#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i59 h MET 1 N 0.00 0.11 -0.54 1.57 -1.53 -1.99 -1.43 114.93 111.12 3i59 h MET 1 Ca 0.00 -0.01 -0.05 0.00 -3.44 0.00 0.00 59.70 56.21 3i59 h MET 1 Cb 0.00 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.00 3i59 h MET 1 CO 0.00 0.07 0.15 -0.44 0.14 0.00 0.00 176.91 176.83 3i59 h ASP 2 N 0.11 0.80 -0.99 1.39 3.45 -1.99 -0.21 116.42 118.98 3i59 h ASP 2 Ca 0.07 -0.22 0.01 0.00 0.43 0.00 0.00 57.03 57.33 3i59 h ASP 2 Cb 0.06 -0.21 -0.05 0.00 -0.56 0.00 0.00 39.33 38.57 3i59 h ASP 2 CO -0.10 0.81 0.65 -0.08 -1.57 0.00 0.00 179.24 178.96 3i59 h GLU 3 N 0.76 1.31 0.20 3.56 4.81 -1.97 -2.66 114.58 120.58 3i59 h GLU 3 Ca 0.17 -0.08 -0.31 0.00 -0.13 0.00 0.00 59.36 59.01 3i59 h GLU 3 Cb 0.31 -0.29 0.02 0.00 0.63 0.00 0.00 28.75 29.41 3i59 h GLU 3 CO -0.00 0.87 -1.45 0.82 -0.73 0.00 0.00 179.01 178.52 3i59 h ILE 4 N 1.34 1.18 -0.31 2.32 2.04 -1.05 -3.35 117.51 119.69 3i59 h ILE 4 Ca 0.36 -2.57 -0.07 0.00 1.00 0.00 0.00 64.86 63.58 3i59 h ILE 4 Cb -0.15 2.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.85 3i59 h ILE 4 CO -0.08 0.79 -0.12 0.25 0.00 0.00 0.00 178.15 179.00 3i59 h LEU 5 N -0.02 0.50 -2.60 1.44 5.85 -1.05 -2.70 115.31 116.74 3i59 h LEU 5 Ca -0.27 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 3i59 h LEU 5 Cb 2.00 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.90 3i59 h LEU 5 CO 0.19 0.66 -0.01 0.00 -0.34 0.00 0.00 178.44 178.94 3i59 h ALA 6 N 1.39 1.30 0.00 1.25 0.00 -1.60 -1.36 119.26 120.24 3i59 h ALA 6 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3i59 h ALA 6 Cb 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3i59 h ALA 6 CO 0.03 0.01 -0.59 -2.13 0.00 0.00 0.00 179.25 176.57 3i59 n ARG 7 N -3.53 0.27 -2.13 0.00 0.63 -1.02 -3.36 116.66 107.51 3i59 n ARG 7 Ca -0.03 0.08 -0.42 0.00 -0.92 0.00 0.00 57.85 56.57 3i59 n ARG 7 Cb 0.09 -1.67 -0.03 0.00 0.45 0.00 0.00 32.46 31.30 3i59 n ARG 7 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i59 s ALA 8 N -3.15 3.60 0.36 5.13 0.00 -0.51 -4.83 121.76 122.35 3i59 s ALA 8 Ca 0.07 1.17 0.14 0.00 0.00 0.00 0.00 51.96 53.34 3i59 s ALA 8 Cb 0.14 -3.53 1.00 0.00 0.00 0.00 0.00 23.12 20.72 3i59 s ALA 8 CO 0.71 -0.63 1.75 0.78 0.00 0.00 0.00 175.76 178.37 3i59 h GLY 9 N 6.16 1.57 1.66 0.00 0.00 -1.87 0.37 103.07 110.95 3i59 h GLY 9 Ca -0.43 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.64 3i59 h GLY 9 CO 0.83 -0.19 0.00 4.51 0.00 0.00 0.00 176.54 181.69 3i59 n ILE 10 N -4.76 0.82 -0.26 2.60 3.06 -1.26 -2.76 119.36 116.81 3i59 n ILE 10 Ca 0.26 0.21 0.00 0.00 -2.50 0.00 0.00 62.75 60.72 3i59 n ILE 10 Cb 0.82 -1.02 0.00 0.00 0.54 0.00 0.00 39.64 39.98 3i59 n ILE 10 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 3i59 n PHE 11 N -1.33 0.00 -1.80 9.51 0.99 0.12 -4.99 117.46 119.96 3i59 n PHE 11 Ca 0.05 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.08 3i59 n PHE 11 Cb 0.10 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.55 3i59 n PHE 11 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3i59 s GLN 12 N -0.22 4.15 0.00 -1.08 -0.21 -0.72 -1.56 119.66 120.02 3i59 s GLN 12 Ca 0.00 2.53 0.00 0.00 0.02 0.00 0.00 55.36 57.91 3i59 s GLN 12 Cb 0.00 -3.08 0.00 0.00 1.00 0.00 0.00 33.01 30.93 3i59 s GLN 12 CO 0.00 -0.68 0.00 0.41 -2.12 0.00 0.00 175.29 172.90 3i59 n GLY 13 N 3.39 2.85 3.71 3.09 0.00 -1.26 -4.95 105.19 112.02 3i59 n GLY 13 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3i59 n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i59 s VAL 14 N -0.78 3.17 0.84 1.61 1.01 -0.60 -5.01 120.40 120.65 3i59 s VAL 14 Ca 0.00 0.82 -0.11 0.00 0.00 0.00 0.00 61.98 62.69 3i59 s VAL 14 Cb 0.00 -3.52 0.10 0.00 0.00 0.00 0.00 36.38 32.95 3i59 s VAL 14 CO 0.00 0.06 1.11 -1.83 0.00 0.00 0.00 175.10 174.43 3i59 s GLU 15 N 1.29 1.68 0.00 2.72 -1.05 -1.26 -4.82 118.70 117.26 3i59 s GLU 15 Ca 0.66 1.22 -0.06 0.00 -0.15 0.00 0.00 54.97 56.65 3i59 s GLU 15 Cb -0.38 -1.83 -0.07 0.00 -0.44 0.00 0.00 34.13 31.41 3i59 s GLU 15 CO 0.30 -2.07 0.86 -2.30 0.95 0.00 0.00 175.26 173.01 3i59 n PRO 16 N -3.82 0.00 -1.74 -4.83 -0.02 -1.26 -5.14 135.00 118.19 3i59 n PRO 16 Ca 0.09 -0.45 -0.30 0.00 -2.02 0.00 0.00 63.50 60.82 3i59 n PRO 16 Cb 0.53 -1.81 0.06 0.00 -0.02 0.00 0.00 33.50 32.27 3i59 n PRO 16 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i59 s SER 17 N 4.37 5.07 -1.01 2.55 0.15 -1.26 -5.30 113.70 118.28 3i59 s SER 17 Ca 0.13 1.22 -0.01 0.00 0.70 0.00 0.00 55.95 57.99 3i59 s SER 17 Cb 0.03 -2.00 0.32 0.00 -1.71 0.00 0.00 66.02 62.66 3i59 s SER 17 CO 0.06 -1.59 1.85 1.67 1.20 0.00 0.00 173.24 176.43 3i59 n GLN 25 N -3.18 5.20 -2.35 5.44 -0.06 -1.26 -5.16 117.38 116.01 3i59 n GLN 25 Ca 0.07 -4.56 -0.41 0.00 -2.00 0.00 0.00 