#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibm n ARG 3 N 0.00 -1.08 0.00 1.61 0.00 -1.26 -3.84 116.66 112.09 1ibm n ARG 3 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 57.85 57.95 1ibm n ARG 3 Cb 0.00 -3.86 0.00 0.00 -0.00 0.00 0.00 32.46 28.60 1ibm n ARG 3 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.63 178.61 1ibm n TYR 4 N -3.21 0.00 -2.95 2.89 9.36 -1.26 -4.77 117.16 117.22 1ibm n TYR 4 Ca 0.08 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.18 1ibm n TYR 4 Cb 0.38 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 39.10 1ibm n TYR 4 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1ibm n ILE 5 N 0.00 -9.96 -3.47 2.97 5.41 -1.25 -5.04 119.36 108.02 1ibm n ILE 5 Ca 0.00 0.80 0.00 0.00 1.00 0.00 0.00 62.75 64.55 1ibm n ILE 5 Cb 0.00 -6.68 0.00 0.00 -0.71 0.00 0.00 39.64 32.25 1ibm n ILE 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ibm n GLY 6 N -0.23 1.19 3.61 7.39 0.00 -1.26 -5.10 105.19 110.79 1ibm n GLY 6 Ca 0.08 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 1ibm n GLY 6 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ibm s PRO 7 N -1.85 3.40 -0.09 1.61 0.04 -1.26 -4.86 135.00 131.99 1ibm s PRO 7 Ca 0.00 2.09 -0.21 0.00 0.04 0.00 0.00 61.00 62.92 1ibm s PRO 7 Cb 0.00 -4.30 -0.17 0.00 0.04 0.00 0.00 34.50 30.07 1ibm s PRO 7 CO 0.00 -1.80 0.73 -0.39 0.04 0.00 0.00 177.00 175.58 1ibm h VAL 8 N 6.74 1.09 -0.19 -0.36 -1.51 -1.99 -3.38 116.25 116.65 1ibm h VAL 8 Ca -0.42 -1.54 -0.07 0.00 -1.23 0.00 0.00 66.70 63.45 1ibm h VAL 8 Cb 1.23 1.95 -0.01 0.00 -2.13 0.00 0.00 31.29 32.33 1ibm h VAL 8 CO 0.96 0.33 0.21 0.00 -1.23 0.00 0.00 177.57 177.84 1ibm n ARG 10 N 8.25 0.00 -0.07 0.00 1.85 -1.26 -4.83 116.66 120.60 1ibm n ARG 10 Ca 0.42 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 57.15 1ibm n ARG 10 Cb 0.46 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 31.73 1ibm n ARG 10 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1ibm n LEU 11 N -0.03 1.00 -0.26 2.89 4.77 0.10 -0.49 117.00 124.98 1ibm n LEU 11 Ca 0.00 0.13 0.04 0.00 -0.03 0.00 0.00 56.01 56.14 1ibm n LEU 11 Cb 0.00 0.01 0.17 0.00 -2.33 0.00 0.00 43.42 41.27 1ibm n LEU 11 CO 0.00 0.57 1.05 0.00 -1.33 0.00 0.00 177.39 177.68 1ibm h ARG 13 N 0.53 -0.46 -0.85 0.00 3.08 -1.83 -2.27 114.38 112.58 1ibm h ARG 13 Ca 0.39 0.03 0.18 0.00 0.07 0.00 0.00 59.98 60.65 1ibm h ARG 13 Cb 0.51 0.10 -0.11 0.00 0.08 0.00 0.00 29.97 30.56 1ibm h ARG 13 CO -0.34 -0.31 0.39 -0.09 -1.07 0.00 0.00 179.97 178.56 1ibm h ARG 14 N -1.11 0.47 -0.08 0.04 9.65 -0.62 0.72 114.38 123.44 1ibm h ARG 14 Ca -0.05 -0.03 -0.12 0.00 -1.10 0.00 0.00 59.98 58.68 1ibm h ARG 14 Cb 0.37 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 1ibm h ARG 14 CO 0.08 0.31 -0.51 1.49 2.80 0.00 0.00 179.97 184.15 1ibm h GLU 15 N 0.49 0.21 0.00 0.20 4.57 -0.94 -3.46 114.58 115.65 1ibm h GLU 15 Ca 0.50 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.56 1ibm h GLU 15 Cb 0.83 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.43 1ibm h GLU 15 CO -0.45 0.67 0.00 0.41 -1.18 0.00 0.00 179.01 178.47 1ibm n GLY 16 N 0.03 3.21 3.85 1.92 0.00 0.25 -5.02 105.19 109.43 1ibm n GLY 16 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1ibm n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibm s VAL 17 N -1.89 4.97 -0.25 1.61 1.01 -1.22 -4.93 120.40 119.69 1ibm s VAL 17 Ca 0.00 0.70 -0.30 0.00 0.00 0.00 0.00 61.98 62.39 1ibm s VAL 17 Cb 0.00 -3.70 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 1ibm s VAL 17 CO 0.00 0.34 2.23 1.17 0.00 0.00 0.00 175.10 178.83 1ibm n LYS 18 N 1.08 1.74 -4.60 2.72 4.81 -1.26 -4.71 118.16 117.93 1ibm n LYS 18 Ca -0.08 0.47 -0.34 0.00 -0.87 0.00 0.00 58.31 57.49 1ibm n LYS 18 Cb 0.52 -3.07 -0.11 0.00 0.02 0.00 0.00 35.03 32.38 1ibm n LYS 18 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1ibm s LEU 19 N 8.23 3.18 -0.36 3.14 0.20 -1.26 -5.08 118.68 126.72 1ibm s LEU 19 Ca 1.03 -0.03 -0.15 0.00 0.69 0.00 0.00 54.13 55.67 1ibm s LEU 19 Cb -0.45 -1.70 -0.01 0.00 -0.43 0.00 0.00 46.19 43.61 1ibm s LEU 19 CO 0.38 0.34 0.33 -0.31 -0.29 0.00 0.00 176.35 176.80 1ibm s TYR 20 N -0.66 3.21 0.00 5.38 4.12 -1.26 -4.86 117.35 123.28 1ibm s TYR 20 Ca 0.10 -0.18 0.14 0.00 0.02 0.00 0.00 57.07 57.14 1ibm s TYR 20 Cb -0.11 -2.64 0.23 0.00 -1.52 0.00 0.00 41.96 37.91 1ibm s TYR 20 CO 0.02 -0.46 1.06 1.28 0.02 0.00 0.00 175.55 177.46 1ibm n LEU 21 N 5.31 0.23 0.00 -1.29 4.77 -1.26 -4.85 117.00 119.92 1ibm n LEU 21 Ca -0.10 -1.82 0.00 0.00 -0.03 0.00 0.00 56.01 54.06 1ibm n LEU 21 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1ibm n LEU 21 CO 0.40 0.79 0.00 0.29 -1.33 0.00 0.00 177.39 177.55 1ibm n LYS 22 N 0.26 0.00 0.00 3.23 5.02 -1.26 -4.87 118.16 120.54 1ibm n LYS 22 Ca -0.05 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1ibm n LYS 22 Cb 0.92 -0.07 0.00 0.00 -0.02 0.00 0.00 35.03 35.86 1ibm n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ibm n GLY 23 N 0.00 2.60 3.34 0.72 0.00 -1.23 -4.60 105.19 106.01 1ibm n GLY 23 Ca 0.00 0.31 -0.32 0.00 0.00 0.00 0.00 46.02 46.01 1ibm n GLY 23 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ibm n GLU 24 N 5.87 -1.40 0.00 1.61 2.13 -1.26 -2.58 120.64 125.01 1ibm n GLU 24 Ca 0.00 -0.38 0.00 0.00 0.66 0.00 0.00 57.16 57.44 1ibm n GLU 24 Cb 0.00 -1.81 0.00 0.00 0.27 0.00 0.00 31.44 29.90 1ibm n GLU 24 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1ibm n ARG 25 N -2.42 0.00 0.00 5.31 0.63 -1.26 -4.14 116.66 114.78 1ibm n ARG 25 Ca 0.03 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.97 1ibm n ARG 25 Cb 0.59 0.00 0.07 0.00 0.45 0.00 0.00 32.46 33.57 1ibm n ARG 25 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ibm n TYR 27 N -0.73 0.00 -4.12 0.00 4.02 -1.18 -4.74 117.16 110.42 1ibm n TYR 27 Ca 0.02 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.56 1ibm n TYR 27 Cb 0.01 -0.14 -0.14 0.00 -0.02 0.00 0.00 39.34 39.04 1ibm n TYR 27 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1ibm s SER 28 N -3.65 4.15 0.00 7.72 1.04 0.72 -4.94 113.70 118.75 1ibm s SER 28 Ca -0.02 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1ibm s SER 28 Cb 0.01 -1.69 0.00 0.00 0.10 0.00 0.00 66.02 64.44 1ibm s SER 28 CO 0.11 0.03 0.00 -2.65 0.98 0.00 0.00 173.24 171.71 1ibm n PRO 29 N 4.47 0.00 0.00 4.02 -0.02 -1.26 -4.33 135.00 137.88 1ibm n PRO 29 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1ibm n PRO 29 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 1ibm n PRO 29 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ibm n LYS 30 N 0.00 0.00 0.00 -0.52 5.02 -1.25 -4.87 118.16 116.54 1ibm n LYS 30 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 1ibm n LYS 30 Cb 0.00 0.00 0.27 0.00 -0.02 0.00 0.00 35.03 35.28 1ibm n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ibm n ALA 32 N -0.94 0.00 0.60 0.00 0.00 -1.26 -4.73 120.51 114.17 1ibm n ALA 32 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1ibm n ALA 32 Cb 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.31 