#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a24 s THR 7 N 0.00 2.55 -0.08 0.58 -4.23 -1.26 -4.17 115.64 109.02 2a24 s THR 7 Ca 0.00 -0.65 -0.15 0.00 -1.18 0.00 0.00 61.69 59.71 2a24 s THR 7 Cb 0.00 -2.90 0.03 0.00 1.34 0.00 0.00 72.50 70.97 2a24 s THR 7 CO 0.00 0.00 0.36 0.72 -0.54 0.00 0.00 174.62 175.16 2a24 s PHE 8 N -2.84 -0.33 -0.17 3.99 -0.71 -0.88 -4.94 117.98 112.11 2a24 s PHE 8 Ca 0.59 0.70 -0.08 0.00 -1.04 0.00 0.00 56.93 57.11 2a24 s PHE 8 Cb -0.09 0.14 -0.04 0.00 -1.21 0.00 0.00 43.02 41.81 2a24 s PHE 8 CO 0.40 -0.30 0.08 -1.17 -1.34 0.00 0.00 175.22 172.89 2a24 s LEU 9 N -0.51 3.95 0.13 -1.99 1.98 -1.26 -1.35 118.68 119.62 2a24 s LEU 9 Ca -0.06 0.16 0.04 0.00 -2.89 0.00 0.00 54.13 51.38 2a24 s LEU 9 Cb -0.04 -2.00 -0.04 0.00 0.66 0.00 0.00 46.19 44.78 2a24 s LEU 9 CO 0.03 0.21 -0.11 -0.44 -1.89 0.00 0.00 176.35 174.15 2a24 s SER 10 N 0.15 1.72 -0.06 3.68 0.01 -0.46 -1.82 113.70 116.92 2a24 s SER 10 Ca 0.06 -0.92 0.05 0.00 1.31 0.00 0.00 55.95 56.45 2a24 s SER 10 Cb -0.12 -0.01 -0.01 0.00 0.21 0.00 0.00 66.02 66.09 2a24 s SER 10 CO 0.00 -0.28 -0.23 -0.13 0.41 0.00 0.00 173.24 173.01 2a24 s ARG 11 N -3.28 2.48 -0.13 12.44 1.81 -0.03 -0.26 118.95 131.99 2a24 s ARG 11 Ca 0.12 -0.83 0.00 0.00 -1.72 0.00 0.00 55.73 53.30 2a24 s ARG 11 Cb -0.00 -2.05 0.02 0.00 -0.45 0.00 0.00 34.95 32.47 2a24 s ARG 11 CO 0.01 0.30 -0.12 -1.01 -0.68 0.00 0.00 175.30 173.80 2a24 s HIS 12 N 0.00 1.91 0.24 -0.53 3.76 -0.51 -1.86 115.29 118.31 2a24 s HIS 12 Ca -0.07 -1.02 0.00 0.00 -0.15 0.00 0.00 55.06 53.82 2a24 s HIS 12 Cb -0.14 -1.45 -0.05 0.00 1.11 0.00 0.00 32.58 32.05 2a24 s HIS 12 CO 0.04 -0.59 0.11 -1.54 -0.85 0.00 0.00 174.74 171.91 2a24 s SER 13 N 1.49 0.82 0.65 1.40 1.04 -1.18 0.24 113.70 118.16 2a24 s SER 13 Ca 0.03 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.08 2a24 s SER 13 Cb -0.13 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2a24 s SER 13 CO -0.09 -0.77 0.00 0.80 0.98 0.00 0.00 173.24 174.16 2a24 n MET 14 N -0.40 0.00 -1.03 4.02 0.00 -1.26 -0.56 117.12 117.89 2a24 n MET 14 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 57.70 57.59 2a24 n MET 14 Cb 0.66 0.00 0.24 0.00 0.00 0.00 0.00 33.22 34.12 2a24 n MET 14 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2a24 n ASP 15 N 6.15 4.30 -1.28 6.12 5.75 -1.26 -4.84 116.55 131.49 2a24 n ASP 15 Ca 0.00 -3.27 -0.12 0.00 -0.01 0.00 0.00 54.79 51.39 2a24 n ASP 15 Cb 0.00 -0.77 -0.01 0.00 -1.03 0.00 0.00 41.12 39.31 2a24 n ASP 15 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 2a24 n MET 16 N -0.46 -0.93 -1.58 0.11 0.00 0.28 -4.74 117.12 109.80 2a24 n MET 16 Ca 0.45 0.63 -0.30 0.00 -0.00 0.00 0.00 57.70 58.48 2a24 n MET 16 Cb 1.43 -4.77 0.22 0.00 0.00 0.00 0.00 33.22 30.11 2a24 n MET 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2a24 s LYS 17 N -4.34 -0.37 -0.56 2.12 -2.85 -0.76 -3.87 119.74 109.11 2a24 s LYS 17 Ca 0.00 -0.36 -0.18 0.00 -1.00 0.00 0.00 55.97 54.43 2a24 s LYS 17 Cb 0.00 -1.72 0.09 0.00 -2.06 0.00 0.00 37.83 34.14 2a24 s LYS 17 CO 0.00 -3.10 0.64 -0.06 0.10 0.00 0.00 175.35 172.93 2a24 s PHE 18 N -3.56 3.06 -0.27 1.78 0.08 -0.42 -3.09 117.98 115.56 2a24 s PHE 18 Ca 0.74 -0.91 0.20 0.00 0.12 0.00 0.00 56.93 57.09 2a24 s PHE 18 Cb -0.05 -3.83 0.10 0.00 -0.57 0.00 0.00 43.02 38.67 2a24 s PHE 18 CO 0.54 -1.17 1.27 1.79 -0.10 0.00 0.00 175.22 177.56 2a24 h THR 19 N 5.90 0.26 -1.90 0.64 1.35 -1.68 -0.47 112.91 117.01 2a24 h THR 19 Ca -0.29 -1.41 