57.00 50.09 3i59 n GLN 25 Cb 0.57 -2.45 -0.03 0.00 -4.06 0.00 0.00 30.24 24.27 3i59 n GLN 25 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 3i59 s LEU 26 N -4.31 3.38 -0.12 1.69 1.98 -1.26 -4.97 118.68 115.06 3i59 s LEU 26 Ca 0.40 0.28 -0.27 0.00 -2.89 0.00 0.00 54.13 51.65 3i59 s LEU 26 Cb 0.21 -2.99 -0.02 0.00 0.66 0.00 0.00 46.19 44.06 3i59 s LEU 26 CO -0.16 -1.78 0.90 -1.58 -1.89 0.00 0.00 176.35 171.84 3i59 s GLN 27 N 5.68 4.38 0.22 1.98 0.74 -1.26 -4.91 119.66 126.49 3i59 s GLN 27 Ca 0.54 1.19 -0.32 0.00 0.05 0.00 0.00 55.36 56.82 3i59 s GLN 27 Cb -0.11 -3.54 -0.11 0.00 1.10 0.00 0.00 33.01 30.34 3i59 s GLN 27 CO 0.24 -0.27 1.67 -2.14 -0.55 0.00 0.00 175.29 174.24 3i59 s PRO 28 N 1.89 4.14 0.17 1.67 0.02 -1.26 -4.78 135.00 136.84 3i59 s PRO 28 Ca 0.43 2.56 0.03 0.00 0.02 0.00 0.00 61.00 64.04 3i59 s PRO 28 Cb -0.18 -3.08 -0.03 0.00 0.02 0.00 0.00 34.50 31.23 3i59 s PRO 28 CO 0.16 -0.70 0.30 0.54 -0.33 0.00 0.00 177.00 176.97 3i59 s VAL 29 N 0.93 5.31 -0.01 3.83 0.11 0.83 -4.91 120.40 126.49 3i59 s VAL 29 Ca 0.72 -0.71 0.06 0.00 -2.93 0.00 0.00 61.98 59.12 3i59 s VAL 29 Cb -0.48 -3.76 -0.03 0.00 -1.53 0.00 0.00 36.38 30.58 3i59 s VAL 29 CO 0.35 -0.13 -0.19 -1.81 -3.33 0.00 0.00 175.10 169.99 3i59 s ASP 30 N -3.34 3.68 0.05 3.54 1.01 -1.26 -1.09 116.67 119.25 3i59 s ASP 30 Ca 0.35 -0.34 0.07 0.00 0.71 0.00 0.00 52.55 53.33 3i59 s ASP 30 Cb -0.11 -0.63 -0.02 0.00 1.01 0.00 0.00 42.92 43.17 3i59 s ASP 30 CO 0.29 0.31 -0.19 -0.36 0.21 0.00 0.00 175.17 175.42 3i59 s PHE 31 N -0.76 1.69 0.82 4.23 0.40 0.76 -5.01 117.98 120.12 3i59 s PHE 31 Ca 0.12 -0.37 -0.11 0.00 -0.60 0.00 0.00 56.93 55.96 3i59 s PHE 31 Cb -0.10 -1.00 0.08 0.00 0.51 0.00 0.00 43.02 42.50 3i59 s PHE 31 CO 0.01 0.09 1.09 -2.14 0.70 0.00 0.00 175.22 174.97 3i59 s PRO 32 N -1.20 1.89 0.57 0.24 0.02 -1.26 -1.85 135.00 133.41 3i59 s PRO 32 Ca 0.06 0.74 -0.20 0.00 0.02 0.00 0.00 61.00 61.62 3i59 s PRO 32 Cb -0.09 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 3i59 s PRO 32 CO 0.02 -1.78 1.31 -0.98 -0.33 0.00 0.00 177.00 175.24 3i59 s ARG 33 N -5.07 3.01 -0.63 5.54 3.03 -1.25 -3.14 118.95 120.43 3i59 s ARG 33 Ca 0.61 2.11 0.00 0.00 2.03 0.00 0.00 55.73 60.48 3i59 s ARG 33 Cb -0.16 -2.12 0.00 0.00 -1.03 0.00 0.00 34.95 31.65 3i59 s ARG 33 CO 0.55 -1.26 0.00 0.41 -1.13 0.00 0.00 175.30 173.88 3i59 n GLY 34 N 0.72 0.77 3.73 3.88 0.00 -0.62 -4.96 105.19 108.72 3i59 n GLY 34 Ca 0.12 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 3i59 n GLY 34 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i59 s HIS 35 N -1.97 3.65 -0.40 1.61 5.04 -1.19 -4.84 115.29 117.18 3i59 s HIS 35 Ca 0.00 1.33 -0.26 0.00 -1.54 0.00 0.00 55.06 54.58 3i59 s HIS 35 Cb 0.00 -2.79 0.02 0.00 0.04 0.00 0.00 32.58 29.85 3i59 s HIS 35 CO 0.00 0.18 0.96 0.95 -2.34 0.00 0.00 174.74 174.49 3i59 s THR 36 N 0.39 4.51 0.08 0.89 -4.23 -1.26 -1.04 115.64 114.98 3i59 s THR 36 Ca 0.37 1.12 -0.19 0.00 -1.18 0.00 0.00 61.69 61.81 3i59 s THR 36 Cb -0.19 -4.40 -0.09 0.00 1.34 0.00 0.00 72.50 69.17 3i59 s THR 36 CO 0.20 -0.66 1.55 0.58 -0.54 0.00 0.00 174.62 175.75 3i59 h VAL 37 N 5.93 1.23 -3.25 2.29 2.07 -0.96 -3.46 116.25 120.10 3i59 h VAL 37 Ca -0.23 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 3i59 h VAL 37 Cb 1.07 1.30 -0.12 0.00 -1.52 0.00 0.00 31.29 32.03 3i59 h VAL 37 CO 1.01 0.23 0.04 0.72 0.02 0.00 0.00 177.57 179.60 3i59 s PHE 38 N -5.18 -0.27 0.21 1.57 -0.12 -1.21 -5.01 117.98 107.97 3i59 s PHE 38 Ca -0.14 -0.03 0.07 0.00 -0.05 0.00 0.00 56.93 56.78 3i59 s PHE 38 Cb 0.07 0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 42.82 3i59 s PHE 38 CO 0.73 -0.82 0.10 0.00 -0.05 0.00 0.00 175.22 175.17 3i59 s ALA 39 N -3.81 3.42 0.09 1.99 0.00 -1.26 -1.79 121.76 120.40 3i59 s ALA 39 Ca 0.05 -1.38 -0.33 0.00 0.00 0.00 0.00 51.96 50.30 3i59 s ALA 39 Cb -0.00 -1.16 -0.12 0.00 0.00 0.00 0.00 23.12 21.83 3i59 s ALA 39 CO -0.09 0.39 1.73 -1.91 0.00 0.00 0.00 175.76 175.88 3i59 n GLU 40 N -0.62 2.36 0.00 0.00 2.13 -1.22 -2.54 120.64 120.76 3i59 n GLU 40 Ca -0.08 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.59 3i59 n GLU 40 Cb 0.56 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.59 3i59 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i59 n GLY 41 N 3.91 2.99 3.76 8.31 0.00 -0.51 -4.94 105.19 118.71 3i59 n GLY 41 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3i59 n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i59 s GLU 42 N -0.86 2.77 0.55 1.61 2.02 -1.05 -4.46 118.70 119.29 3i59 s GLU 42 Ca 0.00 1.54 -0.20 0.00 0.02 0.00 0.00 54.97 56.33 3i59 s GLU 42 Cb 0.00 -1.93 -0.05 0.00 0.10 0.00 0.00 34.13 32.24 3i59 s GLU 42 CO 0.00 -1.30 1.18 -2.14 0.02 0.00 0.00 175.26 173.02 3i59 s PRO 43 N -3.86 