1ibm n ALA 32 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ibm n MET 33 N -1.84 0.30 -3.63 0.00 2.81 -1.26 -3.56 117.12 109.93 1ibm n MET 33 Ca 0.00 0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 55.50 1ibm n MET 33 Cb 0.00 -1.00 -0.11 0.00 -0.71 0.00 0.00 33.22 31.39 1ibm n MET 33 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1ibm s GLU 34 N -2.00 3.30 -0.67 0.03 8.01 -1.26 -4.36 118.70 121.75 1ibm s GLU 34 Ca 0.00 -0.75 -0.14 0.00 0.01 0.00 0.00 54.97 54.09 1ibm s GLU 34 Cb 0.00 -3.62 0.02 0.00 -4.31 0.00 0.00 34.13 26.22 1ibm s GLU 34 CO 0.00 -0.45 0.63 0.54 0.01 0.00 0.00 175.26 175.99 1ibm n ARG 35 N 5.00 -1.71 0.00 1.61 3.00 -1.26 -4.71 116.66 118.60 1ibm n ARG 35 Ca -0.13 1.14 0.00 0.00 -0.01 0.00 0.00 57.85 58.84 1ibm n ARG 35 Cb 0.49 -2.74 0.00 0.00 0.00 0.00 0.00 32.46 30.21 1ibm n ARG 35 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1ibm n ARG 36 N -1.59 0.00 0.00 5.56 0.63 -1.23 -5.03 116.66 114.99 1ibm n ARG 36 Ca -0.19 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.74 1ibm n ARG 36 Cb 0.66 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.57 1ibm n ARG 36 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1ibm n PRO 37 N 0.00 0.00 -2.79 -0.14 -0.02 -1.25 -4.66 135.00 126.14 1ibm n PRO 37 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.20 1ibm n PRO 37 Cb 0.00 -1.40 -0.01 0.00 -0.02 0.00 0.00 33.50 32.07 1ibm n PRO 37 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1ibm s TYR 38 N -1.78 3.53 1.03 6.00 -0.85 -1.26 -4.76 117.35 119.26 1ibm s TYR 38 Ca 0.00 0.85 -0.11 0.00 -0.52 0.00 0.00 57.07 57.28 1ibm s TYR 38 Cb 0.00 -2.31 0.21 0.00 0.38 0.00 0.00 41.96 40.24 1ibm s TYR 38 CO 0.00 -0.17 1.09 -1.25 -1.52 0.00 0.00 175.55 173.70 1ibm s PRO 39 N -4.35 0.09 0.87 -3.49 0.04 -1.26 -4.68 135.00 122.21 1ibm s PRO 39 Ca 0.48 1.19 -0.13 0.00 0.04 0.00 0.00 61.00 62.58 1ibm s PRO 39 Cb -0.10 -1.65 0.12 0.00 0.04 0.00 0.00 34.50 32.91 1ibm s PRO 39 CO 0.39 -3.15 1.22 -1.25 0.04 0.00 0.00 177.00 174.25 1ibm s PRO 40 N -4.57 1.46 0.00 0.56 0.04 -1.26 -4.04 135.00 127.19 1ibm s PRO 40 Ca 0.67 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.68 1ibm s PRO 40 Cb -0.24 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1ibm s PRO 40 CO 0.61 -1.92 0.00 0.41 0.04 0.00 0.00 177.00 176.15 1ibm n GLY 41 N -3.35 1.57 0.11 0.56 0.00 -1.26 -3.92 105.19 98.90 1ibm n GLY 41 Ca 0.10 -1.86 0.05 0.00 0.00 0.00 0.00 46.02 44.30 1ibm n GLY 41 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ibm n GLN 42 N 1.54 0.06 0.00 1.61 7.27 -1.26 -1.25 117.38 125.35 1ibm n GLN 42 Ca 0.00 0.48 0.02 0.00 0.07 0.00 0.00 57.00 57.58 1ibm n GLN 42 Cb 0.00 -1.96 0.01 0.00 2.41 0.00 0.00 30.24 30.70 1ibm n GLN 42 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1ibm n HIS 43 N -1.81 0.00 -0.32 3.69 8.25 -1.26 -4.81 115.22 118.96 1ibm n HIS 43 Ca -0.01 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.60 1ibm n HIS 43 Cb 0.27 0.00 0.29 0.00 1.12 0.00 0.00 29.99 31.68 1ibm n HIS 43 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ibm n GLY 44 N 0.32 -1.21 1.86 -1.41 0.00 -0.38 -1.01 105.19 103.35 1ibm n GLY 44 Ca 0.02 0.89 -0.17 0.00 0.00 0.00 0.00 46.02 46.76 1ibm n GLY 44 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ibm n GLN 45 N -5.34 1.86 -4.30 1.61 6.02 -1.26 -4.32 117.38 111.64 1ibm n GLN 45 Ca 0.23 -1.85 -0.29 0.00 -0.01 0.00 0.00 57.00 55.08 1ibm n GLN 45 Cb 0.75 -1.72 -0.11 0.00 1.02 0.00 0.00 30.24 30.17 1ibm n GLN 45 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1ibm s LYS 46 N -2.09 1.84 0.30 -1.09 1.02 -0.18 -5.09 119.74 114.44 1ibm s LYS 46 Ca 0.36 -1.15 -0.28 0.00 0.02 0.00 0.00 55.97 54.92 1ibm s LYS 46 Cb 0.29 -2.14 -0.14 0.00 -0.52 0.00 0.00 37.83 35.32 1ibm s LYS 46 CO 0.03 0.49 0.99 -2.13 -0.92 0.00 0.00 175.35 173.81 1ibm n ARG 47 N 0.81 1.31 -3.67 1.68 0.63 -1.26 -4.97 116.66 111.19 1ibm n ARG 47 Ca -0.15 0.46 -0.37 0.00 -0.92 0.00 0.00 57.85 56.86 1ibm n ARG 47 Cb 0.53 -1.83 -0.06 0.00 0.45 0.00 0.00 32.46 31.55 1ibm n ARG 47 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ibm s ALA 48 N -1.08 3.78 -0.01 5.13 0.00 -1.26 -5.09 121.76 123.24 1ibm s ALA 48 Ca 0.59 -0.41 -0.03 0.00 0.00 0.00 0.00 51.96 52.11 1ibm s ALA 48 Cb -0.70 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 1ibm s ALA 48 CO 0.60 0.55 0.20 1.03 0.00 0.00 0.00 175.76 178.13 1ibm s ARG 49 N -1.14 3.46 -0.77 0.00 0.52 -1.26 -4.97 118.95 114.79 1ibm s ARG 49 Ca 0.21 -0.27 -0.29 0.00 -0.52 0.00 0.00 55.73 54.86 1ibm s ARG 49 Cb -0.15 -3.09 -0.18 0.00 0.52 0.00 0.00 34.95 32.05 1ibm s ARG 49 CO 0.10 0.67 2.20 -2.13 0.02 0.00 0.00 175.30 176.16 1ibm n ARG 50 N 0.99 0.00 -1.50 3.54 0.63 -1.26 -4.82 116.66 114.24 1ibm n ARG 50 Ca -0.11 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.46 1ibm n ARG 50 Cb 0.53 -1.28 0.08 0.00 0.45 0.00 0.00 32.46 32.24 1ibm n ARG 50 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1ibm n PRO 51 N 7.06 0.76 -2.87 -0.14 -0.02 -1.26 -4.98 135.00 133.55 1ibm n PRO 51 Ca 0.54 0.32 -0.36 0.00 -2.02 0.00 0.00 63.50 61.98 1ibm n PRO 51 Cb 0.01 -2.40 -0.06 0.00 -0.02 0.00 0.00 33.50 31.03 1ibm n PRO 51 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1ibm s SER 52 N -1.57 7.21 0.41 2.55 1.04 -1.26 -4.85 113.70 117.23 1ibm s SER 52 Ca 0.78 1.71 0.32 0.00 0.48 0.00 0.00 55.95 59.23 1ibm s SER 52 Cb -0.36 -2.53 1.39 0.00 0.10 0.00 0.00 66.02 64.62 1ibm s SER 52 CO 0.45 -0.09 1.42 0.47 0.98 0.00 0.00 173.24 176.47 1ibm n ASP 53 N 0.41 0.16 0.25 7.02 9.92 -1.26 0.12 116.55 133.17 1ibm n ASP 53 Ca 0.02 1.21 -0.10 0.00 -0.53 0.00 0.00 54.79 55.38 1ibm n ASP 53 Cb 0.51 -0.59 -0.05 0.00 -0.64 0.00 0.00 41.12 40.35 1ibm n ASP 53 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 1ibm h TYR 54 N 0.00 -0.62 -0.79 1.24 3.20 -1.99 -2.15 116.97 115.86 1ibm h TYR 54 Ca 0.81 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.79 1ibm h TYR 54 Cb 2.70 0.21 -0.13 0.00 1.54 0.00 0.00 36.73 41.04 1ibm h TYR 54 CO -0.00 -0.39 -0.28 0.00 -1.64 0.00 0.00 178.16 175.85 1ibm n ALA 55 N -2.59 -0.03 -0.21 1.82 0.00 0.31 0.13 120.51 119.95 1ibm n ALA 55 Ca -0.08 0.81 0.00 0.00 0.00 0.00 0.00 53.44 54.16 1ibm n ALA 55 Cb 0.27 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.32 1ibm n ALA 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ibm n VAL 56 N -5.19 0.00 -0.35 0.00 0.31 -0.43 0.61 118.33 113.28 1ibm n VAL 56 Ca 0.09 1.40 0.07 0.00 -0.01 0.00 0.00 64.34 65.89 1ibm n VAL 56 Cb 0.34 -2.22 0.16 0.00 -0.91 0.00 0.00 33.84 31.20 1ibm n VAL 56 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1ibm h ARG 57 N 0.00 0.00 0.29 5.55 -0.00 0.19 -0.06 114.38 120.35 1ibm h ARG 57 Ca 0.00 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.47 1ibm h ARG 57 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 29.97 29.96 1ibm h ARG 57 CO 0.00 0.00 -0.27 1.25 0.00 0.00 0.00 179.97 180.96 1ibm h LEU 58 N 0.00 -0.72 -0.37 3.04 7.12 0.16 -2.67 115.31 121.88 