0.01 0.00 -0.55 0.00 0.00 66.41 64.17 2a24 h THR 19 Cb 1.09 1.93 -0.22 0.00 -1.73 0.00 0.00 68.15 69.22 2a24 h THR 19 CO 1.05 0.15 0.16 -0.47 -0.25 0.00 0.00 175.52 176.16 2a24 s TYR 20 N -3.16 -0.83 0.02 4.73 5.04 -1.25 -4.81 117.35 117.10 2a24 s TYR 20 Ca 0.02 1.82 0.07 0.00 -2.44 0.00 0.00 57.07 56.54 2a24 s TYR 20 Cb 0.08 0.43 -0.02 0.00 0.35 0.00 0.00 41.96 42.79 2a24 s TYR 20 CO 0.75 -0.41 -0.20 0.00 -1.34 0.00 0.00 175.55 174.35 2a24 s ASP 22 N -0.95 5.25 0.19 0.00 -1.08 -0.75 -4.76 116.67 114.57 2a24 s ASP 22 Ca 0.07 2.06 0.25 0.00 -0.52 0.00 0.00 52.55 54.42 2a24 s ASP 22 Cb -0.08 -2.56 0.89 0.00 -1.46 0.00 0.00 42.92 39.71 2a24 s ASP 22 CO 0.01 -1.53 1.76 -0.90 0.52 0.00 0.00 175.17 175.03 2a24 n ASP 23 N -2.11 0.66 0.06 -0.34 5.68 -1.26 -2.70 116.55 116.54 2a24 n ASP 23 Ca 0.11 0.59 0.13 0.00 -0.50 0.00 0.00 54.79 55.12 2a24 n ASP 23 Cb 0.52 -0.76 0.41 0.00 -1.14 0.00 0.00 41.12 40.15 2a24 n ASP 23 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2a24 n ARG 24 N -2.15 0.16 0.26 0.11 1.74 -1.26 -3.57 116.66 111.95 2a24 n ARG 24 Ca 0.05 0.11 0.13 0.00 -0.77 0.00 0.00 57.85 57.36 2a24 n ARG 24 Cb 0.36 -1.66 0.66 0.00 -1.02 0.00 0.00 32.46 30.80 2a24 n ARG 24 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2a24 h ILE 25 N 0.00 0.47 0.00 0.55 2.10 -1.79 -2.03 117.51 116.81 2a24 h ILE 25 Ca 0.00 -0.70 -0.05 0.00 1.08 0.00 0.00 64.86 65.19 2a24 h ILE 25 Cb 0.65 1.48 -0.01 0.00 -1.09 0.00 0.00 36.82 37.85 2a24 h ILE 25 CO 0.00 0.13 -0.25 0.74 -1.08 0.00 0.00 178.15 177.70 2a24 h THR 26 N 0.00 0.74 0.00 2.19 2.02 -1.56 0.32 112.91 116.62 2a24 h THR 26 Ca -0.00 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 66.13 2a24 h THR 26 Cb 0.47 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 2a24 h THR 26 CO 0.02 0.24 -1.29 -0.62 0.37 0.00 0.00 175.52 174.24 2a24 n GLU 27 N -3.61 0.39 -0.12 6.66 1.02 -0.80 -3.16 120.64 121.03 2a24 n GLU 27 Ca -0.01 -0.04 -0.24 0.00 -0.02 0.00 0.00 57.16 56.84 2a24 n GLU 27 Cb 0.38 -1.59 -0.08 0.00 -0.02 0.00 0.00 31.44 30.13 2a24 n GLU 27 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2a24 n LEU 28 N -2.06 1.67 -0.07 -4.62 4.77 -1.01 -4.76 117.00 110.91 2a24 n LEU 28 Ca 0.00 0.29 -0.17 0.00 -0.03 0.00 0.00 56.01 56.10 2a24 n LEU 28 Cb 0.47 -0.69 -0.13 0.00 -2.33 0.00 0.00 43.42 40.74 2a24 n LEU 28 CO 0.42 0.44 -1.08 -0.38 -1.33 0.00 0.00 177.39 175.47 2a24 n ILE 29 N -4.07 1.58 0.00 -0.08 2.08 0.10 -4.93 119.36 114.04 2a24 n ILE 29 Ca -0.45 -0.66 0.00 0.00 0.56 0.00 0.00 62.75 62.21 2a24 n ILE 29 Cb 0.81 -1.35 0.00 0.00 -0.75 0.00 0.00 39.64 38.35 2a24 n ILE 29 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2a24 n GLY 30 N 2.04 1.19 3.72 7.39 0.00 -0.49 -0.62 105.19 118.43 2a24 n GLY 30 Ca -0.37 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 2a24 n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a24 s TYR 31 N -1.54 3.59 0.21 1.61 2.02 -1.25 -4.73 117.35 117.26 2a24 s TYR 31 Ca 0.00 1.55 -0.20 0.00 -0.37 0.00 0.00 57.07 58.05 2a24 s TYR 31 Cb 0.00 -3.26 -0.08 0.00 -0.40 0.00 0.00 41.96 38.22 2a24 s TYR 31 CO 0.00 -0.60 0.72 -3.38 -1.57 0.00 0.00 175.55 170.72 2a24 s HIS 32 N 0.44 3.67 0.20 2.71 -3.43 -1.26 -2.69 115.29 114.93 2a24 s HIS 32 Ca 0.52 1.39 -0.12 0.00 -0.80 0.00 0.00 55.06 56.06 2a24 s HIS 32 Cb -0.27 -2.62 0.26 0.00 -1.43 0.00 0.00 32.58 28.52 2a24 s HIS 32 CO 0.31 0.36 1.28 -2.30 -2.00 0.00 0.00 174.74 172.39 2a24 n PRO 33 N 0.80 -0.16 0.03 -0.38 -0.02 -1.26 