3.26 -0.04 0.39 0.02 -1.26 -0.99 135.00 132.52 3i59 s PRO 43 Ca 0.70 1.75 0.01 0.00 0.02 0.00 0.00 61.00 63.49 3i59 s PRO 43 Cb -0.24 -2.05 0.02 0.00 0.02 0.00 0.00 34.50 32.25 3i59 s PRO 43 CO 0.39 -0.95 -0.05 0.20 -0.33 0.00 0.00 177.00 176.26 3i59 s GLY 44 N -1.59 0.44 -0.06 0.52 0.00 -1.26 -4.83 107.32 100.54 3i59 s GLY 44 Ca 0.73 -0.06 0.09 0.00 0.00 0.00 0.00 44.72 45.48 3i59 s GLY 44 CO 0.32 0.38 1.02 1.22 0.00 0.00 0.00 173.10 176.03 3i59 n ASP 45 N 3.95 1.52 -3.70 1.64 9.92 -1.26 -4.63 116.55 124.00 3i59 n ASP 45 Ca -0.25 -2.40 -0.11 0.00 -0.53 0.00 0.00 54.79 51.50 3i59 n ASP 45 Cb 0.51 -0.24 -0.10 0.00 -0.64 0.00 0.00 41.12 40.65 3i59 n ASP 45 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 3i59 s ARG 46 N -1.54 0.49 0.22 -1.24 3.52 -1.26 -3.51 118.95 115.63 3i59 s ARG 46 Ca 0.15 0.77 0.07 0.00 -0.13 0.00 0.00 55.73 56.59 3i59 s ARG 46 Cb 0.13 0.12 -0.04 0.00 -1.56 0.00 0.00 34.95 33.60 3i59 s ARG 46 CO 0.01 -0.12 0.14 -0.48 -0.81 0.00 0.00 175.30 174.05 3i59 s LEU 47 N 0.91 3.69 0.03 -0.88 -0.00 0.06 -4.71 118.68 117.78 3i59 s LEU 47 Ca -0.05 -0.28 0.07 0.00 -0.00 0.00 0.00 54.13 53.87 3i59 s LEU 47 Cb -0.06 -2.25 -0.02 0.00 -0.00 0.00 0.00 46.19 43.86 3i59 s LEU 47 CO -0.07 0.01 -0.21 -0.31 -0.00 0.00 0.00 176.35 175.76 3i59 s TYR 48 N -2.02 1.87 -0.19 3.48 1.51 -0.35 -0.72 117.35 120.93 3i59 s TYR 48 Ca 0.32 -0.37 -0.02 0.00 -1.01 0.00 0.00 57.07 55.98 3i59 s TYR 48 Cb -0.08 -1.13 -0.00 0.00 -0.11 0.00 0.00 41.96 40.63 3i59 s TYR 48 CO 0.23 0.07 -0.10 0.42 -1.11 0.00 0.00 175.55 175.07 3i59 s ILE 49 N -0.74 3.00 0.11 2.71 1.09 0.17 -1.56 121.20 125.97 3i59 s ILE 49 Ca 0.08 -0.63 -0.30 0.00 -1.10 0.00 0.00 60.65 58.69 3i59 s ILE 49 Cb -0.09 -2.33 -0.07 0.00 -1.06 0.00 0.00 42.46 38.92 3i59 s ILE 49 CO 0.01 0.47 1.23 -0.63 -0.10 0.00 0.00 174.94 175.92 3i59 s ILE 50 N 1.22 3.77 -0.24 2.92 1.01 -0.83 -0.98 121.20 128.08 3i59 s ILE 50 Ca 0.02 1.33 -0.01 0.00 0.00 0.00 0.00 60.65 62.00 3i59 s ILE 50 Cb -0.14 -3.85 -0.18 0.00 0.01 0.00 0.00 42.46 38.30 3i59 s ILE 50 CO -0.04 0.14 -0.15 -0.38 0.00 0.00 0.00 174.94 174.50 3i59 n ILE 51 N 3.50 1.53 -3.62 2.92 5.41 0.19 -0.56 119.36 128.74 3i59 n ILE 51 Ca 0.08 -0.56 -0.16 0.00 1.00 0.00 0.00 62.75 63.11 3i59 n ILE 51 Cb 0.45 -1.50 -0.07 0.00 -0.71 0.00 0.00 39.64 37.81 3i59 n ILE 51 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3i59 s SER 52 N -6.67 -0.48 0.00 4.38 1.04 -0.87 -4.70 113.70 106.40 3i59 s SER 52 Ca -0.34 0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.61 3i59 s SER 52 Cb 0.09 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.72 3i59 s SER 52 CO 0.61 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.93 3i59 n GLY 53 N 1.20 0.26 3.21 7.32 0.00 -1.25 -1.62 105.19 114.30 3i59 n GLY 53 Ca -0.20 -2.00 -0.24 0.00 0.00 0.00 0.00 46.02 43.58 3i59 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i59 s LYS 54 N -1.20 1.32 -0.06 1.61 1.02 -1.26 -3.83 119.74 117.35 3i59 s LYS 54 Ca 0.00 -0.81 0.03 0.00 0.02 0.00 0.00 55.97 55.21 3i59 s LYS 54 Cb 0.00 -1.37 0.01 0.00 -0.52 0.00 0.00 37.83 35.95 3i59 s LYS 54 CO 0.00 0.36 -0.13 0.08 -0.92 0.00 0.00 175.35 174.73 3i59 s VAL 55 N -0.69 1.19 -0.07 3.17 1.01 -1.26 0.26 120.40 124.02 3i59 s VAL 55 Ca 0.06 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 3i59 s VAL 55 Cb -0.08 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 3i59 s VAL 55 CO 0.01 0.36 0.18 -1.59 0.00 0.00 0.00 175.10 174.06 3i59 s LYS 56 N 0.44 3.47 -0.25 2.72 -2.85 0.83 -4.41 119.74 119.70 3i59 s LYS 56 Ca -0.11 -0.17 -0.05 0.00 -1.00 0.00 0.00 55.97 54.64 3i59 s LYS 56 Cb -0.14 -3.15 -0.00 0.00 -2.06 0.00 0.00 37.83 32.48 3i59 s LYS 56 CO 0.03 0.73 0.01 0.42 0.10 0.00 0.00 175.35 176.64 3i59 s ILE 57 N -1.16 3.62 0.06 3.79 -1.09 -0.20 -1.21 121.20 125.01 3i59 s ILE 57 Ca 0.21 -0.56 0.08 0.00 -2.23 0.00 0.00 60.65 58.15 3i59 s ILE 57 Cb -0.12 -2.74 -0.03 0.00 -1.58 0.00 0.00 42.46 37.99 3i59 s ILE 57 CO 0.11 0.29 -0.21 -0.83 -1.23 0.00 0.00 174.94 173.06 3i59 s GLY 58 N 1.49 1.17 -0.11 6.18 0.00 -0.36 -0.49 107.32 115.20 3i59 s GLY 58 Ca 0.04 -1.12 0.01 0.00 0.00 0.00 0.00 44.72 43.65 3i59 s GLY 58 CO -0.01 -1.06 -0.11 -1.60 0.00 0.00 0.00 173.10 170.32 3i59 s ARG 59 N -1.37 1.78 0.28 2.90 3.52 -0.76 -0.39 118.95 124.92 3i59 s ARG 59 Ca 0.08 -0.38 -0.29 0.00 -0.13 0.00 0.00 55.73 55.00 3i59 s ARG 59 Cb -0.09 -1.67 -0.10 0.00 -1.56 0.00 0.00 34.95 31.52 3i59 s ARG 59 CO 0.02 -0.17 1.40 -0.98 -0.81 0.00 0.00 175.30 174.77 3i59 s ARG 60 N 1.34 4.28 0.82 5.12 1.04 -1.26 -1.61 118.95 128.69 3i59 s ARG 60 Ca -0.01 2.29 -0.11 0.00 -1.04 0.00 0.00 55.73 56.87 3i59 s ARG 60 Cb -0.14 -3.09 0.12 0.00 -2.04 0.00 0.00 34.95 29.80 3i59 s ARG 60 CO -0.05 -0.36 1.16 0.00 -0.04 0.00 0.00 175.30 176.01 3i59 s ALA 61 N -0.42 2.77 0.56 7.88 0.00 -1.26 -4.86 121.76 126.43 3i59 s ALA 61 Ca 0.56 -1.03 0.49 0.00 0.00 0.00 0.00 51.96 51.97 3i59 s ALA 61 Cb -0.41 -2.69 1.68 0.00 0.00 0.00 0.00 23.12 21.70 3i59 s ALA 61 CO 0.47 -1.80 1.56 -1.35 0.00 0.00 0.00 175.76 174.65 3i59 h PRO 62 N -1.06 0.00 0.00 0.00 0.11 -2.07 -3.45 132.00 125.52 3i59 h PRO 62 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3i59 h PRO 62 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3i59 h PRO 62 CO 0.52 0.00 -0.09 -0.44 -0.21 0.00 0.00 178.00 177.78 3i59 h ASP 63 N 0.00 0.00 -1.00 -2.05 5.19 -2.02 -3.56 116.42 112.98 3i59 h ASP 63 Ca 0.90 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 57.39 3i59 h ASP 63 Cb 3.68 0.00 -0.21 0.00 0.18 0.00 0.00 39.33 42.98 3i59 h ASP 63 CO -0.01 0.14 -0.28 -0.70 -3.12 0.00 0.00 179.24 175.27 3i59 s GLU 66 N -1.23 0.57 -0.14 3.56 2.12 -1.26 -5.06 118.70 117.25 3i59 s GLU 66 Ca -0.03 0.95 -0.04 0.00 0.36 0.00 0.00 54.97 56.21 3i59 s GLU 66 Cb 0.00 0.52 -0.03 0.00 0.26 0.00 0.00 34.13 34.88 3i59 s GLU 66 CO 0.04 -0.67 0.01 0.54 -0.54 0.00 0.00 175.26 174.64 3i59 s ASN 67 N 2.86 5.21 0.22 -1.70 2.20 -0.63 -4.92 114.94 118.18 3i59 s ASN 67 Ca 0.20 0.04 -0.30 0.00 -0.94 0.00 0.00 52.86 51.86 3i59 s ASN 67 Cb -0.14 -1.73 -0.09 0.00 -2.00 0.00 0.00 41.25 37.29 3i59 s ASN 67 CO -0.22 0.25 0.93 -0.76 -2.94 0.00 0.00 177.10 174.37 3i59 s LEU 68 N -0.11 4.63 -0.20 3.54 1.43 -0.69 -1.83 118.68 125.45 3i59 s LEU 68 Ca 0.04 1.91 0.04 0.00 -1.03 0.00 0.00 54.13 55.10 3i59 s LEU 68 Cb -0.13 -3.59 -0.15 0.00 0.03 0.00 0.00 46.19 42.36 3i59 s LEU 68 CO 0.02 0.14 -0.13 0.18 0.23 0.00 0.00 176.35 176.78 3i59 n LEU 69 N 1.65 2.34 -3.67 1.79 4.77 0.36 -4.36 117.00 119.89 3i59 n LEU 69 Ca -0.02 -0.09 -0.07 0.00 -0.03 0.00 0.00 56.01 55.81 3i59 n LEU 69 Cb 0.47 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 3i59 n LEU 69 CO 0.50 0.75 0.61 0.28 -1.33 0.00 0.00 177.39 178.20 3i59 s THR 70 N -2.41 0.00 0.12 -5.08 -1.32 -1.23 -5.03 115.64 100.69 3i59 s THR 70 Ca -0.24 -0.48 0.01 0.00 -1.21 0.00 0.00 61.69 59.77 3i59 s THR 70 Cb 0.07 -1.61 0.01 0.00 -1.51 0.00 0.00 72.50 69.45 3i59 s THR 70 CO 0.52 0.00 0.05 -0.38 -2.21 0.00 0.00 174.62 172.60 3i59 n ILE 71 N -0.40 0.00 -3.58 5.08 2.08 -1.26 -1.04 119.36 120.24 3i59 n ILE 71 Ca -0.08 -0.49 0.00 0.00 0.56 0.00 0.00 62.75 62.74 3i59 n ILE 71 Cb 0.61 -0.20 0.00 0.00 -0.75 0.00 0.00 39.64 39.30 3i59 n ILE 71 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3i59 n GLY 73 N 3.62 0.54 3.64 7.39 0.00 -1.26 -4.93 105.19 114.19 3i59 n GLY 73 Ca -0.02 -0.72 -0.50 0.00 0.00 0.00 0.00 46.02 44.78 3i59 n GLY 73 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i59 n PRO 74 N 0.00 1.61 0.00 1.61 -0.02 -1.25 -1.71 135.00 135.24 3i59 n PRO 74 Ca 0.00 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3i59 n PRO 74 Cb 0.00 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 3i59 n PRO 74 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3i59 n SER 75 N 3.59 0.00 -4.83 2.55 7.64 0.28 -5.00 113.62 117.84 3i59 n SER 75 Ca 0.19 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.76 3i59 n SER 75 Cb 0.23 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.46 3i59 n SER 75 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3i59 s ASP 76 N -1.23 5.69 -0.08 6.43 1.01 -0.69 -4.14 116.67 123.66 3i59 s ASP 76 Ca 0.00 1.58 0.03 0.00 0.71 0.00 0.00 52.55 54.88 3i59 s ASP 76 Cb 0.00 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.44 3i59 s ASP 76 CO 0.00 -1.23 -0.18 -0.32 0.21 0.00 0.00 175.17 173.64 3i59 s MET 77 N -4.94 2.32 0.11 8.23 -2.45 -1.26 -1.96 119.30 119.36 3i59 s MET 77 Ca 0.58 -0.66 0.02 0.00 -1.25 0.00 0.00 55.69 54.38 3i59 s MET 77 Cb -0.13 -1.84 -0.04 0.00 1.25 0.00 0.00 34.83 34.07 3i59 s MET 77 CO 0.52 0.14 -0.07 -0.59 1.05 0.00 0.00 175.02 176.07 3i59 s PHE 78 N 0.40 0.99 -0.29 4.11 -0.71 -0.60 -4.85 117.98 117.02 3i59 s PHE 78 Ca -0.15 -0.90 0.00 0.00 -1.04 0.00 0.00 56.93 54.85 3i59 s PHE 78 Cb -0.16 -0.55 0.00 0.00 -1.21 0.00 0.00 43.02 41.09 3i59 s PHE 78 CO 0.06 -0.11 0.00 0.41 -1.34 0.00 0.00 175.22 174.23 3i59 n GLY 79 N -0.09 0.54 0.11 1.99 0.00 -1.26 -1.21 105.19 105.28 3i59 n GLY 79 Ca -0.11 -0.92 0.12 0.00 0.00 0.00 0.00 46.02 45.11 3i59 n GLY 79 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3i59 h GLU 80 N 0.00 0.00 0.15 1.61 9.09 -1.89 -3.36 114.58 120.18 3i59 h GLU 80 Ca -0.06 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.36 3i59 h GLU 80 Cb 0.33 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.41 3i59 h GLU 80 CO 0.09 0.00 -0.22 -0.07 0.05 0.00 0.00 179.01 178.86 3i59 h LEU 81 N 0.00 -0.60 -0.55 3.06 3.38 -1.94 0.87 115.31 119.53 3i59 h LEU 