1ibm h LEU 58 Ca 0.48 0.05 0.08 0.00 0.13 0.00 0.00 57.88 58.63 1ibm h LEU 58 Cb 0.78 0.23 -0.09 0.00 -0.53 0.00 0.00 40.66 41.06 1ibm h LEU 58 CO -0.98 -0.36 -0.28 0.03 -0.13 0.00 0.00 178.44 176.72 1ibm h ARG 59 N -0.55 -0.21 -0.68 1.25 2.47 0.17 -1.54 114.38 115.28 1ibm h ARG 59 Ca -0.04 0.01 0.11 0.00 -1.26 0.00 0.00 59.98 58.80 1ibm h ARG 59 Cb 0.47 0.05 -0.12 0.00 -1.65 0.00 0.00 29.97 28.72 1ibm h ARG 59 CO -0.02 -0.14 -0.40 1.49 0.56 0.00 0.00 179.97 181.46 1ibm h GLU 60 N -0.22 -0.14 0.79 0.04 4.57 -1.01 0.10 114.58 118.70 1ibm h GLU 60 Ca 0.17 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.33 1ibm h GLU 60 Cb 0.50 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1ibm h GLU 60 CO -0.50 -0.10 -0.49 -0.22 -1.18 0.00 0.00 179.01 176.53 1ibm h LYS 61 N -0.15 -1.16 -0.79 1.92 3.64 -1.06 -2.37 116.57 116.61 1ibm h LYS 61 Ca 0.23 0.08 0.12 0.00 -1.27 0.00 0.00 60.65 59.81 1ibm h LYS 61 Cb 0.56 0.26 -0.12 0.00 -0.41 0.00 0.00 32.23 32.52 1ibm h LYS 61 CO -0.76 -0.77 -0.32 1.04 -2.27 0.00 0.00 179.45 176.37 1ibm n GLN 62 N -5.56 -0.20 0.00 1.90 1.13 -0.63 -0.66 117.38 113.36 1ibm n GLN 62 Ca -0.15 1.21 0.00 0.00 -1.94 0.00 0.00 57.00 56.12 1ibm n GLN 62 Cb 0.50 -1.80 0.00 0.00 0.11 0.00 0.00 30.24 29.05 1ibm n GLN 62 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1ibm n LYS 63 N -5.14 0.00 -0.27 -1.09 4.81 0.27 0.33 118.16 117.06 1ibm n LYS 63 Ca 0.07 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 1ibm n LYS 63 Cb 0.31 -1.00 0.04 0.00 0.02 0.00 0.00 35.03 34.39 1ibm n LYS 63 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1ibm n LEU 64 N -0.79 -0.42 0.00 3.14 -0.00 -0.58 0.10 117.00 118.45 1ibm n LEU 64 Ca 0.00 1.23 -0.13 0.00 -0.00 0.00 0.00 56.01 57.11 1ibm n LEU 64 Cb 0.00 -0.30 -0.09 0.00 -0.00 0.00 0.00 43.42 43.03 1ibm n LEU 64 CO 0.00 -1.12 0.69 -0.09 -0.00 0.00 0.00 177.39 176.87 1ibm h ARG 65 N 0.00 -0.01 -0.06 1.96 2.43 -0.67 -2.84 114.38 115.19 1ibm h ARG 65 Ca 0.26 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.45 1ibm h ARG 65 Cb 0.44 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1ibm h ARG 65 CO -0.71 0.36 0.39 0.00 -1.51 0.00 0.00 179.97 178.50 1ibm h ARG 66 N -0.38 0.00 0.00 0.20 3.08 1.25 -2.23 114.38 116.29 1ibm h ARG 66 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ibm h ARG 66 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1ibm h ARG 66 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 179.97 178.01 1ibm n ILE 67 N -2.98 0.00 0.00 2.04 5.41 0.78 -3.27 119.36 121.34 1ibm n ILE 67 Ca -0.01 0.81 0.00 0.00 1.00 0.00 0.00 62.75 64.55 1ibm n ILE 67 Cb 0.45 -1.60 0.00 0.00 -0.71 0.00 0.00 39.64 37.78 1ibm n ILE 67 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1ibm n TYR 68 N -1.36 0.00 -3.26 1.39 4.02 -0.91 -4.77 117.16 112.28 1ibm n TYR 68 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.69 1ibm n TYR 68 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.28 1ibm n TYR 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ibm n GLY 69 N -0.46 -0.38 3.95 2.72 0.00 -0.89 -4.91 105.19 105.23 1ibm n GLY 69 Ca 0.00 0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1ibm n GLY 69 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ibm s ILE 70 N -2.38 5.18 0.16 -0.61 2.07 -1.25 -4.75 121.20 119.62 1ibm s ILE 70 Ca 0.40 -0.60 -0.30 0.00 -1.41 0.00 0.00 60.65 58.74 1ibm s ILE 70 Cb -0.23 -3.83 -0.07 0.00 0.13 0.00 0.00 42.46 38.46 1ibm s ILE 70 CO 0.49 -0.38 1.07 -0.94 -1.91 0.00 0.00 174.94 173.27 1ibm s SER 71 N -3.78 7.32 0.43 4.50 1.04 -1.26 -4.84 113.70 117.11 1ibm s SER 71 Ca 0.38 2.02 0.29 0.00 0.48 0.00 0.00 55.95 59.12 1ibm s SER 71 Cb -0.10 -2.60 1.40 0.00 0.10 0.00 0.00 66.02 64.82 1ibm s SER 71 CO 0.32 -0.18 1.63 -0.08 0.98 0.00 0.00 173.24 175.91 1ibm h GLU 72 N 5.23 0.10 0.00 4.02 4.57 -1.98 0.36 114.58 126.89 1ibm h GLU 72 Ca -0.44 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 1ibm h GLU 72 Cb 1.21 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1ibm h GLU 72 CO 0.72 0.07 0.00 -2.13 -1.18 0.00 0.00 179.01 176.49 1ibm n ARG 73 N -4.71 0.00 -0.33 1.92 3.00 -1.26 -0.30 116.66 114.98 1ibm n ARG 73 Ca 0.36 0.39 0.14 0.00 -0.00 0.00 0.00 57.85 58.75 1ibm n ARG 73 Cb 1.39 -1.35 0.29 0.00 0.00 0.00 0.00 32.46 32.79 1ibm n ARG 73 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1ibm h GLN 74 N 0.00 0.04 0.53 -0.14 4.20 -1.20 -0.12 115.11 118.43 1ibm h GLN 74 Ca 0.00 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1ibm h GLN 74 Cb 0.00 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.78 1ibm h GLN 74 CO 0.00 0.03 -0.26 0.35 -0.67 0.00 0.00 178.83 178.28 1ibm h PHE 75 N 0.04 -0.66 -0.47 2.96 3.57 -0.39 -1.62 116.94 120.37 1ibm h PHE 75 Ca 0.59 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 62.13 1ibm h PHE 75 Cb 1.22 0.22 -0.05 0.00 2.79 0.00 0.00 35.95 40.12 1ibm h PHE 75 CO -0.44 -0.38 0.16 -0.09 -2.23 0.00 0.00 178.31 175.33 1ibm h ARG 76 N -0.78 0.32 -0.53 1.11 9.65 0.10 0.59 114.38 124.84 1ibm h ARG 76 Ca -0.07 -0.02 0.03 0.00 -1.10 0.00 0.00 59.98 58.81 1ibm h ARG 76 Cb 0.58 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 29.06 1ibm h ARG 76 CO 0.12 0.21 0.35 -0.91 2.80 0.00 0.00 179.97 182.55 1ibm h ASN 77 N 0.33 0.54 -0.36 -3.80 2.35 -1.04 -0.35 115.58 113.26 1ibm h ASN 77 Ca 0.22 -0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.81 1ibm h ASN 77 Cb 0.23 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1ibm h ASN 77 CO -0.23 0.38 -0.37 -0.07 -1.65 0.00 0.00 177.43 175.49 1ibm h LEU 78 N 0.63 0.95 -1.10 1.61 3.38 -0.05 -1.36 115.31 119.37 1ibm h LEU 78 Ca 0.21 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1ibm h LEU 78 Cb 0.06 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 1ibm h LEU 78 CO -0.05 1.23 0.43 0.15 0.09 0.00 0.00 178.44 180.28 1ibm h PHE 79 N 0.69 1.03 -0.43 1.13 3.57 0.10 0.15 116.94 123.18 1ibm h PHE 79 Ca 0.06 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 1ibm h PHE 79 Cb 0.96 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1ibm h PHE 79 CO 0.07 0.71 -0.09 0.93 -2.23 0.00 0.00 178.31 177.69 1ibm h GLU 80 N 1.07 0.83 -0.19 1.11 4.39 -0.79 0.14 114.58 121.13 1ibm h GLU 80 Ca 0.27 -0.31 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1ibm h GLU 80 Cb 0.01 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 1ibm h GLU 80 CO -0.05 0.94 0.11 1.49 -1.16 0.00 0.00 179.01 180.35 1ibm h GLU 81 N 0.66 0.26 -0.88 2.33 4.81 -0.57 -0.56 114.58 120.64 1ibm h GLU 81 Ca 0.11 -0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.41 1ibm h GLU 81 Cb 0.63 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.88 1ibm h GLU 81 CO 0.04 0.23 0.53 0.00 -0.73 0.00 0.00 179.01 179.08 1ibm h ALA 82 N 1.02 1.27 -0.63 2.92 0.00 -0.82 0.68 119.26 123.71 1ibm h ALA 82 Ca 0.07 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1ibm h ALA 82 Cb 0.04 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1ibm h ALA 82 CO -0.01 0.16 0.42 0.77 0.00 0.00 0.00 179.25 180.58 1ibm h