0.45 135.00 134.47 2a24 n PRO 33 Ca -0.03 1.28 0.05 0.00 -2.02 0.00 0.00 63.50 62.78 2a24 n PRO 33 Cb 0.51 -1.90 0.24 0.00 -0.02 0.00 0.00 33.50 32.33 2a24 n PRO 33 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2a24 n GLU 34 N -5.26 0.04 0.09 -0.52 -0.58 -1.26 -1.92 120.64 111.23 2a24 n GLU 34 Ca 0.10 0.40 0.06 0.00 -0.42 0.00 0.00 57.16 57.31 2a24 n GLU 34 Cb 0.36 -1.59 -0.01 0.00 -0.57 0.00 0.00 31.44 29.63 2a24 n GLU 34 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2a24 h GLU 35 N 0.00 0.00 0.00 3.49 4.57 -0.38 -3.34 114.58 118.92 2a24 h GLU 35 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2a24 h GLU 35 Cb 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 2a24 h GLU 35 CO 0.00 0.16 -1.90 1.28 -1.18 0.00 0.00 179.01 177.37 2a24 n LEU 36 N -2.86 0.04 -4.65 1.64 4.32 -0.81 -4.85 117.00 109.84 2a24 n LEU 36 Ca -0.03 -0.02 -0.44 0.00 -0.02 0.00 0.00 56.01 55.50 2a24 n LEU 36 Cb 0.67 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.44 2a24 n LEU 36 CO 0.41 0.01 1.63 0.18 -1.22 0.00 0.00 177.39 178.39 2a24 n LEU 37 N -2.19 3.84 0.00 2.23 4.77 -0.83 -1.40 117.00 123.43 2a24 n LEU 37 Ca -0.03 0.80 0.00 0.00 -0.03 0.00 0.00 56.01 56.75 2a24 n LEU 37 Cb 0.53 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.13 2a24 n LEU 37 CO 0.43 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2a24 n GLY 38 N 4.75 0.66 3.56 -0.72 0.00 -0.18 -5.02 105.19 108.23 2a24 n GLY 38 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 2a24 n GLY 38 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2a24 s ARG 39 N -0.23 2.01 0.11 1.61 1.70 -0.49 -4.95 118.95 118.72 2a24 s ARG 39 Ca 0.00 -1.37 -0.30 0.00 -0.47 0.00 0.00 55.73 53.59 2a24 s ARG 39 Cb 0.00 -2.09 -0.07 0.00 -0.57 0.00 0.00 34.95 32.22 2a24 s ARG 39 CO 0.00 0.41 1.20 0.45 -1.08 0.00 0.00 175.30 176.28 2a24 s SER 40 N -3.03 7.08 0.48 -2.89 0.15 -1.26 -1.30 113.70 112.93 2a24 s SER 40 Ca 0.26 2.11 0.27 0.00 0.70 0.00 0.00 55.95 59.29 2a24 s SER 40 Cb -0.08 -2.59 1.13 0.00 -1.71 0.00 0.00 66.02 62.77 2a24 s SER 40 CO 0.15 -0.43 1.91 0.00 1.20 0.00 0.00 173.24 176.07 2a24 h ALA 41 N 6.20 1.06 0.00 5.45 0.00 -1.85 -2.80 119.26 127.31 2a24 h ALA 41 Ca -0.43 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2a24 h ALA 41 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2a24 h ALA 41 CO 0.79 0.20 0.00 0.66 0.00 0.00 0.00 179.25 180.89 2a24 n TYR 42 N -3.36 0.00 0.06 0.00 4.01 -1.26 -2.19 117.16 114.42 2a24 n TYR 42 Ca -0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.73 2a24 n TYR 42 Cb 0.37 -0.10 0.27 0.00 -0.31 0.00 0.00 39.34 39.57 2a24 n TYR 42 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2a24 h GLU 43 N 0.00 0.36 0.00 -0.72 5.08 -1.90 -3.28 114.58 114.12 2a24 h GLU 43 Ca 0.00 -0.12 -0.17 0.00 -1.00 0.00 0.00 59.36 58.07 2a24 h GLU 43 Cb 0.05 -0.03 -0.36 0.00 0.50 0.00 0.00 28.75 28.91 2a24 h GLU 43 CO 0.00 0.57 -0.99 1.97 -1.00 0.00 0.00 179.01 179.56 2a24 n PHE 44 N -4.16 0.00 -1.33 4.33 1.16 -1.10 -4.95 117.46 111.40 2a24 n PHE 44 Ca -0.00 -0.46 -0.35 0.00 -1.87 0.00 0.00 57.45 54.77 2a24 n PHE 44 Cb 0.36 -0.13 -0.05 0.00 -1.61 0.00 0.00 39.48 38.05 2a24 n PHE 44 CO 0.00 0.00 0.00 0.98 -1.87 0.00 0.00 176.76 175.87 2a24 n TYR 45 N 0.46 2.03 -0.97 2.97 9.36 -0.93 -4.46 117.16 125.62 2a24 n TYR 45 Ca 0.05 -2.79 0.02 0.00 3.32 0.00 0.00 57.90 58.50 2a24 n TYR 45 Cb 1.11 -2.26 -0.01 0.00 -0.63 0.00 0.00 39.34 37.55 2a24 n TYR 45 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2a24 