81 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3i59 h LEU 81 Cb 0.92 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3i59 h LEU 81 CO 0.00 -0.31 0.00 -1.54 0.09 0.00 0.00 178.44 176.68 3i59 n SER 82 N -5.34 0.55 0.07 -0.43 3.41 -1.26 0.80 113.62 111.42 3i59 n SER 82 Ca -0.07 0.63 -0.23 0.00 -0.26 0.00 0.00 58.87 58.94 3i59 n SER 82 Cb 0.25 -0.75 -0.15 0.00 -0.26 0.00 0.00 64.21 63.31 3i59 n SER 82 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3i59 h ILE 83 N 0.00 1.08 0.16 -1.33 5.03 -1.62 -3.20 117.51 117.63 3i59 h ILE 83 Ca 0.00 -2.53 -0.29 0.00 -0.12 0.00 0.00 64.86 61.91 3i59 h ILE 83 Cb 0.35 2.86 0.02 0.00 -3.03 0.00 0.00 36.82 37.02 3i59 h ILE 83 CO 0.00 0.81 -1.29 -0.26 -0.68 0.00 0.00 178.15 176.72 3i59 h PHE 84 N -0.01 0.76 -2.81 1.37 0.04 -0.17 -3.39 116.94 112.73 3i59 h PHE 84 Ca -0.30 -0.52 -0.61 0.00 2.80 0.00 0.00 57.97 59.34 3i59 h PHE 84 Cb 2.01 -0.04 -0.40 0.00 2.20 0.00 0.00 35.95 39.71 3i59 h PHE 84 CO 0.12 1.39 -0.75 0.34 -0.60 0.00 0.00 178.31 178.82 3i59 s ASP 85 N -7.34 3.39 -0.16 2.17 2.15 0.24 -5.08 116.67 112.04 3i59 s ASP 85 Ca -0.07 -3.38 -0.41 0.00 0.43 0.00 0.00 52.55 49.12 3i59 s ASP 85 Cb 0.06 -1.10 -0.19 0.00 -0.30 0.00 0.00 42.92 41.39 3i59 s ASP 85 CO 0.91 -0.14 1.33 -2.65 -0.17 0.00 0.00 175.17 174.45 3i59 n PRO 86 N 2.54 0.30 -3.24 4.34 -0.02 -1.21 -4.34 135.00 133.37 3i59 n PRO 86 Ca 0.22 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3i59 n PRO 86 Cb 0.40 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 3i59 n PRO 86 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i59 n GLY 87 N 2.64 -1.51 3.84 -1.23 0.00 -1.26 -5.02 105.19 102.66 3i59 n GLY 87 Ca 0.24 -1.07 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 3i59 n GLY 87 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i59 s PRO 88 N -1.87 2.96 0.26 1.61 0.02 -1.26 -4.17 135.00 132.55 3i59 s PRO 88 Ca 0.00 0.75 -0.31 0.00 0.02 0.00 0.00 61.00 61.46 3i59 s PRO 88 Cb 0.00 -2.01 -0.12 0.00 0.02 0.00 0.00 34.50 32.39 3i59 s PRO 88 CO 0.00 -1.03 1.62 0.54 -0.33 0.00 0.00 177.00 177.80 3i59 n ARG 89 N -3.05 2.67 0.00 5.54 5.12 -0.16 -4.80 116.66 121.97 3i59 n ARG 89 Ca 0.07 0.95 0.15 0.00 -1.93 0.00 0.00 57.85 57.09 3i59 n ARG 89 Cb 0.55 -2.75 0.72 0.00 -1.16 0.00 0.00 32.46 29.82 3i59 n ARG 89 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3i59 n THR 90 N 2.68 0.00 -3.87 0.55 -2.24 -1.26 -1.42 114.28 108.72 3i59 n THR 90 Ca 0.11 -0.03 -0.04 0.00 -2.27 0.00 0.00 64.05 61.82 3i59 n THR 90 Cb 0.36 -0.29 0.02 0.00 -2.10 0.00 0.00 70.33 68.31 3i59 n THR 90 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3i59 s SER 91 N -2.42 0.00 0.20 3.42 1.04 -1.26 -4.89 113.70 109.79 3i59 s SER 91 Ca 0.32 -0.75 -0.03 0.00 0.48 0.00 0.00 55.95 55.97 3i59 s SER 91 Cb 0.20 0.56 -0.05 0.00 0.10 0.00 0.00 66.02 66.83 3i59 s SER 91 CO 0.45 -1.10 0.42 -0.44 0.98 0.00 0.00 173.24 173.55 3i59 s SER 92 N -3.35 6.43 -0.15 7.02 0.01 0.48 -3.38 113.70 120.76 3i59 s SER 92 Ca 0.21 0.53 0.02 0.00 1.31 0.00 0.00 55.95 58.02 3i59 s SER 92 Cb -0.03 -2.06 0.01 0.00 0.21 0.00 0.00 66.02 64.15 3i59 s SER 92 CO 0.06 -0.05 -0.20 0.00 0.41 0.00 0.00 173.24 173.46 3i59 s ALA 93 N -1.85 2.21 -0.08 1.44 0.00 -0.74 -1.23 121.76 121.51 3i59 s ALA 93 Ca 0.40 -1.10 -0.00 0.00 0.00 0.00 0.00 51.96 51.26 3i59 s ALA 93 Cb -0.11 -1.06 0.02 0.00 0.00 0.00 0.00 23.12 21.97 3i59 s ALA 93 CO 0.28 -0.18 -0.05 0.99 0.00 0.00 0.00 175.76 176.80 3i59 s THR 94 N 1.05 0.75 0.45 0.00 2.01 -0.35 -0.19 115.64 119.36 3i59 s THR 94 Ca -0.02 -0.15 -0.24 0.00 0.31 0.00 0.00 61.69 61.60 3i59 s THR 94 Cb -0.14 -0.80 -0.07 0.00 0.01 0.00 0.00 72.50 71.49 3i59 s THR 94 CO -0.07 0.31 1.25 0.42 -0.69 0.00 0.00 174.62 175.84 3i59 s THR 95 N 1.56 2.75 -0.01 -0.82 -4.23 -0.21 -0.12 115.64 114.56 3i59 s THR 95 Ca 0.00 0.61 0.06 0.00 -1.18 0.00 0.00 61.69 61.18 3i59 s THR 95 Cb -0.13 -3.33 -0.08 0.00 1.34 0.00 0.00 72.50 70.29 3i59 s THR 95 CO -0.05 0.04 0.12 2.30 -0.54 0.00 0.00 174.62 176.48 3i59 n ILE 96 N -0.30 0.02 -4.53 2.99 -5.35 0.14 -1.58 119.36 110.74 3i59 n ILE 96 Ca 0.06 -0.13 -0.31 0.00 -0.27 0.00 0.00 62.75 62.10 3i59 n ILE 96 Cb 0.46 0.30 -0.06 0.00 -1.74 0.00 0.00 39.64 38.60 3i59 n ILE 96 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3i59 s THR 97 N -2.37 1.29 0.36 7.28 -4.23 -1.17 -4.61 115.64 112.20 3i59 s THR 97 Ca -0.02 -1.87 -0.28 0.00 -1.18 0.00 0.00 61.69 58.34 3i59 s THR 97 Cb 0.03 -2.16 -0.11 0.00 1.34 0.00 0.00 72.50 71.60 3i59 s THR 97 CO 0.23 0.00 1.52 -1.61 -0.54 0.00 0.00 174.62 174.21 3i59 s GLU 98 N -3.98 4.10 -0.05 3.99 2.02 -1.26 -3.80 118.70 119.72 3i59 s GLU 98 Ca 0.13 2.59 0.04 0.00 0.02 0.00 0.00 54.97 57.74 3i59 s GLU 98 Cb 0.01 -2.98 0.00 0.00 0.10 0.00 