08 0.06 0.00 2.34 0.00 0.00 41.12 44.05 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 -0.05 -0.72 -4.54 1.67 2.03 -1.26 -4.94 116.55 108.74 2ksh n ASP 58 Ca 0.05 0.67 -0.29 0.00 0.52 0.00 0.00 54.79 55.74 2ksh n ASP 58 Cb 0.30 -1.25 0.23 0.00 -0.72 0.00 0.00 41.12 39.68 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 -1.79 -0.03 0.20 -1.67 0.00 -1.26 -4.93 121.76 112.28 2ksh s ALA 59 Ca 0.69 -0.08 -0.17 0.00 0.00 0.00 0.00 51.96 52.39 2ksh s ALA 59 Cb -0.39 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.51 2ksh s ALA 59 CO 0.54 -3.56 0.53 0.00 0.00 0.00 0.00 175.76 173.27 2ksh s ALA 60 N -2.56 -0.89 0.23 0.00 0.00 -1.26 -4.96 121.76 112.32 2ksh s ALA 60 Ca 0.68 -0.28 0.25 0.00 0.00 0.00 0.00 51.96 52.60 2ksh s ALA 60 Cb -0.24 0.87 1.10 0.00 0.00 0.00 0.00 23.12 24.85 2ksh s ALA 60 CO 0.63 -0.82 1.91 0.93 0.00 0.00 0.00 175.76 178.41 2ksh h GLU 61 N 2.20 0.00 -3.13 0.00 4.39 -1.90 -3.46 114.58 112.69 2ksh h GLU 61 Ca -0.28 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.40 2ksh h GLU 61 Cb 1.26 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.79 2ksh h GLU 61 CO 0.37 0.20 0.12 0.00 -1.16 0.00 0.00 179.01 178.54 2ksh s ALA 62 N -3.82 -1.35 -0.08 3.43 0.00 -1.26 -3.68 121.76 115.01 2ksh s ALA 62 Ca -0.01 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.22 2ksh s ALA 62 Cb 0.11 0.84 0.01 0.00 0.00 0.00 0.00 23.12 24.08 2ksh s ALA 62 CO 0.62 -0.76 -0.15 0.99 0.00 0.00 0.00 175.76 176.46 2ksh s THR 63 N -3.79 1.38 -0.30 0.00 2.01 -0.97 -2.19 115.64 111.78 2ksh s THR 63 Ca 0.03 -0.62 -0.00 0.00 0.31 0.00 0.00 61.69 61.41 2ksh s THR 63 Cb -0.01 -1.23 0.06 0.00 0.01 0.00 0.00 72.50 71.33 2ksh s THR 63 CO -0.11 0.41 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.00 2ksh s LEU 64 N 0.60 3.94 -0.27 4.42 2.96 0.95 -0.20 118.68 131.07 2ksh s LEU 64 Ca -0.15 -1.41 -0.14 0.00 -0.22 0.00 0.00 54.13 52.20 2ksh s LEU 64 Cb -0.16 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 2ksh s LEU 64 CO 0.05 -0.27 0.33 -0.89 -1.32 0.00 0.00 176.35 174.25 2ksh s THR 65 N 1.19 5.20 -0.10 3.68 2.01 -0.37 -1.56 115.64 125.69 2ksh s THR 65 Ca -0.04 0.46 -0.06 0.00 0.31 0.00 0.00 61.69 62.36 2ksh s THR 65 Cb -0.20 -3.67 0.04 0.00 0.01 0.00 0.00 72.50 68.68 2ksh s THR 65 CO -0.03 0.17 0.23 -0.04 -0.69 0.00 0.00 174.62 174.27 2ksh s MET 66 N 2.00 0.22 1.09 4.92 -1.94 -0.91 -2.26 119.30 122.42 2ksh s MET 66 Ca 0.13 0.44 -0.12 0.00 -1.71 0.00 0.00 55.69 54.43 2ksh s MET 66 Cb -0.16 -0.03 0.24 0.00 2.01 0.00 0.00 34.83 36.89 2ksh s MET 66 CO 0.10 -0.11 1.06 -2.00 -0.01 0.00 0.00 175.02 174.06 2ksh s GLU 67 N 0.83 -0.34 0.05 2.03 2.12 -1.26 -3.05 118.70 119.07 2ksh s GLU 67 Ca -0.06 1.02 -0.20 0.00 0.36 0.00 0.00 54.97 56.09 2ksh s GLU 67 Cb -0.07 -1.61 -0.12 0.00 0.26 0.00 0.00 34.13 32.59 2ksh s GLU 67 CO -0.05 -3.39 1.42 0.22 -0.54 0.00 