SER 83 N 0.88 0.52 0.03 0.00 0.02 0.75 -2.87 113.55 112.88 1ibm h SER 83 Ca 0.42 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.32 1ibm h SER 83 Cb 0.37 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 62.81 1ibm h SER 83 CO -0.24 0.33 -0.23 0.11 -1.14 0.00 0.00 176.83 175.66 1ibm h LYS 84 N 0.59 0.10 -6.49 3.45 1.57 0.37 -3.47 116.57 112.69 1ibm h LYS 84 Ca 0.27 -0.15 -0.55 0.00 -1.87 0.00 0.00 60.65 58.35 1ibm h LYS 84 Cb 0.32 0.05 0.21 0.00 0.08 0.00 0.00 32.23 32.89 1ibm h LYS 84 CO -0.08 1.02 -0.86 1.63 -0.57 0.00 0.00 179.45 180.58 1ibm n LYS 85 N -4.49 -0.00 -0.68 3.15 5.02 -0.33 -4.96 118.16 115.88 1ibm n LYS 85 Ca -0.11 0.03 -0.22 0.00 -2.02 0.00 0.00 58.31 56.00 1ibm n LYS 85 Cb 0.55 -1.58 0.19 0.00 -0.02 0.00 0.00 35.03 34.17 1ibm n LYS 85 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ibm n LYS 86 N -0.13 -2.78 -0.79 1.97 5.02 -1.26 -4.87 118.16 115.32 1ibm n LYS 86 Ca 0.06 -1.25 0.11 0.00 -2.02 0.00 0.00 58.31 55.21 1ibm n LYS 86 Cb 0.52 -1.22 -0.03 0.00 -0.02 0.00 0.00 35.03 34.29 1ibm n LYS 86 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ibm n GLY 87 N -3.00 -1.85 3.68 0.72 0.00 -1.26 -4.72 105.19 98.75 1ibm n GLY 87 Ca 0.11 -1.24 -0.46 0.00 0.00 0.00 0.00 46.02 44.43 1ibm n GLY 87 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ibm n VAL 88 N -2.87 0.54 -0.36 1.61 0.31 -1.26 -4.85 118.33 111.45 1ibm n VAL 88 Ca 0.01 -0.10 0.06 0.00 -0.01 0.00 0.00 64.34 64.30 1ibm n VAL 88 Cb 0.36 -1.96 0.23 0.00 -0.91 0.00 0.00 33.84 31.56 1ibm n VAL 88 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1ibm h THR 89 N 5.23 0.96 0.41 2.52 2.02 -1.84 -2.91 112.91 119.29 1ibm h THR 89 Ca -0.48 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.32 1ibm h THR 89 Cb 1.26 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1ibm h THR 89 CO 0.94 0.19 -0.23 1.23 0.37 0.00 0.00 175.52 178.02 1ibm h GLY 90 N 1.03 -0.72 -0.13 2.16 0.00 -1.92 -2.73 103.07 100.77 1ibm h GLY 90 Ca 0.48 0.29 0.03 0.00 0.00 0.00 0.00 47.33 48.13 1ibm h GLY 90 CO -0.24 -0.25 -0.54 1.48 0.00 0.00 0.00 176.54 176.99 1ibm h SER 91 N -0.59 -1.71 -0.72 0.19 4.64 -1.96 -1.20 113.55 112.21 1ibm h SER 91 Ca -0.06 0.20 0.13 0.00 -0.47 0.00 0.00 61.79 61.59 1ibm h SER 91 Cb 0.46 0.67 -0.13 0.00 -0.31 0.00 0.00 62.40 63.09 1ibm h SER 91 CO 0.07 -0.48 -0.23 0.52 -0.87 0.00 0.00 176.83 175.84 1ibm n VAL 92 N -5.39 -0.34 0.09 0.95 0.31 -1.10 -0.34 118.33 112.51 1ibm n VAL 92 Ca -0.06 1.67 -0.11 0.00 -0.01 0.00 0.00 64.34 65.83 1ibm n VAL 92 Cb 0.37 -2.25 -0.07 0.00 -0.91 0.00 0.00 33.84 30.98 1ibm n VAL 92 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1ibm h PHE 93 N 0.00 -1.02 -0.88 3.52 -0.00 -0.89 0.11 116.94 117.78 1ibm h PHE 93 Ca 0.30 0.02 0.18 0.00 -0.00 0.00 0.00 57.97 58.47 1ibm h PHE 93 Cb 0.48 0.43 -0.11 0.00 -0.00 0.00 0.00 35.95 36.75 1ibm h PHE 93 CO -0.60 -0.41 0.44 -0.07 -0.00 0.00 0.00 178.31 177.67 1ibm h LEU 94 N -0.53 0.48 0.23 0.59 3.38 -0.43 0.32 115.31 119.34 1ibm h LEU 94 Ca -0.01 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1ibm h LEU 94 Cb 0.52 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 1ibm h LEU 94 CO -0.17 0.14 -0.49 1.23 0.09 0.00 0.00 178.44 179.24 1ibm h GLY 95 N 0.55 -1.19 0.71 0.83 0.00 0.57 0.75 103.07 105.28 1ibm h GLY 95 Ca 0.51 0.62 0.07 0.00 0.00 0.00 0.00 47.33 48.53 1ibm h GLY 95 CO -0.43 -0.31 0.57 1.41 0.00 0.00 0.00 176.54 177.79 1ibm h LEU 96 N -0.79 0.91 -0.36 3.11 4.07 0.57 -0.90 115.31 121.92 1ibm h LEU 96 Ca -0.02 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1ibm h LEU 96 Cb 0.75 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.30 1ibm h LEU 96 CO -0.20 0.57 0.19 -0.07 -1.08 0.00 0.00 178.44 177.85 1ibm h LEU 97 N 1.04 0.45 0.00 1.67 3.38 0.21 -2.18 115.31 119.87 1ibm h LEU 97 Ca 0.40 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1ibm h LEU 97 Cb 0.19 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1ibm h LEU 97 CO -0.18 0.41 0.00 1.21 0.09 0.00 0.00 178.44 179.97 1ibm n GLU 98 N -4.76 0.26 0.00 1.13 4.07 0.26 -2.58 120.64 119.01 1ibm n GLU 98 Ca -0.01 0.12 0.12 0.00 -0.06 0.00 0.00 57.16 57.34 1ibm n GLU 98 Cb 0.08 -1.50 0.17 0.00 -0.06 0.00 0.00 31.44 30.13 1ibm n GLU 98 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1ibm n SER 99 N -1.22 2.65 -4.69 4.31 7.64 -0.55 -4.54 113.62 117.23 1ibm n SER 99 Ca 0.08 -1.87 -0.42 0.00 1.01 0.00 0.00 58.87 57.67 1ibm n SER 99 Cb 0.10 0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.31 1ibm n SER 99 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1ibm s ARG 100 N -2.04 4.20 0.29 1.43 0.52 -1.07 -0.98 118.95 121.31 1ibm s ARG 100 Ca 0.29 2.29 0.04 0.00 -0.52 0.00 0.00 55.73 57.83 1ibm s ARG 100 Cb 0.20 -3.64 0.70 0.00 0.52 0.00 0.00 34.95 32.72 1ibm s ARG 100 CO 0.33 -0.73 1.77 1.25 0.02 0.00 0.00 175.30 177.93 1ibm h LEU 101 N 8.74 0.71 -1.55 2.53 6.46 -0.84 0.87 115.31 132.23 1ibm h LEU 101 Ca -0.42 0.10 0.04 0.00 -0.12 0.00 0.00 57.88 57.48 1ibm h LEU 101 Cb 1.20 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 41.08 1ibm h LEU 101 CO 0.93 0.25 0.35 -2.24 -0.62 0.00 0.00 178.44 177.11 1ibm h ASP 102 N 0.71 0.51 0.48 1.25 3.04 -1.78 0.12 116.42 120.75 1ibm h ASP 102 Ca 0.55 -0.01 -0.02 0.00 -3.24 0.00 0.00 57.03 54.32 1ibm h ASP 102 Cb 0.86 -0.12 0.00 0.00 -1.04 0.00 0.00 39.33 39.04 1ibm h ASP 102 CO -0.39 0.35 -0.23 -1.13 -2.04 0.00 0.00 179.24 175.80 1ibm h ASN 103 N 0.59 -0.55 -0.75 4.15 -1.24 0.33 -2.78 115.58 115.33 1ibm h ASN 103 Ca 0.22 -0.03 0.16 0.00 0.71 0.00 0.00 56.30 57.36 1ibm h ASN 103 Cb 0.13 0.14 -0.14 0.00 0.73 0.00 0.00 38.32 39.18 1ibm h ASN 103 CO -0.06 -0.13 -0.11 0.58 -1.29 0.00 0.00 177.43 176.43 1ibm h VAL 104 N -1.13 0.28 -0.93 2.57 2.07 -0.33 0.88 116.25 119.67 1ibm h VAL 104 Ca -0.07 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.54 1ibm h VAL 104 Cb 0.54 0.24 -0.08 0.00 -1.52 0.00 0.00 31.29 30.48 1ibm h VAL 104 CO 0.11 0.01 0.57 0.58 0.02 0.00 0.00 177.57 178.85 1ibm h VAL 105 N 0.04 0.95 0.34 2.57 2.07 -0.82 0.74 116.25 122.13 1ibm h VAL 105 Ca 0.38 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 1ibm h VAL 105 Cb 0.63 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1ibm h VAL 105 CO -0.73 0.17 -0.16 0.22 0.02 0.00 0.00 177.57 177.09 1ibm h TYR 106 N 0.94 -0.42 -0.28 1.57 3.20 0.72 -2.94 116.97 119.77 1ibm h TYR 106 Ca 0.44 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.34 1ibm h TYR 106 Cb 0.38 0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.72 1ibm h TYR 106 CO -0.03 -0.12 -0.45 0.00 -1.64 0.00 0.00 178.16 175.92 1ibm h ARG 107 N -0.72 -0.35 0.00 1.82 2.47 0.13 -0.52 114.38 117.21 1ibm h ARG 107 Ca -0.05 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1ibm h ARG 107 Cb 0.49 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 1ibm h ARG 107 CO 0.08 -0.23 0.03 1.28 0.56 0.00 0.00 179.97 181.69 1ibm n LEU 108 N -4.88 0.00 0.00 3.04 4.77 0.25 -4.82 117.00 115.35 1ibm n LEU 108 Ca -0.03 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1ibm