n HIS 46 N 3.16 -2.64 -0.07 2.98 8.25 -1.26 -3.94 115.22 121.70 2a24 n HIS 46 Ca 0.71 1.43 -0.19 0.00 -0.26 0.00 0.00 57.72 59.41 2a24 n HIS 46 Cb 0.35 -2.40 -0.13 0.00 1.12 0.00 0.00 29.99 28.93 2a24 n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2a24 n ALA 47 N -2.43 1.21 0.42 -1.41 0.00 -1.26 -4.18 120.51 112.85 2a24 n ALA 47 Ca -0.01 -0.90 0.05 0.00 0.00 0.00 0.00 53.44 52.58 2a24 n ALA 47 Cb 0.33 -0.35 -0.01 0.00 0.00 0.00 0.00 19.45 19.42 2a24 n ALA 47 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2a24 n LEU 48 N -3.34 0.99 -0.92 0.00 -0.00 -1.26 -4.45 117.00 108.01 2a24 n LEU 48 Ca -0.40 -0.70 0.02 0.00 -0.00 0.00 0.00 56.01 54.93 2a24 n LEU 48 Cb 1.02 0.00 0.21 0.00 -0.00 0.00 0.00 43.42 44.65 2a24 n LEU 48 CO 0.33 0.20 0.67 0.47 -0.00 0.00 0.00 177.39 179.06 2a24 n ASP 49 N -0.50 2.86 0.00 1.45 9.92 -1.26 -4.68 116.55 124.34 2a24 n ASP 49 Ca 0.03 -3.47 -0.09 0.00 -0.53 0.00 0.00 54.79 50.73 2a24 n ASP 49 Cb 0.18 -0.58 -0.07 0.00 -0.64 0.00 0.00 41.12 40.01 2a24 n ASP 49 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2a24 h SER 50 N 1.14 -0.10 -0.93 -2.24 0.02 -1.73 -3.30 113.55 106.41 2a24 h SER 50 Ca 0.12 -0.44 0.15 0.00 -0.84 0.00 0.00 61.79 60.78 2a24 h SER 50 Cb 1.48 0.03 -0.08 0.00 0.14 0.00 0.00 62.40 63.97 2a24 h SER 50 CO 0.27 0.56 0.59 -0.33 -1.14 0.00 0.00 176.83 176.78 2a24 h GLU 51 N -0.93 0.69 -0.97 3.45 4.39 -1.90 0.24 114.58 119.55 2a24 h GLU 51 Ca -0.01 -0.04 0.13 0.00 0.34 0.00 0.00 59.36 59.77 2a24 h GLU 51 Cb 0.53 -0.16 -0.08 0.00 -0.10 0.00 0.00 28.75 28.94 2a24 h GLU 51 CO 0.02 0.46 0.61 -0.91 -1.16 0.00 0.00 179.01 178.03 2a24 h ASN 52 N 0.71 0.84 0.89 1.42 4.21 -1.88 -1.12 115.58 120.66 2a24 h ASN 52 Ca 0.48 0.05 -0.01 0.00 1.21 0.00 0.00 56.30 58.03 2a24 h ASN 52 Cb 0.77 -0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 37.85 2a24 h ASN 52 CO -0.24 0.44 -1.11 0.23 -1.29 0.00 0.00 177.43 175.46 2a24 n MET 53 N -4.60 0.61 -0.20 0.81 2.81 -0.10 -3.71 117.12 112.74 2a24 n MET 53 Ca 0.18 0.10 -0.08 0.00 -1.81 0.00 0.00 57.70 56.09 2a24 n MET 53 Cb 0.39 -1.80 0.02 0.00 -0.71 0.00 0.00 33.22 31.12 2a24 n MET 53 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 2a24 h THR 54 N 0.00 1.23 -0.33 2.03 2.02 0.15 -1.67 112.91 116.34 2a24 h THR 54 Ca -0.01 -0.77 -0.10 0.00 0.77 0.00 0.00 66.41 66.31 2a24 h THR 54 Cb 1.02 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 2a24 h THR 54 CO 0.00 0.29 -0.20 0.11 0.37 0.00 0.00 175.52 176.09 2a24 h LYS 55 N 0.78 0.62 -0.65 6.66 1.79 -1.52 -2.79 116.57 121.45 2a24 h LYS 55 Ca 0.18 -0.23 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 2a24 h LYS 55 Cb 0.25 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.83 2a24 h LYS 55 CO -0.01 0.78 0.35 0.77 -1.08 0.00 0.00 179.45 180.26 2a24 h SER 56 N 0.56 0.83 -0.32 0.86 0.02 -1.53 -1.09 113.55 112.87 2a24 h SER 56 Ca 0.09 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2a24 h SER 56 Cb 0.65 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 2a24 h SER 56 CO 0.05 0.70 0.19 -0.74 -1.14 0.00 0.00 176.83 175.88 2a24 h HIS 57 N 0.90 0.43 -0.56 3.45 -0.00 -1.08 0.47 115.15 118.75 2a24 h HIS 57 Ca 0.23 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.61 2a24 h HIS 57 Cb 0.06 -0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 27.30 2a24 h HIS 57 CO -0.00 0.32 0.36 1.96 -0.00 0.00 0.00 177.93 180.57 2a24 h GLN 58 N 0.41 0.71 -0.12 5.26 4.20 -1.24 -2.08 115.11 