0.00 175.26 172.92 2ksh h ASP 68 N -2.39 0.35 0.11 -1.70 3.58 -1.86 0.58 116.42 115.09 2ksh h ASP 68 Ca -0.56 -0.39 -0.09 0.00 0.42 0.00 0.00 57.03 56.41 2ksh h ASP 68 Cb 1.31 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 42.26 2ksh h ASP 68 CO 0.48 0.66 -0.30 -0.78 -2.88 0.00 0.00 179.24 176.43 2ksh h ASP 69 N 0.03 0.30 0.00 2.28 3.58 -1.92 -2.16 116.42 118.53 2ksh h ASP 69 Ca 0.04 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.39 2ksh h ASP 69 Cb 0.52 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.49 2ksh h ASP 69 CO 0.02 0.59 -0.00 0.40 -2.88 0.00 0.00 179.24 177.37 2ksh h ILE 70 N 0.26 1.60 -0.87 2.25 5.03 -1.90 -3.29 117.51 120.60 2ksh h ILE 70 Ca 0.04 -2.19 0.16 0.00 -0.12 0.00 0.00 64.86 62.75 2ksh h ILE 70 Cb 0.66 3.02 -0.07 0.00 -3.03 0.00 0.00 36.82 37.41 2ksh h ILE 70 CO 0.05 0.54 0.56 -0.03 -0.68 0.00 0.00 178.15 178.59 2ksh h MET 71 N -0.99 0.57 -0.43 2.37 4.05 0.15 -0.99 114.93 119.66 2ksh h MET 71 Ca -0.00 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.41 2ksh h MET 71 Cb 0.89 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.53 2ksh h MET 71 CO 0.00 0.38 0.24 0.35 0.23 0.00 0.00 176.91 178.11 2ksh h PHE 72 N 0.59 0.45 -0.07 1.39 3.57 -1.49 0.33 116.94 121.72 2ksh h PHE 72 Ca 0.44 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.95 2ksh h PHE 72 Cb 0.83 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.42 2ksh h PHE 72 CO -0.00 0.25 0.04 0.00 -2.23 0.00 0.00 178.31 176.37 2ksh h ALA 73 N 1.21 0.09 0.00 2.41 0.00 -1.26 0.20 119.26 121.91 2ksh h ALA 73 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2ksh h ALA 73 Cb 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2ksh h ALA 73 CO -0.10 -0.37 0.00 0.82 0.00 0.00 0.00 179.25 179.60 2ksh h ILE 74 N 0.02 0.00 0.08 0.00 1.08 -1.20 0.44 117.51 117.92 2ksh h ILE 74 Ca 0.02 -0.39 -0.32 0.00 -0.39 0.00 0.00 64.86 63.78 2ksh h ILE 74 Cb 0.08 1.30 -0.03 0.00 -3.07 0.00 0.00 36.82 35.10 2ksh h ILE 74 CO -0.00 0.00 -1.74 1.23 -0.69 0.00 0.00 178.15 176.94 2ksh h GLY 75 N 2.03 0.19 -3.40 5.37 0.00 0.30 -3.35 103.07 104.21 2ksh h GLY 75 Ca 0.00 -0.48 -0.30 0.00 0.00 0.00 0.00 47.33 46.56 2ksh h GLY 75 CO 0.00 0.42 0.38 -0.37 0.00 0.00 0.00 176.54 176.96 2ksh n THR 76 N -3.32 2.56 -2.24 4.70 5.66 0.66 -4.87 114.28 117.43 2ksh n THR 76 Ca -0.22 -1.38 -0.12 0.00 -3.05 0.00 0.00 64.05 59.29 2ksh n THR 76 Cb 1.05 -0.52 -0.01 0.00 -1.55 0.00 0.00 70.33 69.29 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 -0.44 -0.19 0.00 1.09 0.00 -1.12 -4.87 105.19 99.65 2ksh n GLY 77 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.75 0.00 -2.66 4.61 0.00 0.15 -4.94 120.51 115.93 2ksh n ALA 78 Ca -0.14 -0.02 -0.36 0.00 0.00 0.00 0.00 53.44 52.93 2ksh n ALA 78 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.96 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 -2.58 4.39 -0.01 0.00 0.20 -1.01 -4.97 118.68 114.70 2ksh s LEU 79 Ca 0.00 0.71 -0.30 0.00 0.69 0.00 0.00 54.13 55.23 2ksh s LEU 79 Cb 0.00 -2.68 -0.06 0.00 -0.43 0.00 0.00 46.19 43.03 2ksh s LEU 79 CO 0.00 0.26 1.46 -2.16 -0.29 0.00 0.00 176.35 175.63 2ksh s PRO 80 N -1.56 4.25 0.58 0.98 0.04 -1.26 -3.78 135.00 134.24 2ksh s PRO 80 Ca 0.27 2.03 0.29 0.00 0.04 0.00 0.00 61.00 63.62 2ksh s PRO 80 Cb -0.14 -3.66 1.48 0.00 0.04 0.00 0.00 34.50 32.23 2ksh s PRO 80 CO 0.15 -0.65 1.91 0.00 0.04 0.00 0.00 177.00 178.45 2ksh h ALA 81 N 8.19 2.22 0.22 8.56 0.00 -1.95 -1.19 119.26 135.31 2ksh h ALA 81 Ca -0.38 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2ksh h ALA 81 Cb 1.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2ksh h ALA 81 CO 0.92 -0.71 -0.11 0.87 0.00 0.00 0.00 179.25 180.22 2ksh h LYS 82 N 0.00 -0.28 0.27 0.00 1.57 -1.99 -1.91 116.57 114.23 2ksh h LYS 82 Ca 0.22 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 2ksh h LYS 82 Cb 1.16 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 2ksh h LYS 82 CO -0.00 -0.02 -0.16 0.93 -0.57 0.00 0.00 179.45 179.63 2ksh h GLU 83 N -0.54 -0.39 -0.76 3.15 4.39 -1.62 0.46 114.58 119.27 2ksh h GLU 83 Ca -0.03 0.03 0.16 0.00 0.34 0.00 0.00 59.36 59.85 2ksh h GLU 83 Cb 0.40 0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 29.03 2ksh h GLU 83 CO 0.05 -0.26 0.27 0.00 -1.16 0.00 0.00 179.01 177.91 2ksh h ALA 84 N 0.31 1.07 -0.12 3.43 0.00 -1.50 0.19 119.26 122.64 2ksh h ALA 84 Ca -0.03 0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 2ksh h ALA 84 Cb 0.33 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2ksh h ALA 84 CO 0.04 -0.27 -0.47 1.98 0.00 0.00 0.00 179.25 180.53 2ksh h MET 85 N 0.38 0.30 0.00 0.00 4.05 -1.04 -0.98 114.93 117.64 2ksh h MET 85 Ca 0.43 -0.16 -0.06 0.00 -0.28 0.00 0.00 59.70 59.63 2ksh h MET 85 Cb 0.71 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.51 2ksh h MET 85 CO -0.45 0.71 -0.29 0.00 0.23 0.00 0.00 176.91 177.10 2ksh h ALA 86 N 1.27 1.01 -0.36 0.39 0.00 0.15 -2.63 119.26 119.09 2ksh h ALA 86 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2ksh h ALA 86 Cb 0.92 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2ksh h ALA 86 CO 0.08 0.36 0.00 1.04 0.00 0.00 0.00 179.25 180.73 2ksh n GLN 87 N -3.45 2.07 -1.64 0.00 1.13 0.37 -4.88 117.38 110.99 2ksh n GLN 87 Ca 0.00 -1.38 -0.18 0.00 -1.94 0.00 0.00 57.00 53.50 2ksh n GLN 87 Cb 0.47 -1.40 -0.07 0.00 0.11 0.00 0.00 30.24 29.35 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 0.53 -5.13 -0.46 1.08 9.92 -0.99 -4.84 116.55 116.66 2ksh n ASP 88 Ca 0.13 0.37 0.13 0.00 -0.53 0.00 0.00 54.79 54.88 2ksh n ASP 88 Cb 0.39 -4.18 0.36 0.00 -0.64 0.00 0.00 41.12 37.05 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 -2.52 1.41 -3.71 -1.24 5.02 -0.39 -4.87 118.16 111.85 2ksh n LYS 89 Ca -0.18 -0.93 -0.12 0.00 -2.02 0.00 0.00 58.31 55.05 2ksh n LYS 89 Cb 0.59 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 34.02 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 -2.23 0.53 0.17 1.97 0.00 -1.19 -4.44 119.30 114.10 2ksh s MET 90 Ca 0.30 0.70 0.08 0.00 0.00 0.00 0.00 55.69 56.77 2ksh s MET 90 Cb 0.20 0.21 -0.04 0.00 0.00 0.00 0.00 34.83 35.19 2ksh s MET 90 CO 0.42 -0.09 -0.18 -1.21 0.00 0.00 0.00 175.02 173.97 2ksh s GLU 91 N 0.52 1.28 -0.01 4.11 8.01 -0.96 -4.56 118.70 127.09 2ksh s GLU 91 Ca -0.02 -1.41 -0.01 0.00 0.01 0.00 0.00 54.97 53.54 2ksh s GLU 91 Cb -0.04 -1.33 0.00 0.00 -4.31 0.00 0.00 34.13 28.45 2ksh s GLU 91 CO -0.03 0.27 0.02 0.08 0.01 0.00 0.00 175.26 175.61 2ksh s VAL 92 N -2.08 -0.00 0.41 2.63 1.01 -1.26 -1.24 120.40 119.88 2ksh s VAL 92 Ca 0.16 0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.20 2ksh s VAL 92 Cb -0.06 -0.04 -0.06 0.00 0.00 0.00 0.00 36.38 36.23 2ksh s VAL 92 CO 0.07 0.00 0.03 -0.62 0.00 0.00 0.00 175.10 174.58 2ksh s ASP 93 N 0.06 3.52 0.44 3.32 -1.08 0.72 -4.96 116.67 118.69 2ksh s ASP 93 Ca -0.00 -1.47 0.00 0.00 -0.52 0.00 0.00 52.55 50.56 2ksh s ASP 93 Cb -0.01 -0.04 0.00 0.00 -1.46 0.00 0.00 42.92 41.42 2ksh s ASP 93 CO -0.00 -0.62 0.00 0.61 0.52 0.00 0.00 175.17 175.68 2ksh n GLY 94 N -0.97 1.49 3.29 2.66 0.00 -1.26 -2.29 105.19 108.10 2ksh n GLY 94 Ca -0.08 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 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 2.67 0.61 1.61 1.11 -1.24 -4.93 119.66 119.49 2ksh s GLN 95 Ca 0.00 -1.47 0.38 0.00 0.01 0.00 0.00 55.36 54.29 2ksh s GLN 95 Cb 0.00 -3.87 1.97 0.00 -1.01 0.00 0.00 33.01 30.10 2ksh s GLN 95 CO 0.00 -0.99 2.22 0.28 0.01 0.00 0.00 175.29 176.81 2ksh h VAL 96 N 6.01 0.13 -0.07 1.09 2.07 -1.94 -1.82 116.25 121.73 2ksh h VAL 96 Ca -0.24 -0.22 -0.19 0.00 0.82 0.00 0.00 66.70 66.87 2ksh h VAL 96 Cb 1.09 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2ksh h VAL 96 CO 0.79 0.02 -0.76 -0.08 0.02 0.00 0.00 177.57 177.56 2ksh h GLU 97 N 0.00 0.42 0.01 1.57 4.81 -1.99 -2.94 114.58 116.45 2ksh h GLU 97 Ca -0.00 -0.36 -0.00 0.00 -0.13 0.00 0.00 59.36 58.87 2ksh h GLU 97 Cb 0.18 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2ksh h GLU 97 CO 0.00 1.00 -0.00 -0.07 -0.73 0.00 0.00 179.01 179.21 2ksh h LEU 98 N 0.28 -0.01 -1.95 1.64 3.38 -1.78 -3.17 115.31 113.71 2ksh h LEU 98 Ca -0.04 -0.83 0.21 0.00 0.09 0.00 0.00 57.88 57.31 2ksh h LEU 98 Cb 1.35 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.07 2ksh h LEU 98 CO 0.13 0.85 0.52 0.16 0.09 0.00 0.00 178.44 180.19 2ksh h ILE 99 N -0.88 0.65 -0.11 1.22 3.07 -1.51 0.20 117.51 120.15 2ksh h ILE 99 Ca -0.00 -0.01 -0.17 0.00 1.55 0.00 0.00 64.86 66.23 2ksh h ILE 99 Cb 0.84 0.60 -0.01 0.00 -0.27 0.00 0.00 36.82 37.98 2ksh h ILE 99 CO 0.00 0.01 -0.65 0.15 -1.05 0.00 0.00 178.15 