n LEU 108 Cb 0.29 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1ibm n LEU 108 CO 0.02 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.52 1ibm n GLY 109 N -1.12 3.15 0.40 -0.72 0.00 -0.20 -4.92 105.19 101.78 1ibm n GLY 109 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.24 1ibm n GLY 109 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ibm h PHE 110 N 0.00 0.70 -3.32 1.61 0.04 -1.75 -3.40 116.94 110.82 1ibm h PHE 110 Ca 0.00 0.02 -0.65 0.00 2.80 0.00 0.00 57.97 60.15 1ibm h PHE 110 Cb 0.00 -0.20 -0.11 0.00 2.20 0.00 0.00 35.95 37.83 1ibm h PHE 110 CO 0.00 0.08 -0.65 0.00 -0.60 0.00 0.00 178.31 177.13 1ibm s ALA 111 N -5.52 3.34 -0.10 2.45 0.00 -1.21 -4.64 121.76 116.09 1ibm s ALA 111 Ca -0.09 -1.09 0.14 0.00 0.00 0.00 0.00 51.96 50.92 1ibm s ALA 111 Cb 0.25 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 1ibm s ALA 111 CO 0.80 0.71 1.26 0.28 0.00 0.00 0.00 175.76 178.80 1ibm h VAL 112 N 2.83 0.92 -4.07 0.00 2.07 -1.90 -3.44 116.25 112.66 1ibm h VAL 112 Ca -0.47 -2.38 -0.11 0.00 0.82 0.00 0.00 66.70 64.56 1ibm h VAL 112 Cb 1.16 2.41 -0.15 0.00 -1.52 0.00 0.00 31.29 33.19 1ibm h VAL 112 CO 0.61 0.53 -0.56 -0.94 0.02 0.00 0.00 177.57 177.22 1ibm s SER 113 N -6.34 0.35 0.18 0.57 1.04 -1.26 -3.55 113.70 104.69 1ibm s SER 113 Ca 0.02 -0.86 -0.13 0.00 0.48 0.00 0.00 55.95 55.46 1ibm s SER 113 Cb 0.08 0.25 0.12 0.00 0.10 0.00 0.00 66.02 66.57 1ibm s SER 113 CO 0.77 -0.64 1.82 0.03 0.98 0.00 0.00 173.24 176.20 1ibm h ARG 114 N 3.02 0.62 0.37 4.02 3.08 -1.91 -0.46 114.38 123.13 1ibm h ARG 114 Ca -0.34 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.67 1ibm h ARG 114 Cb 1.16 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.05 1ibm h ARG 114 CO 0.62 0.41 -0.43 0.00 -1.07 0.00 0.00 179.97 179.50 1ibm h ARG 115 N 0.64 -0.81 -0.97 0.04 3.08 -1.94 -1.60 114.38 112.82 1ibm h ARG 115 Ca 0.22 0.06 0.14 0.00 0.07 0.00 0.00 59.98 60.47 1ibm h ARG 115 Cb 0.03 0.18 -0.08 0.00 0.08 0.00 0.00 29.97 30.18 1ibm h ARG 115 CO -0.10 -0.54 0.61 0.37 -1.07 0.00 0.00 179.97 179.24 1ibm h GLN 116 N -0.84 0.84 -0.80 0.04 4.15 -1.86 -0.31 115.11 116.33 1ibm h GLN 116 Ca -0.03 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 1ibm h GLN 116 Cb 0.76 -0.19 -0.04 0.00 0.21 0.00 0.00 27.48 28.23 1ibm h GLN 116 CO -0.10 0.55 0.34 0.00 -1.93 0.00 0.00 178.83 177.69 1ibm h ALA 117 N 1.58 1.03 -0.68 3.38 0.00 -0.63 -2.35 119.26 121.60 1ibm h ALA 117 Ca 0.50 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.36 1ibm h ALA 117 Cb 0.64 -0.31 -0.10 0.00 0.00 0.00 0.00 17.79 18.02 1ibm h ALA 117 CO -0.27 0.64 0.18 -0.09 0.00 0.00 0.00 179.25 179.71 1ibm h ARG 118 N 1.15 0.29 -0.08 0.00 2.43 -0.07 -1.08 114.38 117.02 1ibm h ARG 118 Ca 0.27 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 1ibm h ARG 118 Cb 0.19 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1ibm h ARG 118 CO -0.03 0.19 0.02 0.37 -1.51 0.00 0.00 179.97 179.02 1ibm h GLN 119 N 0.30 0.12 -0.40 0.20 4.15 -1.31 -0.99 115.11 117.18 1ibm h GLN 119 Ca 0.37 -0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.88 1ibm h GLN 119 Cb 0.57 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.23 1ibm h GLN 119 CO -0.44 0.28 0.47 -0.07 -1.93 0.00 0.00 178.83 177.13 1ibm h LEU 120 N -0.06 0.00 0.03 -2.39 3.38 -0.77 0.71 115.31 116.20 1ibm h LEU 120 Ca 0.02 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 1ibm h LEU 120 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1ibm h LEU 120 CO -0.00 0.00 -0.63 0.58 0.09 0.00 0.00 178.44 178.47 1ibm h VAL 121 N 0.00 1.41 -0.05 1.22 2.07 -0.57 -1.83 116.25 118.49 1ibm h VAL 121 Ca 0.19 -2.32 0.01 0.00 0.82 0.00 0.00 66.70 65.40 1ibm h VAL 121 Cb 1.12 2.94 -0.01 0.00 -1.52 0.00 0.00 31.29 33.82 1ibm h VAL 121 CO -0.00 0.54 -0.03 0.03 0.02 0.00 0.00 177.57 178.13 1ibm h ARG 122 N -0.85 -0.03 -1.27 1.57 2.47 0.26 -1.95 114.38 114.58 1ibm h ARG 122 Ca -0.16 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.57 1ibm h ARG 122 Cb 1.25 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 1ibm h ARG 122 CO -0.04 -0.02 0.00 0.72 0.56 0.00 0.00 179.97 181.19 1ibm n HIS 123 N -5.14 0.00 0.00 3.04 8.25 0.23 -4.77 115.22 116.82 1ibm n HIS 123 Ca -0.06 -0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.09 1ibm n HIS 123 Cb 0.08 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 30.99 1ibm n HIS 123 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ibm n GLY 124 N 0.62 0.00 0.00 -1.41 0.00 -0.73 -4.74 105.19 98.93 1ibm n GLY 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ibm n GLY 124 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ibm n HIS 125 N -1.27 0.00 -3.95 1.61 8.25 -0.71 -4.54 115.22 114.61 1ibm n HIS 125 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.22 1ibm n HIS 125 Cb 0.00 -0.17 -0.05 0.00 1.12 0.00 0.00 29.99 30.90 1ibm n HIS 125 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1ibm s ILE 126 N -2.25 2.19 -0.28 1.59 -1.09 -1.08 0.71 121.20 120.99 1ibm s ILE 126 Ca 0.00 -1.56 -0.24 0.00 -2.23 0.00 0.00 60.65 56.61 1ibm s ILE 126 Cb 0.00 -2.75 0.10 0.00 -1.58 0.00 0.00 42.46 38.23 1ibm s ILE 126 CO 0.00 0.00 0.91 0.28 -1.23 0.00 0.00 174.94 174.90 1ibm s THR 127 N -2.62 0.00 -0.37 2.92 -1.32 -0.95 -4.11 115.64 109.19 1ibm s THR 127 Ca 0.40 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.85 1ibm s THR 127 Cb 0.00 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 70.08 1ibm s THR 127 CO 0.23 0.00 0.13 -0.69 -2.21 0.00 0.00 174.62 172.08 1ibm s VAL 128 N 0.37 3.26 -1.06 5.08 1.01 -0.51 0.02 120.40 128.57 1ibm s VAL 128 Ca 0.01 -1.73 -0.03 0.00 0.00 0.00 0.00 61.98 60.23 1ibm s VAL 128 Cb -0.05 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1ibm s VAL 128 CO -0.04 -0.45 0.40 0.59 0.00 0.00 0.00 175.10 175.60 1ibm n ASN 129 N 4.63 -4.64 0.00 3.32 3.02 0.09 -2.46 115.26 119.22 1ibm n ASN 129 Ca -0.07 -0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 1ibm n ASN 129 Cb 0.42 -3.52 0.00 0.00 -0.61 0.00 0.00 39.78 36.08 1ibm n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ibm n GLY 130 N -1.27 2.33 3.72 7.41 0.00 -1.26 -4.95 105.19 111.16 1ibm n GLY 130 Ca -0.08 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1ibm n GLY 130 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ibm s ARG 131 N 0.00 4.25 0.77 1.61 6.06 -1.03 -4.96 118.95 125.65 1ibm s ARG 131 Ca 0.00 2.27 -0.11 0.00 -2.50 0.00 0.00 55.73 55.39 1ibm s ARG 131 Cb 0.00 -3.21 0.06 0.00 0.06 0.00 0.00 34.95 31.86 1ibm s ARG 131 CO 0.00 -0.56 1.09 0.50 -2.50 0.00 0.00 175.30 173.83 1ibm s ARG 132 N 1.21 2.26 -0.29 5.12 3.52 -1.26 -1.42 118.95 128.09 1ibm s ARG 132 Ca 0.69 1.11 -0.13 0.00 -0.13 0.00 0.00 55.73 57.26 1ibm s ARG 132 Cb -0.41 -1.90 0.11 0.00 -1.56 0.00 0.00 34.95 31.18 1ibm s ARG 132 CO 0.31 -1.62 0.69 0.08 -0.81 0.00 0.00 175.30 173.94 1ibm s VAL 133 N -2.93 -0.48 -0.21 7.11 1.01 -1.26 -4.77 120.40 118.87 1ibm s VAL 133 Ca 0.61 0.00 0.13 0.00 0.00 0.00 0.00 61.98 62.72 1ibm