122.26 2a24 h GLN 58 Ca 0.11 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.70 2a24 h GLN 58 Cb 0.02 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.64 2a24 h GLN 58 CO -0.02 0.47 -0.26 -0.97 -0.67 0.00 0.00 178.83 177.38 2a24 h ASN 59 N 0.74 0.43 -0.35 1.46 -1.24 -0.92 -3.24 115.58 112.45 2a24 h ASN 59 Ca 0.21 -0.57 0.07 0.00 0.71 0.00 0.00 56.30 56.72 2a24 h ASN 59 Cb -0.06 -0.12 -0.06 0.00 0.73 0.00 0.00 38.32 38.81 2a24 h ASN 59 CO -0.06 0.92 -0.02 0.25 -1.29 0.00 0.00 177.43 177.23 2a24 h LEU 60 N -0.04 -0.19 -2.06 0.34 5.85 0.09 0.33 115.31 119.62 2a24 h LEU 60 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2a24 h LEU 60 Cb 0.86 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.05 2a24 h LEU 60 CO 0.06 -0.06 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 2a24 n THR 62 N -2.84 0.42 -0.01 0.00 -1.04 -0.26 -4.54 114.28 106.00 2a24 n THR 62 Ca -0.01 -0.57 -0.21 0.00 -2.04 0.00 0.00 64.05 61.22 2a24 n THR 62 Cb 0.14 -0.14 -0.14 0.00 -1.82 0.00 0.00 70.33 68.38 2a24 n THR 62 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2a24 n LYS 63 N -2.36 0.74 0.00 -2.82 4.76 1.00 -4.99 118.16 114.49 2a24 n LYS 63 Ca -0.12 0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 2a24 n LYS 63 Cb 0.72 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 32.22 2a24 n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2a24 n GLY 64 N 2.01 2.74 3.63 0.72 0.00 0.45 -4.97 105.19 109.77 2a24 n GLY 64 Ca -0.34 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.63 2a24 n GLY 64 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a24 s GLN 65 N -0.13 0.58 -0.19 1.61 0.74 -1.26 0.67 119.66 121.69 2a24 s GLN 65 Ca 0.00 1.06 -0.22 0.00 0.05 0.00 0.00 55.36 56.25 2a24 s GLN 65 Cb 0.00 0.20 0.06 0.00 1.10 0.00 0.00 33.01 34.36 2a24 s GLN 65 CO 0.00 -0.13 0.60 0.54 -0.55 0.00 0.00 175.29 175.74 2a24 s VAL 66 N 1.69 0.00 -0.33 1.34 0.11 -0.15 -5.01 120.40 118.05 2a24 s VAL 66 Ca -0.09 -0.03 -0.08 0.00 -2.93 0.00 0.00 61.98 58.85 2a24 s VAL 66 Cb -0.05 -0.85 0.02 0.00 -1.53 0.00 0.00 36.38 33.97 2a24 s VAL 66 CO -0.18 -0.02 0.13 -0.69 -3.33 0.00 0.00 175.10 171.01 2a24 s VAL 67 N -0.00 4.13 -0.24 2.04 1.01 -1.26 -0.76 120.40 125.32 2a24 s VAL 67 Ca -0.02 -0.85 -0.29 0.00 0.00 0.00 0.00 61.98 60.82 2a24 s VAL 67 Cb -0.04 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 33.11 2a24 s VAL 67 CO 0.02 -0.08 1.07 -0.44 0.00 0.00 0.00 175.10 175.67 2a24 s SER 68 N 1.49 7.05 0.51 3.32 0.01 0.12 -4.96 113.70 121.25 2a24 s SER 68 Ca 0.01 1.36 -0.22 0.00 1.31 0.00 0.00 55.95 58.41 2a24 s SER 68 Cb -0.18 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.43 2a24 s SER 68 CO 0.04 -0.72 1.16 0.61 0.41 0.00 0.00 173.24 174.74 2a24 n GLY 69 N 3.45 0.21 2.70 3.44 0.00 -1.26 -2.01 105.19 111.73 2a24 n GLY 69 Ca 0.12 0.04 -0.50 0.00 0.00 0.00 0.00 46.02 45.69 2a24 n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a24 n GLN 70 N -0.53 0.00 -4.71 1.61 10.64 -1.26 -4.74 117.38 118.39 2a24 n GLN 70 Ca 0.10 0.00 -0.32 0.00 -1.83 0.00 0.00 57.00 54.96 2a24 n GLN 70 Cb 0.43 -1.20 -0.08 0.00 -0.86 0.00 0.00 30.24 28.53 2a24 n GLN 70 CO 0.00 0.00 0.00 1.52 -1.83 0.00 0.00 177.06 176.75 2a24 s TYR 71 N 4.25 1.86 -0.37 2.61 -0.85 0.50 -4.79 117.35 120.57 2a24 s TYR 71 Ca 0.94 -1.02 -0.26 0.00 -0.52 0.00 0.00 57.07 56.21 2a24 s TYR 71 Cb -1.20 -1.53 0.02 0.00 0.38 0.00 0.00 41.96 39.63 2a24 s TYR 71 CO 0.56 0.13 0.93 1.03 -1.52 0.00 0.00 175.55 176.68 2a24 