0.00 34.13 31.26 3i59 s GLU 98 CO 0.08 -0.57 -0.16 0.08 0.02 0.00 0.00 175.26 174.72 3i59 s VAL 99 N -0.88 1.32 -0.18 2.63 1.01 -0.77 -3.93 120.40 119.61 3i59 s VAL 99 Ca 0.55 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 3i59 s VAL 99 Cb -0.47 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 3i59 s VAL 99 CO 0.60 0.39 -0.10 -0.60 0.00 0.00 0.00 175.10 175.39 3i59 s ARG 100 N 0.17 3.34 0.06 2.72 3.52 -0.64 -0.17 118.95 127.95 3i59 s ARG 100 Ca -0.06 -0.67 -0.00 0.00 -0.13 0.00 0.00 55.73 54.87 3i59 s ARG 100 Cb -0.12 -2.79 -0.04 0.00 -1.56 0.00 0.00 34.95 30.44 3i59 s ARG 100 CO 0.02 -0.02 -0.04 0.00 -0.81 0.00 0.00 175.30 174.46 3i59 s ALA 101 N 0.95 0.57 -0.06 6.12 0.00 -0.25 -0.64 121.76 128.46 3i59 s ALA 101 Ca -0.02 -1.13 0.05 0.00 0.00 0.00 0.00 51.96 50.87 3i59 s ALA 101 Cb -0.15 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 3i59 s ALA 101 CO -0.01 -0.29 -0.23 0.54 0.00 0.00 0.00 175.76 175.78 3i59 s VAL 102 N -3.36 1.89 0.20 0.00 0.11 -0.15 -0.12 120.40 118.97 3i59 s VAL 102 Ca 0.04 -0.97 0.09 0.00 -2.93 0.00 0.00 61.98 58.22 3i59 s VAL 102 Cb 0.04 -1.61 -0.04 0.00 -1.53 0.00 0.00 36.38 33.24 3i59 s VAL 102 CO -0.07 0.53 -0.19 -0.94 -3.33 0.00 0.00 175.10 171.10 3i59 s SER 103 N -0.05 2.96 -0.03 3.54 1.04 -1.26 0.42 113.70 120.32 3i59 s SER 103 Ca -0.05 -0.93 -0.13 0.00 0.48 0.00 0.00 55.95 55.32 3i59 s SER 103 Cb -0.14 -0.20 0.02 0.00 0.10 0.00 0.00 66.02 65.81 3i59 s SER 103 CO 0.04 -0.02 0.28 0.00 0.98 0.00 0.00 173.24 174.52 3i59 s MET 104 N -3.09 0.59 0.68 4.02 0.23 0.10 -4.91 119.30 116.93 3i59 s MET 104 Ca 0.21 -0.13 -0.01 0.00 -1.03 0.00 0.00 55.69 54.72 3i59 s MET 104 Cb -0.05 0.26 0.10 0.00 -1.53 0.00 0.00 34.83 33.61 3i59 s MET 104 CO 0.09 -0.15 0.95 0.16 -2.03 0.00 0.00 175.02 174.04 3i59 s ASP 105 N -1.11 4.59 0.28 -1.18 -4.77 -1.26 -0.76 116.67 112.46 3i59 s ASP 105 Ca -0.12 -0.18 0.01 0.00 -3.30 0.00 0.00 52.55 48.96 3i59 s ASP 105 Cb -0.05 -0.34 0.54 0.00 -1.09 0.00 0.00 42.92 41.98 3i59 s ASP 105 CO 0.03 -1.68 1.84 -0.09 0.70 0.00 0.00 175.17 175.97 3i59 h ARG 106 N -0.42 0.97 0.72 2.11 2.43 -1.94 0.10 114.38 118.35 3i59 h ARG 106 Ca -0.39 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 58.69 3i59 h ARG 106 Cb 1.28 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 30.62 3i59 h ARG 106 CO 0.45 0.64 -0.34 0.22 -1.51 0.00 0.00 179.97 179.43 3i59 h ASP 107 N 1.00 -0.81 -0.78 -3.80 1.82 -1.94 -0.50 116.42 111.41 3i59 h ASP 107 Ca 0.49 0.03 -0.04 0.00 -0.39 0.00 0.00 57.03 57.12 3i59 h ASP 107 Cb 0.47 0.21 -0.04 0.00 0.68 0.00 0.00 39.33 40.65 3i59 h ASP 107 CO -0.26 -0.58 0.35 0.00 -1.61 0.00 0.00 179.24 177.14 3i59 h ALA 108 N -0.67 1.01 -0.09 -0.78 0.00 -1.86 -0.26 119.26 116.61 3i59 h ALA 108 Ca -0.10 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.67 3i59 h ALA 108 Cb 0.74 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3i59 h ALA 108 CO 0.16 0.60 -0.13 1.25 0.00 0.00 0.00 179.25 181.13 3i59 h LEU 109 N 1.11 -0.40 -0.77 0.00 5.85 -0.70 0.40 115.31 120.80 3i59 h LEU 109 Ca 0.26 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 59.04 3i59 h LEU 109 Cb 0.16 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 3i59 h LEU 109 CO -0.03 -0.18 0.39 0.03 -0.34 0.00 0.00 178.44 178.32 3i59 h ARG 110 N -0.18 1.08 0.54 1.25 3.08 -0.83 0.19 114.38 119.51 3i59 h ARG 110 Ca 0.08 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3i59 h ARG 110 Cb 0.29 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3i59 h ARG 110 CO -0.19 0.82 -0.42 0.77 -1.07 0.00 0.00 179.97 179.88 3i59 h SER 111 N 1.07 -1.10 -0.46 7.04 0.02 -0.37 0.18 113.55 119.92 3i59 h SER 111 Ca 0.27 0.08 0.13 0.00 -0.84 0.00 0.00 61.79 61.43 3i59 h SER 111 Cb 0.08 0.35 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 3i59 h SER 111 CO -0.04 -0.61 0.34 -0.25 -1.14 0.00 0.00 176.83 175.13 3i59 h TRP 112 N -0.94 0.00 0.20 3.45 2.91 0.06 -2.78 115.95 118.86 3i59 h TRP 112 Ca -0.06 0.00 -0.34 0.00 1.13 0.00 0.00 58.89 59.61 3i59 h TRP 112 Cb 0.79 0.00 0.02 0.00 -0.51 0.00 0.00 29.16 29.46 3i59 h TRP 112 CO -0.17 0.00 -1.65 0.97 -1.03 0.00 0.00 178.44 176.56 3i59 h ILE 113 N 0.00 1.06 -0.91 2.65 2.10 0.07 -3.31 117.51 119.18 3i59 h ILE 113 Ca 0.22 -2.60 0.15 0.00 1.08 0.00 0.00 64.86 63.71 3i59 h ILE 113 Cb 0.89 2.85 -0.10 0.00 -1.09 0.00 0.00 36.82 39.37 3i59 h ILE 113 CO -0.00 0.84 0.51 0.00 -1.08 0.00 0.00 178.15 178.42 3i59 h ALA 114 N 0.16 1.41 -0.96 0.18 0.00 -0.38 0.15 119.26 119.82 3i59 h ALA 114 Ca -0.31 0.08 0.18 0.00 0.00 0.00 0.00 54.91 54.85 3i59 h ALA 114 Cb 2.12 -0.06 -0.17 0.00 0.00 0.00 0.00 17.79 19.68 3i59 h ALA 114 CO 0.21 -0.04 -0.30 0.22 0.00 0.00 0.00 179.25 179.34 3i59 h ASP 115 N 0.71 -1.10 -3.13 0.00 -0.00 -1.63 -3.43 