s VAL 133 Cb -0.17 -1.00 0.44 0.00 0.00 0.00 0.00 36.38 35.65 1ibm s VAL 133 CO 0.56 0.00 1.19 -0.90 0.00 0.00 0.00 175.10 175.95 1ibm n ASP 134 N 4.85 2.56 -4.09 3.32 5.68 -1.25 -4.67 116.55 122.95 1ibm n ASP 134 Ca -0.16 -3.41 -0.35 0.00 -0.50 0.00 0.00 54.79 50.37 1ibm n ASP 134 Cb 0.54 -0.44 -0.11 0.00 -1.14 0.00 0.00 41.12 39.98 1ibm n ASP 134 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1ibm s LEU 135 N -2.93 5.14 0.19 -2.12 1.43 -1.26 -4.26 118.68 114.88 1ibm s LEU 135 Ca 0.40 -2.48 -0.18 0.00 -1.03 0.00 0.00 54.13 50.84 1ibm s LEU 135 Cb 0.38 -1.81 0.16 0.00 0.03 0.00 0.00 46.19 44.95 1ibm s LEU 135 CO -0.05 -0.43 1.60 -0.65 0.23 0.00 0.00 176.35 177.05 1ibm h PRO 136 N 7.45 -0.12 -0.10 1.29 0.11 -1.90 0.68 132.00 139.42 1ibm h PRO 136 Ca -0.07 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.08 1ibm h PRO 136 Cb 0.99 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 1ibm h PRO 136 CO 0.69 -0.08 0.47 0.66 -0.21 0.00 0.00 178.00 179.54 1ibm h SER 137 N -0.12 0.00 -1.24 -2.05 4.64 -1.97 -2.93 113.55 109.89 1ibm h SER 137 Ca 0.25 0.00 -0.74 0.00 -0.47 0.00 0.00 61.79 60.83 1ibm h SER 137 Cb 0.53 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.68 1ibm h SER 137 CO -0.66 0.00 0.13 0.00 -0.87 0.00 0.00 176.83 175.42 1ibm n TYR 138 N -2.98 0.82 -3.23 4.77 9.36 0.24 -4.68 117.16 121.46 1ibm n TYR 138 Ca 0.01 0.92 -0.44 0.00 3.32 0.00 0.00 57.90 61.71 1ibm n TYR 138 Cb 0.54 -2.15 -0.07 0.00 -0.63 0.00 0.00 39.34 37.03 1ibm n TYR 138 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 1ibm s ARG 139 N 0.01 3.08 0.11 2.98 3.52 -1.26 -0.67 118.95 126.71 1ibm s ARG 139 Ca 0.86 -1.02 -0.31 0.00 -0.13 0.00 0.00 55.73 55.13 1ibm s ARG 139 Cb -1.14 -4.10 -0.08 0.00 -1.56 0.00 0.00 34.95 28.07 1ibm s ARG 139 CO 0.54 -1.15 1.48 0.08 -0.81 0.00 0.00 175.30 175.44 1ibm s VAL 140 N 2.32 3.13 0.58 7.11 1.01 -0.15 -4.97 120.40 129.43 1ibm s VAL 140 Ca 0.12 0.75 0.04 0.00 0.00 0.00 0.00 61.98 62.89 1ibm s VAL 140 Cb -0.21 -3.48 0.07 0.00 0.00 0.00 0.00 36.38 32.76 1ibm s VAL 140 CO 0.10 0.04 0.80 -0.13 0.00 0.00 0.00 175.10 175.91 1ibm s ARG 141 N 1.54 2.30 -0.09 2.72 0.52 -1.26 -4.87 118.95 119.81 1ibm s ARG 141 Ca 0.68 -1.19 -0.29 0.00 -0.52 0.00 0.00 55.73 54.40 1ibm s ARG 141 Cb -0.38 -2.54 -0.02 0.00 0.52 0.00 0.00 34.95 32.53 1ibm s ARG 141 CO 0.30 -0.86 0.99 -2.14 0.02 0.00 0.00 175.30 173.61 1ibm s PRO 142 N -4.76 4.44 0.00 3.54 0.02 -1.26 -3.56 135.00 133.42 1ibm s PRO 142 Ca 0.60 1.37 0.00 0.00 0.02 0.00 0.00 61.00 62.99 1ibm s PRO 142 Cb -0.08 -3.53 0.00 0.00 0.02 0.00 0.00 34.50 30.91 1ibm s PRO 142 CO 0.39 -0.27 0.00 0.41 -0.33 0.00 0.00 177.00 177.20 1ibm n GLY 143 N 3.08 1.81 3.77 0.52 0.00 0.30 -4.99 105.19 109.69 1ibm n GLY 143 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1ibm n GLY 143 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ibm s ASP 144 N -1.89 7.18 -0.17 1.61 1.01 -1.23 -4.77 116.67 118.40 1ibm s ASP 144 Ca 0.00 2.04 -0.10 0.00 0.71 0.00 0.00 52.55 55.20 1ibm s ASP 144 Cb 0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 1ibm s ASP 144 CO 0.00 -0.19 0.15 -1.83 0.21 0.00 0.00 175.17 173.51 1ibm s GLU 145 N -1.89 3.99 -0.54 8.23 -1.05 -1.26 -2.05 118.70 124.13 1ibm s GLU 145 Ca 0.50 -0.15 -0.04 0.00 -0.15 0.00 0.00 54.97 55.12 1ibm s GLU 145 Cb -0.25 -3.36 0.14 0.00 -0.44 0.00 0.00 34.13 30.23 1ibm s GLU 145 CO 0.31 0.43 0.36 0.42 0.95 0.00 0.00 175.26 177.73 1ibm s ILE 146 N -0.03 3.73 0.48 1.83 1.09 0.16 -0.73 121.20 127.74 1ibm s ILE 146 Ca 0.11 -2.46 -0.04 0.00 -1.10 0.00 0.00 60.65 57.15 1ibm s ILE 146 Cb -0.12 -3.47 0.10 0.00 -1.06 0.00 0.00 42.46 37.92 1ibm s ILE 146 CO 0.00 -0.81 0.66 0.00 -0.10 0.00 0.00 174.94 174.69 1ibm n ALA 147 N 4.09 -0.33 -2.57 9.38 0.00 0.10 -3.89 120.51 127.28 1ibm n ALA 147 Ca 0.02 -1.06 -0.32 0.00 0.00 0.00 0.00 53.44 52.08 1ibm n ALA 147 Cb 0.40 0.08 -0.11 0.00 0.00 0.00 0.00 19.45 19.82 1ibm n ALA 147 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ibm s VAL 148 N -2.12 3.49 -0.26 0.00 1.01 -1.24 -2.24 120.40 119.05 1ibm s VAL 148 Ca 0.40 -0.88 -0.35 0.00 0.00 0.00 0.00 61.98 61.15 1ibm s VAL 148 Cb -0.02 -2.53 -0.11 0.00 0.00 0.00 0.00 36.38 33.73 1ibm s VAL 148 CO 0.27 0.36 2.07 0.00 0.00 0.00 0.00 175.10 177.80 1ibm n ALA 149 N 1.47 0.96 -0.02 5.51 0.00 0.22 -4.72 120.51 123.93 1ibm n ALA 149 Ca -0.15 0.06 -0.01 0.00 0.00 0.00 0.00 53.44 53.34 1ibm n ALA 149 Cb 0.52 -2.54 -0.01 0.00 0.00 0.00 0.00 19.45 17.43 1ibm n ALA 149 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ibm h GLU 150 N 11.31 -0.01 -0.63 0.00 3.07 -1.95 2.48 114.58 128.85 1ibm h GLU 150 Ca -0.36 0.00 0.18 0.00 -0.50 0.00 0.00 59.36 58.68 1ibm h GLU 150 Cb 1.30 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.19 1ibm h GLU 150 CO 0.99 -0.01 0.82 0.87 -1.40 0.00 0.00 179.01 180.28 1ibm h LYS 151 N -0.01 0.00 0.00 2.33 6.56 -1.98 0.57 116.57 124.03 1ibm h LYS 151 Ca 0.01 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.49 1ibm h LYS 151 Cb 0.03 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.67 1ibm h LYS 151 CO -0.04 0.00 -1.69 0.43 -2.06 0.00 0.00 179.45 176.09 1ibm n SER 152 N -3.34 0.42 0.29 0.86 7.64 0.49 -4.36 113.62 115.61 1ibm n SER 152 Ca 0.13 0.18 0.04 0.00 1.01 0.00 0.00 58.87 60.23 1ibm n SER 152 Cb 1.03 0.99 0.24 0.00 -1.01 0.00 0.00 64.21 65.46 1ibm n SER 152 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1ibm h ARG 153 N 0.00 0.00 -0.08 1.43 3.08 0.91 1.40 114.38 121.11 1ibm h ARG 153 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1ibm h ARG 153 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.42 1ibm h ARG 153 CO 0.02 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.01 1ibm n ASN 154 N -2.44 2.90 -4.74 7.04 3.02 -1.26 -4.71 115.26 115.08 1ibm n ASN 154 Ca -0.01 -1.95 -0.41 0.00 -0.03 0.00 0.00 54.58 52.18 1ibm n ASN 154 Cb 0.74 -0.04 -0.02 0.00 -0.61 0.00 0.00 39.78 39.86 1ibm n ASN 154 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ibm s LEU 155 N -1.92 4.38 0.26 3.41 1.43 0.48 -4.84 118.68 121.87 1ibm s LEU 155 Ca 0.31 2.71 -0.03 0.00 -1.03 0.00 0.00 54.13 56.09 1ibm s LEU 155 Cb 0.20 -3.62 0.52 0.00 0.03 0.00 0.00 46.19 43.32 1ibm s LEU 155 CO 0.31 -0.75 1.68 -0.08 0.23 0.00 0.00 176.35 177.73 1ibm h GLU 156 N 5.17 0.26 0.39 1.70 4.81 -1.93 0.49 114.58 125.47 1ibm h GLU 156 Ca -0.46 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 1ibm h GLU 156 Cb 1.22 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1ibm h GLU 156 CO 0.79 0.17 -0.19 1.25 -0.73 0.00 0.00 179.01 180.31 1ibm h LEU 157 N 0.27 -0.45 -1.73 1.64 6.46 -1.95 -1.44 115.31 118.11 1ibm h LEU 157 Ca 0.45 -0.01 0.07 0.00 -0.12 0.00 0.00 57.88 58.28 1ibm h LEU 157 Cb 0.80 0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.82 1ibm h LEU 157 CO -0.54 -0.29 0.32 0.40 -0.62 0.00 0.00 178.44 177.71 1ibm h ILE 158 N -0.56 0.93 0.00 4.05 2.04 -1.57 -1.91 117.51 120.48 1ibm h ILE 158 Ca -0.05 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1ibm