s ARG 72 N -3.84 3.85 -0.13 -3.49 0.52 -1.26 -0.79 118.95 113.82 2a24 s ARG 72 Ca 0.10 0.60 -0.06 0.00 -0.52 0.00 0.00 55.73 55.84 2a24 s ARG 72 Cb 0.02 -3.80 -0.04 0.00 0.52 0.00 0.00 34.95 31.65 2a24 s ARG 72 CO 0.05 -0.95 0.10 1.41 0.02 0.00 0.00 175.30 175.93 2a24 s MET 73 N 3.49 3.45 -0.16 3.54 -2.45 0.15 -4.82 119.30 122.51 2a24 s MET 73 Ca 0.39 -0.22 -0.24 0.00 -1.25 0.00 0.00 55.69 54.37 2a24 s MET 73 Cb -0.12 -3.12 -0.02 0.00 1.25 0.00 0.00 34.83 32.82 2a24 s MET 73 CO 0.19 0.67 0.75 -1.17 1.05 0.00 0.00 175.02 176.50 2a24 s LEU 74 N -0.74 4.18 0.58 4.11 2.96 -1.26 -0.48 118.68 128.04 2a24 s LEU 74 Ca 0.13 1.06 0.04 0.00 -0.22 0.00 0.00 54.13 55.15 2a24 s LEU 74 Cb -0.12 -3.10 0.07 0.00 0.50 0.00 0.00 46.19 43.54 2a24 s LEU 74 CO 0.03 -0.32 0.80 0.00 -1.32 0.00 0.00 176.35 175.54 2a24 s ALA 75 N 1.88 4.19 -0.64 5.97 0.00 0.14 -4.92 121.76 128.38 2a24 s ALA 75 Ca 0.35 -1.73 -0.07 0.00 0.00 0.00 0.00 51.96 50.51 2a24 s ALA 75 Cb -0.16 -1.80 -0.16 0.00 0.00 0.00 0.00 23.12 21.00 2a24 s ALA 75 CO 0.12 -0.88 2.92 1.17 0.00 0.00 0.00 175.76 179.10 2a24 n LYS 76 N -2.35 2.36 0.00 0.00 4.81 0.21 -2.86 118.16 120.33 2a24 n LYS 76 Ca 0.12 -1.35 0.00 0.00 -0.87 0.00 0.00 58.31 56.21 2a24 n LYS 76 Cb 0.60 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 33.38 2a24 n LYS 76 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 2a24 n HIS 77 N 3.15 0.00 -3.03 5.64 1.44 -1.26 -4.98 115.22 116.18 2a24 n HIS 77 Ca 0.50 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 56.01 2a24 n HIS 77 Cb 0.51 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.66 2a24 n HIS 77 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2a24 n GLY 78 N 0.00 -0.38 3.33 -1.39 0.00 -1.13 -4.99 105.19 100.62 2a24 n GLY 78 Ca 0.00 0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 2a24 n GLY 78 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a24 s GLY 79 N -2.84 1.54 -0.39 -0.02 0.00 -1.26 -4.93 107.32 99.43 2a24 s GLY 79 Ca 0.32 -0.99 -0.14 0.00 0.00 0.00 0.00 44.72 43.90 2a24 s GLY 79 CO 0.39 0.01 0.29 -0.19 0.00 0.00 0.00 173.10 173.60 2a24 s TYR 80 N 0.73 3.23 0.14 1.90 2.02 -1.24 0.23 117.35 124.36 2a24 s TYR 80 Ca -0.05 -0.47 0.03 0.00 -0.37 0.00 0.00 57.07 56.21 2a24 s TYR 80 Cb -0.15 -2.57 -0.04 0.00 -0.40 0.00 0.00 41.96 38.80 2a24 s TYR 80 CO 0.02 -0.53 0.22 0.14 -1.57 0.00 0.00 175.55 173.83 2a24 s VAL 81 N 1.71 5.04 -0.64 0.71 -7.23 0.37 0.14 120.40 120.50 2a24 s VAL 81 Ca 0.06 -0.77 -0.25 0.00 -1.81 0.00 0.00 61.98 59.20 2a24 s VAL 81 Cb -0.18 -3.56 0.04 0.00 0.56 0.00 0.00 36.38 33.24 2a24 s VAL 81 CO 0.10 -0.06 1.08 0.26 -0.31 0.00 0.00 175.10 176.18 2a24 s TRP 82 N -1.70 2.59 -0.05 2.82 0.52 -1.16 0.35 118.94 122.31 2a24 s TRP 82 Ca 0.33 -0.11 0.06 0.00 0.02 0.00 0.00 56.10 56.40 2a24 s TRP 82 Cb -0.11 -4.36 -0.01 0.00 -1.15 0.00 0.00 33.47 27.84 2a24 s TRP 82 CO 0.27 -1.67 -0.23 -0.51 0.02 0.00 0.00 176.95 174.82 2a24 s LEU 83 N 4.63 2.03 -0.28 2.99 1.43 0.03 -2.32 118.68 127.19 2a24 s LEU 83 Ca 0.31 -0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 52.87 2a24 s LEU 83 Cb -0.12 -1.26 -0.01 0.00 0.03 0.00 0.00 46.19 44.83 2a24 s LEU 83 CO 0.16 0.24 0.09 -0.70 0.23 0.00 0.00 176.35 176.37 2a24 s GLU 84 N -0.20 3.36 -0.27 1.70 2.12 0.26 -0.37 118.70 125.31 2a24 s GLU 84 Ca -0.01 -0.68 -0.09 0.00 0.36 0.00 0.00 54.97 54.55 2a24 s GLU 84 Cb -0.12 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 2a24 s GLU 84 CO 0.02 -0.33 0.12 0.99 -0.54 