116.42 107.84 3i59 h ASP 115 Ca 0.50 0.29 -0.16 0.00 -0.00 0.00 0.00 57.03 57.66 3i59 h ASP 115 Cb 0.69 0.65 -0.29 0.00 -0.00 0.00 0.00 39.33 40.39 3i59 h ASP 115 CO -0.35 -0.31 -0.42 -0.13 -0.00 0.00 0.00 179.24 178.02 3i59 s ARG 116 N -6.14 0.26 0.23 0.28 0.52 0.52 -5.02 118.95 109.60 3i59 s ARG 116 Ca -0.15 0.70 0.13 0.00 -0.52 0.00 0.00 55.73 55.90 3i59 s ARG 116 Cb 0.24 -0.03 -0.02 0.00 0.52 0.00 0.00 34.95 35.66 3i59 s ARG 116 CO 0.75 -0.19 1.38 -1.00 0.02 0.00 0.00 175.30 176.26 3i59 h PRO 117 N 7.49 0.00 -0.19 3.54 0.14 -1.84 -3.16 132.00 137.98 3i59 h PRO 117 Ca -0.32 0.00 -0.05 0.00 0.14 0.00 0.00 66.00 65.78 3i59 h PRO 117 Cb 1.15 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 32.28 3i59 h PRO 117 CO 0.28 0.64 -0.08 1.05 0.14 0.00 0.00 178.00 180.03 3i59 h GLU 118 N 0.00 0.30 -0.56 0.86 9.09 -1.95 0.53 114.58 122.85 3i59 h GLU 118 Ca -0.01 -0.06 -0.09 0.00 0.05 0.00 0.00 59.36 59.25 3i59 h GLU 118 Cb 1.50 -0.04 -0.02 0.00 -1.65 0.00 0.00 28.75 28.54 3i59 h GLU 118 CO 0.08 0.39 -0.01 0.82 0.05 0.00 0.00 179.01 180.35 3i59 h ILE 119 N 0.28 1.26 -1.00 -1.06 2.04 -1.90 -1.40 117.51 115.74 3i59 h ILE 119 Ca 0.06 -1.12 0.13 0.00 1.00 0.00 0.00 64.86 64.94 3i59 h ILE 119 Cb 0.33 0.83 -0.09 0.00 -0.74 0.00 0.00 36.82 37.16 3i59 h ILE 119 CO 0.02 0.40 0.63 0.28 0.00 0.00 0.00 178.15 179.48 3i59 h SER 120 N 0.89 0.90 -0.10 1.72 0.02 -1.00 -1.63 113.55 114.35 3i59 h SER 120 Ca 0.16 0.06 -0.18 0.00 -0.84 0.00 0.00 61.79 60.98 3i59 h SER 120 Cb 0.53 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 3i59 h SER 120 CO 0.03 0.45 -0.61 -0.33 -1.14 0.00 0.00 176.83 175.23 3i59 h GLU 121 N 0.95 0.71 -0.84 3.45 5.08 -0.48 -1.82 114.58 121.64 3i59 h GLU 121 Ca 0.51 -0.48 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3i59 h GLU 121 Cb 0.56 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 3i59 h GLU 121 CO -0.28 1.10 0.47 1.96 -1.00 0.00 0.00 179.01 181.26 3i59 h GLN 122 N 0.53 1.17 -0.51 2.33 1.08 -0.74 -0.46 115.11 118.50 3i59 h GLN 122 Ca -0.00 -0.13 -0.08 0.00 -1.45 0.00 0.00 58.65 56.99 3i59 h GLN 122 Cb 1.20 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 28.37 3i59 h GLN 122 CO 0.12 0.85 -0.00 -0.07 -0.95 0.00 0.00 178.83 178.78 3i59 h LEU 123 N 1.17 0.83 -0.79 1.46 3.38 -1.16 -1.74 115.31 118.46 3i59 h LEU 123 Ca 0.30 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 3i59 h LEU 123 Cb 0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3i59 h LEU 123 CO -0.05 0.89 -0.16 -0.07 0.09 0.00 0.00 178.44 179.15 3i59 h LEU 124 N 0.80 0.74 -0.73 1.67 3.38 -0.61 -2.47 115.31 118.10 3i59 h LEU 124 Ca 0.15 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 3i59 h LEU 124 Cb 0.48 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3i59 h LEU 124 CO 0.02 0.91 0.01 -0.09 0.09 0.00 0.00 178.44 179.38 3i59 h ARG 125 N 0.67 0.99 -0.05 1.13 2.43 -0.71 -0.41 114.38 118.43 3i59 h ARG 125 Ca 0.11 -0.29 0.02 0.00 -0.81 0.00 0.00 59.98 59.00 3i59 h ARG 125 Cb 0.64 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 3i59 h ARG 125 CO 0.04 0.96 -0.04 0.28 -1.51 0.00 0.00 179.97 179.71 3i59 h VAL 126 N 0.91 0.88 -0.58 0.20 2.07 -0.93 -1.02 116.25 117.79 3i59 h VAL 126 Ca 0.17 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.65 3i59 h VAL 126 Cb 0.51 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3i59 h VAL 126 CO 0.03 0.00 0.19 -0.07 0.02 0.00 0.00 177.57 177.73 3i59 h LEU 127 N -0.04 0.79 -0.44 2.57 3.38 -1.05 -0.73 115.31 119.79 3i59 h LEU 127 Ca 0.04 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3i59 h LEU 127 Cb 0.10 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3i59 h LEU 127 CO -0.08 0.74 0.11 0.00 0.09 0.00 0.00 178.44 179.30 3i59 h ALA 128 N 1.37 0.58 -0.85 1.53 0.00 -0.96 0.56 119.26 121.49 3i59 h ALA 128 Ca 0.19 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i59 h ALA 128 Cb 0.23 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3i59 h ALA 128 CO -0.01 0.26 0.53 -0.09 0.00 0.00 0.00 179.25 179.94 3i59 h ARG 129 N 0.58 1.14 -0.47 0.00 2.43 -0.89 0.36 114.38 117.53 3i59 h ARG 129 Ca 0.14 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 3i59 h ARG 129 Cb 0.31 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3i59 h ARG 129 CO 0.00 0.79 0.07 0.00 -1.51 0.00 0.00 179.97 179.31 3i59 h ARG 130 N 1.16 0.73 -0.13 0.20 3.08 -0.71 -1.58 114.38 117.13 3i59 h ARG 130 Ca 0.31 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 60.10 3i59 h ARG 130 Cb -0.07 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.87 3i59 h ARG 130 CO -0.06 0.70 -0.28 1.25 -1.07 0.00 0.00 179.97 180.51 3i59 h LEU 131 N 0.70 0.48 -0.55 3.04 5.85 0.01 0.75 115.31 125.60 3i59 h LEU 131 Ca 0.15 -0.56 0.09 0.00 0.84 0.00 0.00 57.88 58.40 3i59 