h ILE 158 Cb 0.43 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1ibm h ILE 158 CO 0.09 0.06 0.00 0.54 0.00 0.00 0.00 178.15 178.84 1ibm n ARG 159 N -4.47 0.00 -0.34 2.37 5.12 0.16 -1.34 116.66 118.17 1ibm n ARG 159 Ca 0.07 0.14 -0.04 0.00 -1.93 0.00 0.00 57.85 56.09 1ibm n ARG 159 Cb 0.31 -1.05 0.00 0.00 -1.16 0.00 0.00 32.46 30.56 1ibm n ARG 159 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 1ibm h GLN 160 N 0.00 -0.06 0.00 5.56 4.20 -1.24 -0.87 115.11 122.71 1ibm h GLN 160 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ibm h GLN 160 Cb 0.00 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1ibm h GLN 160 CO 0.00 -0.04 -0.03 -0.91 -0.67 0.00 0.00 178.83 177.18 1ibm h ASN 161 N -0.06 -0.10 0.20 1.46 4.21 -1.38 0.11 115.58 120.01 1ibm h ASN 161 Ca 0.28 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.80 1ibm h ASN 161 Cb 0.56 0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.80 1ibm h ASN 161 CO -0.89 -0.03 0.00 0.25 -1.29 0.00 0.00 177.43 175.46 1ibm h LEU 162 N -0.05 0.00 0.22 1.61 6.46 -1.07 -2.49 115.31 120.00 1ibm h LEU 162 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1ibm h LEU 162 Cb 0.05 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.98 1ibm h LEU 162 CO -0.02 0.00 -0.10 -0.08 -0.62 0.00 0.00 178.44 177.61 1ibm h GLU 163 N 0.00 -0.28 0.00 1.25 4.57 -0.28 -3.06 114.58 116.78 1ibm h GLU 163 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1ibm h GLU 163 Cb 0.10 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1ibm h GLU 163 CO 0.00 -0.19 0.34 0.00 -1.18 0.00 0.00 179.01 177.98 1ibm n ALA 164 N -2.38 0.44 1.68 2.92 0.00 0.29 -0.79 120.51 122.67 1ibm n ALA 164 Ca -0.04 0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1ibm n ALA 164 Cb 0.12 -0.49 0.52 0.00 0.00 0.00 0.00 19.45 19.60 1ibm n ALA 164 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ibm n MET 165 N -1.51 0.84 -3.00 0.00 2.81 -1.07 -4.63 117.12 110.56 1ibm n MET 165 Ca -0.00 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.49 1ibm n MET 165 Cb 0.34 -1.33 -0.04 0.00 -0.71 0.00 0.00 33.22 31.48 1ibm n MET 165 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1ibm s LYS 166 N -2.00 4.46 0.00 0.03 1.02 0.03 -3.76 119.74 119.52 1ibm s LYS 166 Ca 0.26 0.96 0.00 0.00 0.02 0.00 0.00 55.97 57.21 1ibm s LYS 166 Cb 0.12 -3.44 0.00 0.00 -0.52 0.00 0.00 37.83 33.99 1ibm s LYS 166 CO 0.20 0.06 0.00 0.41 -0.92 0.00 0.00 175.35 175.10 1ibm n GLY 167 N 3.04 2.90 3.72 -3.33 0.00 -1.26 -5.02 105.19 105.24 1ibm n GLY 167 Ca -0.00 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 1ibm n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ibm s ARG 168 N 0.00 4.52 0.62 1.61 0.52 -1.25 -5.05 118.95 119.92 1ibm s ARG 168 Ca 0.00 1.60 -0.01 0.00 -0.52 0.00 0.00 55.73 56.80 1ibm s ARG 168 Cb 0.00 -3.39 0.06 0.00 0.52 0.00 0.00 34.95 32.14 1ibm s ARG 168 CO 0.00 -0.11 0.87 0.15 0.02 0.00 0.00 175.30 176.23 1ibm s LYS 169 N 0.83 2.30 0.37 3.54 1.02 -1.26 -5.01 119.74 121.53 1ibm s LYS 169 Ca 0.54 -0.72 0.08 0.00 0.02 0.00 0.00 55.97 55.90 1ibm s LYS 169 Cb -0.26 -2.39 -0.07 0.00 -0.52 0.00 0.00 37.83 34.60 1ibm s LYS 169 CO 0.29 -0.97 -0.03 0.54 -0.92 0.00 0.00 175.35 174.27 1ibm s VAL 170 N -2.94 2.22 0.64 3.17 0.11 -1.26 -5.11 120.40 117.22 1ibm s VAL 170 Ca 0.60 -2.07 -0.18 0.00 -2.93 0.00 0.00 61.98 57.40 1ibm s VAL 170 Cb -0.10 -2.81 -0.03 0.00 -1.53 0.00 0.00 36.38 31.92 1ibm s VAL 170 CO 0.41 -0.12 1.08 0.61 -3.33 0.00 0.00 175.10 173.75 1ibm n GLY 171 N -0.90 -0.02 0.01 6.54 0.00 -1.26 -4.86 105.19 104.70 1ibm n GLY 171 Ca -0.05 -0.18 0.01 0.00 0.00 0.00 0.00 46.02 45.81 1ibm n GLY 171 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ibm n PRO 172 N -1.49 0.01 0.00 1.61 -0.04 -1.26 -0.72 135.00 133.11 1ibm n PRO 172 Ca 0.15 0.51 0.10 0.00 -0.04 0.00 0.00 63.50 64.21 1ibm n PRO 172 Cb 0.48 -1.53 -0.06 0.00 -0.04 0.00 0.00 33.50 32.35 1ibm n PRO 172 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1ibm n TRP 173 N -1.55 0.00 -2.59 0.54 2.14 -1.26 -4.89 117.44 109.83 1ibm n TRP 173 Ca -0.00 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.57 1ibm n TRP 173 Cb 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.50 1ibm n TRP 173 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1ibm n LEU 174 N -0.74 0.00 0.00 5.67 4.77 0.10 -1.00 117.00 125.79 1ibm n LEU 174 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1ibm n LEU 174 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1ibm n LEU 174 CO 0.34 -0.23 0.00 -0.24 -1.33 0.00 0.00 177.39 175.94 1ibm n SER 175 N -1.42 0.00 -3.78 -1.43 2.88 -1.13 -4.66 113.62 104.09 1ibm n SER 175 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1ibm n SER 175 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 1ibm n SER 175 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1ibm s LEU 176 N 0.00 1.00 -0.71 2.46 2.34 -1.26 0.33 118.68 122.83 1ibm s LEU 176 Ca 0.00 0.33 -0.18 0.00 0.06 0.00 0.00 54.13 54.34 1ibm s LEU 176 Cb 0.00 0.48 0.12 0.00 -0.56 0.00 0.00 46.19 46.24 1ibm s LEU 176 CO 0.00 -0.11 0.84 -0.62 -1.06 0.00 0.00 176.35 175.40 1ibm s ASP 177 N 0.69 6.37 0.39 1.48 -1.08 -1.21 -4.88 116.67 118.44 1ibm s ASP 177 Ca -0.05 -1.72 0.20 0.00 -0.52 0.00 0.00 52.55 50.46 1ibm s ASP 177 Cb -0.07 -2.32 1.07 0.00 -1.46 0.00 0.00 42.92 40.14 1ibm s ASP 177 CO -0.03 -1.06 1.55 0.58 0.52 0.00 0.00 175.17 176.73 1ibm h VAL 178 N 5.74 0.00 0.00 1.11 2.07 -1.94 -1.21 116.25 122.02 1ibm h VAL 178 Ca -0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1ibm h VAL 178 Cb 1.06 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1ibm h VAL 178 CO 1.06 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 178.03 1ibm n GLU 179 N -2.29 0.00 0.00 1.57 -0.58 -1.26 -3.89 120.64 114.19 1ibm n GLU 179 Ca -0.01 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.74 1ibm n GLU 179 Cb 0.23 -0.21 0.10 0.00 -0.57 0.00 0.00 31.44 30.99 1ibm n GLU 179 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ibm n GLY 180 N 1.28 -0.11 2.26 0.62 0.00 -1.23 -4.76 105.19 103.25 1ibm n GLY 180 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 1ibm n GLY 180 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ibm n MET 181 N -0.99 -0.87 -0.01 1.61 2.81 -0.49 -4.74 117.12 114.44 1ibm n MET 181 Ca 0.03 0.68 0.00 0.00 -1.81 0.00 0.00 57.70 56.60 1ibm n MET 181 Cb 0.01 -4.76 0.00 0.00 -0.71 0.00 0.00 33.22 27.76 1ibm n MET 181 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1ibm n LYS 182 N -2.30 0.77 0.00 0.03 5.02 -1.04 -3.60 118.16 117.04 1ibm n LYS 182 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 1ibm n LYS 182 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 1ibm n LYS 182 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ibm n GLY 183 N 5.00 2.27 3.95 0.72 0.00 -1.25 -3.28 105.19 112.60 1ibm n GLY 183 Ca 0.00 0.30 -0.23 0.00 0.00 0.00 0.00 46.02 46.09 1ibm n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ibm s LYS 184 N -0.13 3.29 -0.53 1.61 1.02 0.15 