0.00 0.00 175.26 175.53 2a24 s THR 85 N 1.57 4.74 -0.49 -1.70 2.01 -0.85 0.74 115.64 121.65 2a24 s THR 85 Ca 0.05 -0.05 -0.16 0.00 0.31 0.00 0.00 61.69 61.84 2a24 s THR 85 Cb -0.16 -3.25 0.08 0.00 0.01 0.00 0.00 72.50 69.18 2a24 s THR 85 CO 0.03 0.29 0.44 -1.58 -0.69 0.00 0.00 174.62 173.11 2a24 s GLN 86 N 1.67 3.00 -0.17 4.92 0.74 0.67 0.15 119.66 130.64 2a24 s GLN 86 Ca 0.07 -1.34 -0.09 0.00 0.05 0.00 0.00 55.36 54.04 2a24 s GLN 86 Cb -0.16 -4.15 -0.05 0.00 1.10 0.00 0.00 33.01 29.76 2a24 s GLN 86 CO 0.07 -1.09 0.14 0.20 -0.55 0.00 0.00 175.29 174.05 2a24 s GLY 87 N 2.74 2.09 -0.16 2.59 0.00 0.06 -0.75 107.32 113.88 2a24 s GLY 87 Ca 0.05 -0.67 -0.01 0.00 0.00 0.00 0.00 44.72 44.09 2a24 s GLY 87 CO 0.07 -0.05 -0.03 -1.59 0.00 0.00 0.00 173.10 171.50 2a24 s THR 88 N -0.15 0.94 -0.42 0.90 2.01 0.52 -0.98 115.64 118.46 2a24 s THR 88 Ca 0.11 -0.51 -0.29 0.00 0.31 0.00 0.00 61.69 61.30 2a24 s THR 88 Cb -0.11 -1.15 0.02 0.00 0.01 0.00 0.00 72.50 71.27 2a24 s THR 88 CO 0.00 0.11 1.10 -0.69 -0.69 0.00 0.00 174.62 174.45 2a24 s VAL 89 N 1.71 4.34 -0.12 3.82 1.01 0.21 -0.49 120.40 130.88 2a24 s VAL 89 Ca 0.01 1.40 -0.10 0.00 0.00 0.00 0.00 61.98 63.28 2a24 s VAL 89 Cb -0.15 -4.52 -0.05 0.00 0.00 0.00 0.00 36.38 31.66 2a24 s VAL 89 CO -0.07 -0.80 0.22 0.27 0.00 0.00 0.00 175.10 174.72 2a24 s ILE 90 N 4.11 5.36 0.12 2.22 -4.36 -1.26 -4.88 121.20 122.51 2a24 s ILE 90 Ca 0.46 0.39 0.05 0.00 -0.26 0.00 0.00 60.65 61.29 2a24 s ILE 90 Cb -0.09 -3.52 -0.04 0.00 1.25 0.00 0.00 42.46 40.06 2a24 s ILE 90 CO 0.25 0.54 0.08 -0.31 0.24 0.00 0.00 174.94 175.73 2a24 s TYR 91 N -0.52 3.10 -0.06 1.37 1.51 -1.26 -0.36 117.35 121.13 2a24 s TYR 91 Ca 0.16 -0.00 -0.30 0.00 -1.01 0.00 0.00 57.07 55.92 2a24 s TYR 91 Cb -0.13 -1.54 -0.03 0.00 -0.11 0.00 0.00 41.96 40.16 2a24 s TYR 91 CO 0.05 0.51 1.10 1.21 -1.11 0.00 0.00 175.55 177.31 2a24 s ASN 92 N -2.69 7.17 0.00 2.29 3.84 0.61 -4.88 114.94 121.29 2a24 s ASN 92 Ca 0.29 1.70 0.00 0.00 0.21 0.00 0.00 52.86 55.06 2a24 s ASN 92 Cb -0.11 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.03 2a24 s ASN 92 CO 0.21 -0.48 1.08 -0.81 -2.79 0.00 0.00 177.10 174.31 2a24 n PRO 93 N 4.85 0.66 0.09 0.43 -0.04 -1.26 -0.71 135.00 139.01 2a24 n PRO 93 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2a24 n PRO 93 Cb 0.48 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 2a24 n PRO 93 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2a24 n ARG 94 N 1.31 0.00 0.00 0.54 5.12 -1.26 -4.88 116.66 117.49 2a24 n ARG 94 Ca 0.00 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 56.04 2a24 n ARG 94 Cb 0.33 0.00 0.17 0.00 -1.16 0.00 0.00 32.46 31.80 2a24 n ARG 94 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2a24 n ASN 95 N -3.06 0.78 -1.45 0.55 2.85 -1.24 -4.94 115.26 108.75 2a24 n ASN 95 Ca 0.00 -0.59 -0.17 0.00 -0.11 0.00 0.00 54.58 53.72 2a24 n ASN 95 Cb 0.00 0.41 -0.05 0.00 1.24 0.00 0.00 39.78 41.38 2a24 n ASN 95 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2a24 n LEU 96 N -1.29 -1.36 -4.78 1.20 7.99 0.11 -4.98 117.00 113.89 2a24 n LEU 96 Ca 0.06 0.29 -0.37 0.00 -0.01 0.00 0.00 56.01 55.98 2a24 n LEU 96 Cb 0.34 -2.39 -0.06 0.00 -0.11 0.00 0.00 43.42 41.20 2a24 n LEU 96 CO 0.35 -0.66 0.67 0.00 -1.51 0.00 0.00 177.39 176.23 2a24 s GLN 97 N -3.81 4.55 -0.04 3.23 -2.07 -1.25 -4.59 119.66 115.67 2a24 s GLN 97 Ca 0.00 1.38 -0.30 0.00 -1.82 0.00 0.00 55.36 54.62 2a24 s GLN 97 Cb 0.00 -2.82 -0.05 0.00 -1.09 0.00 0.00 