176.61 2ksh h PHE 100 N 0.04 0.54 0.00 0.16 3.57 -1.57 -2.81 116.94 116.88 2ksh h PHE 100 Ca 0.35 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2ksh h PHE 100 Cb 1.34 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.99 2ksh h PHE 100 CO -0.00 0.94 0.00 1.28 -2.23 0.00 0.00 178.31 178.30 2ksh n LEU 101 N -3.88 0.23 -0.01 0.59 4.77 0.69 -2.44 117.00 116.94 2ksh n LEU 101 Ca -0.04 0.56 -0.17 0.00 -0.03 0.00 0.00 56.01 56.33 2ksh n LEU 101 Cb 0.66 -0.54 -0.14 0.00 -2.33 0.00 0.00 43.42 41.07 2ksh n LEU 101 CO 0.47 -0.40 -0.76 0.18 -1.33 0.00 0.00 177.39 175.55 2ksh n LEU 102 N -1.76 2.07 -0.39 2.23 4.77 -1.07 -3.79 117.00 119.07 2ksh n LEU 102 Ca 0.03 0.25 -0.08 0.00 -0.03 0.00 0.00 56.01 56.17 2ksh n LEU 102 Cb 0.17 -0.69 -0.06 0.00 -2.33 0.00 0.00 43.42 40.51 2ksh n LEU 102 CO 0.14 0.71 0.51 -0.33 -1.33 0.00 0.00 177.39 177.10 2ksh h GLU 103 N 0.05 -0.02 0.00 3.23 5.08 -1.39 0.47 114.58 121.99 2ksh h GLU 103 Ca -0.39 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.90 2ksh h GLU 103 Cb 2.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.27 2ksh h GLU 103 CO 0.08 -0.01 -0.34 -1.00 -1.00 0.00 0.00 179.01 176.74 2ksh h PRO 104 N -0.02 0.00 0.00 2.33 0.13 -1.76 -2.67 132.00 130.00 2ksh h PRO 104 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 2ksh h PRO 104 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.61 2ksh h PRO 104 CO -0.94 0.34 0.00 0.34 -0.23 0.00 0.00 178.00 177.51 2ksh n PHE 105 N -3.69 0.54 0.19 1.56 -0.00 0.16 -2.52 117.46 113.69 2ksh n PHE 105 Ca -0.01 0.23 0.14 0.00 -0.00 0.00 0.00 57.45 57.81 2ksh n PHE 105 Cb 0.44 -0.87 0.73 0.00 -0.00 0.00 0.00 39.48 39.78 2ksh n PHE 105 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 2ksh h ILE 106 N 0.00 0.76 -0.12 -2.13 2.04 -0.95 0.39 117.51 117.50 2ksh h ILE 106 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 2ksh h ILE 106 Cb 0.24 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 2ksh h ILE 106 CO 0.00 0.00 0.19 0.00 0.00 0.00 0.00 178.15 178.34 2ksh h ALA 107 N 1.88 1.59 0.00 1.87 0.00 -1.73 -1.86 119.26 121.02 2ksh h ALA 107 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2ksh h ALA 107 Cb 0.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2ksh h ALA 107 CO -0.00 -0.25 -0.08 0.43 0.00 0.00 0.00 179.25 179.35 2ksh n SER 108 N -3.53 0.26 -3.20 0.00 7.64 -0.20 -5.03 113.62 109.56 2ksh n SER 108 Ca 0.00 -0.49 -0.15 0.00 1.01 0.00 0.00 58.87 59.24 2ksh n SER 108 Cb 0.29 1.00 0.08 0.00 -1.01 0.00 0.00 64.21 64.57 2ksh n SER 108 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2ksh n LEU 109 N -1.04 -3.97 -0.59 -3.43 4.32 -0.05 -4.93 117.00 107.32 2ksh n LEU 109 Ca 0.00 -0.57 0.07 0.00 -0.02 0.00 0.00 56.01 55.49 2ksh n LEU 109 Cb 0.01 -2.90 0.06 0.00 -1.62 0.00 0.00 43.42 38.97 2ksh n LEU 109 CO 0.01 0.33 0.48 0.29 -1.22 0.00 0.00 177.39 177.28