0.39 119.74 125.54 1ibm s LYS 184 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 55.97 55.52 1ibm s LYS 184 Cb 0.00 -2.65 0.14 0.00 -0.52 0.00 0.00 37.83 34.80 1ibm s LYS 184 CO 0.00 -0.00 0.30 0.12 -0.92 0.00 0.00 175.35 174.85 1ibm s PHE 185 N -2.38 3.40 0.10 3.18 5.36 -0.87 -2.82 117.98 123.96 1ibm s PHE 185 Ca 0.43 -2.86 -0.13 0.00 -0.96 0.00 0.00 56.93 53.41 1ibm s PHE 185 Cb -0.10 -3.05 -0.12 0.00 -0.34 0.00 0.00 43.02 39.41 1ibm s PHE 185 CO 0.36 -0.84 1.35 -0.07 -1.46 0.00 0.00 175.22 174.56 1ibm h LEU 186 N 7.07 0.91 -7.01 6.12 3.38 -1.34 0.87 115.31 125.31 1ibm h LEU 186 Ca -0.06 -0.58 -0.02 0.00 0.09 0.00 0.00 57.88 57.32 1ibm h LEU 186 Cb 0.95 -0.26 -0.13 0.00 0.09 0.00 0.00 40.66 41.31 1ibm h LEU 186 CO 0.68 1.32 0.20 -0.60 0.09 0.00 0.00 178.44 180.14 1ibm s ARG 187 N -3.96 1.26 -0.17 1.13 6.06 -1.12 -4.61 118.95 117.54 1ibm s ARG 187 Ca -0.11 -0.43 -0.29 0.00 -2.50 0.00 0.00 55.73 52.40 1ibm s ARG 187 Cb 0.09 0.58 -0.01 0.00 0.06 0.00 0.00 34.95 35.67 1ibm s ARG 187 CO 0.88 -0.54 1.28 -0.51 -2.50 0.00 0.00 175.30 173.92 1ibm s LEU 188 N -2.64 4.16 0.30 -0.88 1.43 -1.26 -4.76 118.68 115.03 1ibm s LEU 188 Ca 0.00 1.67 -0.29 0.00 -1.03 0.00 0.00 54.13 54.48 1ibm s LEU 188 Cb -0.01 -3.54 -0.13 0.00 0.03 0.00 0.00 46.19 42.54 1ibm s LEU 188 CO -0.11 -0.80 1.19 -0.81 0.23 0.00 0.00 176.35 176.04 1ibm n PRO 189 N 6.71 1.78 -2.55 1.29 -0.04 -1.26 -4.99 135.00 135.94 1ibm n PRO 189 Ca 0.14 0.63 -0.29 0.00 -0.04 0.00 0.00 63.50 63.94 1ibm n PRO 189 Cb 0.45 -2.13 -0.01 0.00 -0.04 0.00 0.00 33.50 31.77 1ibm n PRO 189 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ibm s ASP 190 N -0.33 6.34 0.30 3.54 1.01 -1.26 -4.57 116.67 121.71 1ibm s ASP 190 Ca 0.59 1.09 0.05 0.00 0.71 0.00 0.00 52.55 54.99 1ibm s ASP 190 Cb -0.64 -2.32 0.73 0.00 1.01 0.00 0.00 42.92 41.70 1ibm s ASP 190 CO 0.60 -0.58 1.76 -0.09 0.21 0.00 0.00 175.17 177.07 1ibm h ARG 191 N 0.44 0.69 -0.77 8.23 9.65 -1.94 0.23 114.38 130.91 1ibm h ARG 191 Ca -0.46 -0.04 0.11 0.00 -1.10 0.00 0.00 59.98 58.49 1ibm h ARG 191 Cb 1.20 -0.16 -0.08 0.00 -1.39 0.00 0.00 29.97 29.54 1ibm h ARG 191 CO 0.62 0.46 0.39 0.93 2.80 0.00 0.00 179.97 185.16 1ibm h GLU 192 N 0.71 0.60 -0.88 0.20 3.07 -2.02 -2.07 114.58 114.19 1ibm h GLU 192 Ca 0.57 -0.04 0.08 0.00 -0.50 0.00 0.00 59.36 59.47 1ibm h GLU 192 Cb 0.91 -0.14 -0.07 0.00 -0.84 0.00 0.00 28.75 28.62 1ibm h GLU 192 CO -0.40 0.40 0.54 -0.44 -1.40 0.00 0.00 179.01 177.70 1ibm h ASP 193 N 0.62 0.82 -3.86 1.42 3.32 -0.90 -3.43 116.42 114.41 1ibm h ASP 193 Ca 0.39 0.03 -0.49 0.00 0.02 0.00 0.00 57.03 56.98 1ibm h ASP 193 Cb 0.46 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.88 1ibm h ASP 193 CO -0.30 0.50 0.42 -0.76 -1.72 0.00 0.00 179.24 177.37 1ibm s LEU 194 N -10.22 4.40 -0.49 1.55 2.01 -0.78 -4.97 118.68 110.17 1ibm s LEU 194 Ca -0.12 2.09 0.04 0.00 0.01 0.00 0.00 54.13 56.14 1ibm s LEU 194 Cb 0.19 -3.87 0.42 0.00 0.01 0.00 0.00 46.19 42.94 1ibm s LEU 194 CO 0.79 -0.21 1.33 0.00 1.01 0.00 0.00 176.35 179.28 1ibm n ALA 195 N 0.72 5.38 -2.42 4.21 0.00 -1.26 -4.98 120.51 122.16 1ibm n ALA 195 Ca 0.01 -4.14 -0.41 0.00 0.00 0.00 0.00 53.44 48.90 1ibm n ALA 195 Cb 0.47 -0.82 -0.04 0.00 0.00 0.00 0.00 19.45 19.06 1ibm n ALA 195 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ibm s LEU 196 N -3.66 4.45 0.00 0.00 1.43 -1.26 -4.91 118.68 114.72 1ibm s LEU 196 Ca 0.50 1.60 -0.03 0.00 -1.03 0.00 0.00 54.13 55.18 1ibm s LEU 196 Cb 0.42 -3.42 -0.13 0.00 0.03 0.00 0.00 46.19 43.08 1ibm s LEU 196 CO -0.17 -0.07 2.39 -0.81 0.23 0.00 0.00 176.35 177.92 1ibm n PRO 197 N 3.05 1.25 -4.79 1.29 -0.04 -1.26 -4.80 135.00 129.70 1ibm n PRO 197 Ca 0.01 -0.50 -0.25 0.00 -0.04 0.00 0.00 63.50 62.72 1ibm n PRO 197 Cb 0.50 -1.62 -0.15 0.00 -0.04 0.00 0.00 33.50 32.19 1ibm n PRO 197 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ibm s VAL 198 N 1.16 1.51 -0.71 0.52 1.01 -1.26 -4.96 120.40 117.66 1ibm s VAL 198 Ca 0.33 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 1ibm s VAL 198 Cb 0.16 -1.28 0.18 0.00 0.00 0.00 0.00 36.38 35.44 1ibm s VAL 198 CO 0.00 0.32 0.55 0.21 0.00 0.00 0.00 175.10 176.18 1ibm s ASN 199 N -0.71 5.45 0.32 3.32 3.04 -1.26 -4.92 114.94 120.17 1ibm s ASN 199 Ca 0.07 -3.15 0.09 0.00 0.04 0.00 0.00 52.86 49.91 1ibm s ASN 199 Cb -0.08 -1.87 0.88 0.00 -1.54 0.00 0.00 41.25 38.65 1ibm s ASN 199 CO 0.00 -0.31 1.71 1.05 -3.04 0.00 0.00 177.10 176.52 1ibm h GLU 200 N 6.67 0.50 -0.75 0.43 9.09 -1.97 -0.72 114.58 127.83 1ibm h GLU 200 Ca 0.04 -0.03 0.21 0.00 0.05 0.00 0.00 59.36 59.63 1ibm h GLU 200 Cb 0.91 -0.11 -0.14 0.00 -1.65 0.00 0.00 28.75 27.75 1ibm h GLU 200 CO 0.75 0.33 0.03 1.04 0.05 0.00 0.00 179.01 181.21 1ibm n GLN 201 N -4.94 -0.06 0.14 1.06 1.13 -1.26 0.24 117.38 113.69 1ibm n GLN 201 Ca 0.27 1.12 -0.11 0.00 -1.94 0.00 0.00 57.00 56.33 1ibm n GLN 201 Cb 0.76 -1.79 -0.07 0.00 0.11 0.00 0.00 30.24 29.26 1ibm n GLN 201 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1ibm h LEU 202 N 0.00 -0.35 -0.97 1.08 3.38 -1.55 -1.82 115.31 115.09 1ibm h LEU 202 Ca 0.46 -0.18 0.31 0.00 0.09 0.00 0.00 57.88 58.56 1ibm h LEU 202 Cb 0.97 0.09 -0.17 0.00 0.09 0.00 0.00 40.66 41.63 1ibm h LEU 202 CO -0.70 0.11 0.26 0.58 0.09 0.00 0.00 178.44 178.79 1ibm h VAL 203 N -0.94 0.10 -0.05 1.22 2.07 0.32 0.95 116.25 119.92 1ibm h VAL 203 Ca -0.04 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1ibm h VAL 203 Cb 0.51 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1ibm h VAL 203 CO 0.07 0.01 0.01 0.40 0.02 0.00 0.00 177.57 178.08 1ibm h ILE 204 N 0.07 1.19 -0.42 4.57 2.04 0.14 -2.75 117.51 122.36 1ibm h ILE 204 Ca 0.67 -0.57 0.06 0.00 1.00 0.00 0.00 64.86 66.02 1ibm h ILE 204 Cb 1.54 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 39.08 1ibm h ILE 204 CO -0.80 0.16 0.28 -0.33 0.00 0.00 0.00 178.15 177.46 1ibm h GLU 205 N -0.13 0.31 -0.06 2.37 5.08 0.16 -2.34 114.58 119.95 1ibm h GLU 205 Ca 0.02 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1ibm h GLU 205 Cb 0.24 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1ibm h GLU 205 CO 0.00 0.20 -0.47 0.35 -1.00 0.00 0.00 179.01 178.10 1ibm h PHE 206 N 0.31 0.19 -0.07 4.33 3.57 0.11 -2.09 116.94 123.30 1ibm h PHE 206 Ca 0.18 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1ibm h PHE 206 Cb 0.32 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1ibm h PHE 206 CO -0.00 0.60 0.00 0.66 -2.23 0.00 0.00 178.31 177.34 1ibm n TYR 207 N -3.98 0.08 -0.55 0.41 0.53 -0.89 -3.41 117.16 109.34 1ibm n TYR 207 Ca -0.02 -0.04 -0.17 0.00 -1.02 0.00 0.00 57.90 56.66 1ibm n TYR 207 Cb 0.51 0.00 0.10 0.00 -1.03 0.00 0.00 39.34 38.92 1ibm n TYR 207 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 1ibm n SER 208 N -0.12 4.25 0.00 7.72 7.64 -0.78 -5.12 113.62 127.20 1ibm n SER 208 Ca 0.18 -3.08 0.00 0.00 1.01 0.00 0.00 58.87 56.97 1ibm n SER 208 Cb 0.26 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 1ibm n SER 208 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89