33.01 29.06 2a24 s GLN 97 CO 0.00 0.24 1.44 -2.14 -1.32 0.00 0.00 175.29 173.51 2a24 s PRO 98 N -2.03 4.25 0.00 9.60 0.02 -1.26 -0.28 135.00 145.30 2a24 s PRO 98 Ca 0.50 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.50 2a24 s PRO 98 Cb -0.20 -3.71 0.00 0.00 0.02 0.00 0.00 34.50 30.61 2a24 s PRO 98 CO 0.25 -0.67 0.00 1.04 -0.33 0.00 0.00 177.00 177.30 2a24 n GLN 99 N 6.02 2.28 -2.10 5.54 1.13 0.52 -4.88 117.38 125.88 2a24 n GLN 99 Ca 0.14 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.77 2a24 n GLN 99 Cb 0.44 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.76 2a24 n GLN 99 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2a24 n ILE 101 N 7.31 0.47 -2.08 0.00 5.41 0.14 -4.59 119.36 126.02 2a24 n ILE 101 Ca 0.21 -0.08 -0.42 0.00 1.00 0.00 0.00 62.75 63.45 2a24 n ILE 101 Cb 0.47 -1.90 -0.03 0.00 -0.71 0.00 0.00 39.64 37.47 2a24 n ILE 101 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 2a24 s MET 102 N 3.36 3.30 -0.52 0.38 -1.94 0.36 -1.42 119.30 122.81 2a24 s MET 102 Ca 0.88 1.21 -0.06 0.00 -1.71 0.00 0.00 55.69 56.01 2a24 s MET 102 Cb -0.63 -4.18 0.14 0.00 2.01 0.00 0.00 34.83 32.16 2a24 s MET 102 CO 0.46 -1.90 0.37 0.00 -0.01 0.00 0.00 175.02 173.93 2a24 s VAL 104 N 0.84 4.40 -0.29 0.00 1.01 0.07 -1.35 120.40 125.08 2a24 s VAL 104 Ca 0.10 0.81 -0.15 0.00 0.00 0.00 0.00 61.98 62.74 2a24 s VAL 104 Cb -0.22 -4.48 -0.03 0.00 0.00 0.00 0.00 36.38 31.64 2a24 s VAL 104 CO -0.03 -0.90 0.39 0.21 0.00 0.00 0.00 175.10 174.77 2a24 s ASN 105 N 2.36 6.26 -0.36 3.32 3.84 -0.46 -0.24 114.94 129.66 2a24 s ASN 105 Ca 0.39 0.20 -0.16 0.00 0.21 0.00 0.00 52.86 53.50 2a24 s ASN 105 Cb -0.10 -2.22 -0.00 0.00 -0.55 0.00 0.00 41.25 38.39 2a24 s ASN 105 CO 0.27 -0.24 0.40 -0.31 -2.79 0.00 0.00 177.10 174.43 2a24 s TYR 106 N 2.11 3.19 -0.44 0.43 1.51 0.23 -2.07 117.35 122.31 2a24 s TYR 106 Ca 0.15 -0.10 -0.26 0.00 -1.01 0.00 0.00 57.07 55.86 2a24 s TYR 106 Cb -0.16 -2.76 0.02 0.00 -0.11 0.00 0.00 41.96 38.95 2a24 s TYR 106 CO 0.10 -0.52 0.96 0.08 -1.11 0.00 0.00 175.55 175.06 2a24 s VAL 107 N 2.10 4.46 0.00 0.71 1.01 -1.26 -0.57 120.40 126.85 2a24 s VAL 107 Ca 0.13 0.92 0.00 0.00 0.00 0.00 0.00 61.98 63.02 2a24 s VAL 107 Cb -0.17 -4.44 0.00 0.00 0.00 0.00 0.00 36.38 31.78 2a24 s VAL 107 CO 0.12 -0.79 0.00 0.18 0.00 0.00 0.00 175.10 174.61 2a24 n LEU 108 N 7.17 0.11 -4.97 3.92 4.32 -0.98 -4.62 117.00 121.95 2a24 n LEU 108 Ca 0.07 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.82 2a24 n LEU 108 Cb 0.48 -0.03 0.09 0.00 -1.62 0.00 0.00 43.42 42.35 2a24 n LEU 108 CO 0.64 -0.03 0.56 -0.44 -1.22 0.00 0.00 177.39 176.89 2a24 s SER 109 N -1.19 4.48 0.00 -1.43 0.01 -1.22 -5.03 113.70 109.32 2a24 s SER 109 Ca 0.00 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.16 2a24 s SER 109 Cb 0.00 -0.40 0.00 0.00 0.21 0.00 0.00 66.02 65.83 2a24 s SER 109 CO 0.00 -1.76 0.00 -1.84 0.41 0.00 0.00 173.24 170.05 2a24 n GLU 110 N -2.84 2.74 -2.20 12.44 0.00 -1.26 -3.74 120.64 125.78 2a24 n GLU 110 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.87 2a24 n GLU 110 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 32.01 2a24 n GLU 110 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2a24 s ILE 111 N 1.43 3.27 -2.54 3.84 1.01 -1.26 -3.00 121.20 123.95 2a24 s ILE 111 Ca 0.00 0.97 0.28 0.00 0.00 0.00 0.00 60.65 61.90 2a24 s ILE 111 Cb 0.00 -3.62 0.52 0.00 0.01 0.00 0.00 42.46 39.37 2a24 s ILE 111 CO 0.00 0.11 1.71 1.21 0.00 0.00 0.00 174.94 177.97