h LEU 131 Cb 0.34 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.15 3i59 h LEU 131 CO 0.01 0.96 0.15 -0.09 -0.34 0.00 0.00 178.44 179.12 3i59 h ARG 132 N 0.03 0.29 -0.07 1.25 2.43 -0.25 -2.78 114.38 115.28 3i59 h ARG 132 Ca 0.00 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 58.99 3i59 h ARG 132 Cb 0.88 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 3i59 h ARG 132 CO 0.06 0.19 -0.67 -0.09 -1.51 0.00 0.00 179.97 177.96 3i59 h ARG 133 N 0.30 0.29 -0.99 0.20 2.43 -1.15 -2.95 114.38 112.50 3i59 h ARG 133 Ca 0.28 -0.22 0.16 0.00 -0.81 0.00 0.00 59.98 59.39 3i59 h ARG 133 Cb 0.36 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 29.86 3i59 h ARG 133 CO -0.33 0.85 0.62 1.15 -1.51 0.00 0.00 179.97 180.75 3i59 h THR 134 N 0.20 0.80 -0.11 0.20 2.02 -0.57 -1.67 112.91 113.78 3i59 h THR 134 Ca -0.02 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 3i59 h THR 134 Cb 1.21 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 3i59 h THR 134 CO 0.11 0.15 0.04 0.78 0.37 0.00 0.00 175.52 176.96 3i59 h ASN 135 N 0.83 0.16 -0.18 4.18 -0.26 -1.41 -2.19 115.58 116.70 3i59 h ASN 135 Ca 0.53 -0.20 -0.01 0.00 -0.56 0.00 0.00 56.30 56.06 3i59 h ASN 135 Cb 0.74 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.95 3i59 h ASN 135 CO -0.31 0.31 0.06 0.78 -1.06 0.00 0.00 177.43 177.22 3i59 h ASN 136 N -0.00 0.26 -0.61 5.81 4.21 -1.52 0.24 115.58 123.96 3i59 h ASN 136 Ca 0.04 -0.19 -0.01 0.00 1.21 0.00 0.00 56.30 57.34 3i59 h ASN 136 Cb 0.21 -0.07 -0.03 0.00 -1.12 0.00 0.00 38.32 37.31 3i59 h ASN 136 CO -0.00 0.38 0.33 0.78 -1.29 0.00 0.00 177.43 177.63 3i59 h ASN 137 N 0.13 0.78 0.16 5.81 2.35 -1.36 -0.67 115.58 122.78 3i59 h ASN 137 Ca 0.06 -0.06 -0.17 0.00 -0.55 0.00 0.00 56.30 55.57 3i59 h ASN 137 Cb 0.21 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3i59 h ASN 137 CO -0.00 0.64 -0.65 0.25 -1.65 0.00 0.00 177.43 176.01 3i59 h LEU 138 N 0.88 0.53 -0.79 1.61 6.46 -1.15 -2.46 115.31 120.40 3i59 h LEU 138 Ca 0.22 -0.32 -0.11 0.00 -0.12 0.00 0.00 57.88 57.55 3i59 h LEU 138 Cb 0.04 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 3i59 h LEU 138 CO -0.03 1.04 -0.29 0.00 -0.62 0.00 0.00 178.44 178.54 3i59 h ALA 139 N 0.95 0.96 -0.43 1.25 0.00 -0.49 -2.82 119.26 118.69 3i59 h ALA 139 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3i59 h ALA 139 Cb 1.21 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3i59 h ALA 139 CO 0.12 0.61 0.28 -0.44 0.00 0.00 0.00 179.25 179.81 3i59 h ASP 140 N 0.51 0.51 0.22 0.00 3.32 -1.01 0.58 116.42 120.54 3i59 h ASP 140 Ca 0.06 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3i59 h ASP 140 Cb 0.76 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.18 3i59 h ASP 140 CO 0.06 0.39 0.00 -0.07 -1.72 0.00 0.00 179.24 177.90 3i59 h LEU 141 N 0.58 0.00 0.01 1.55 3.38 -1.20 -0.07 115.31 119.56 3i59 h LEU 141 Ca 0.16 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.77 3i59 h LEU 141 Cb -0.04 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 3i59 h LEU 141 CO -0.03 0.00 -2.21 -0.38 0.09 0.00 0.00 178.44 175.91 3i59 n ILE 142 N -2.85 1.50 0.00 1.22 5.41 -0.87 -4.82 119.36 118.95 3i59 n ILE 142 Ca -0.02 -0.76 0.00 0.00 1.00 0.00 0.00 62.75 62.97 3i59 n ILE 142 Cb 0.11 -0.93 0.00 0.00 -0.71 0.00 0.00 39.64 38.11 3i59 n ILE 142 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3i59 n PHE 143 N -3.00 0.00 -3.68 1.39 3.01 0.14 -5.05 117.46 110.27 3i59 n PHE 143 Ca -0.32 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 57.77 3i59 n PHE 143 Cb 1.09 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.50 3i59 n PHE 143 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3i59 s THR 144 N -1.59 5.30 1.11 4.37 2.01 -0.09 -5.02 115.64 121.72 3i59 s THR 144 Ca 0.00 0.49 -0.13 0.00 0.31 0.00 0.00 61.69 62.36 3i59 s THR 144 Cb 0.00 -3.55 0.25 0.00 0.01 0.00 0.00 72.50 69.21 3i59 s THR 144 CO 0.00 0.56 1.06 1.51 -0.69 0.00 0.00 174.62 177.06 3i59 s ASP 145 N -0.75 1.60 -0.02 3.53 -4.77 -1.26 -4.83 116.67 110.16 3i59 s ASP 145 Ca 0.18 1.30 -0.20 0.00 -3.30 0.00 0.00 52.55 50.54 3i59 s ASP 145 Cb -0.14 -2.04 -0.11 0.00 -1.09 0.00 0.00 42.92 39.55 3i59 s ASP 145 CO 0.07 -3.79 0.81 0.58 0.70 0.00 0.00 175.17 173.54 3i59 h VAL 146 N -2.34 0.00 -0.90 2.11 2.07 -1.98 -2.03 116.25 113.18 3i59 h VAL 146 Ca -0.59 -0.48 0.23 0.00 0.82 0.00 0.00 66.70 66.68 3i59 h VAL 146 Cb 1.34 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.98 3i59 h VAL 146 CO 0.54 0.00 0.37 -0.65 0.02 0.00 0.00 177.57 177.85 3i59 h PRO 147 N -1.19 0.34 -0.96 1.57 0.11 -1.95 0.20 132.00 130.13 3i59 h PRO 147 Ca -0.07 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.03 3i59 h PRO 147 Cb 0.54 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.52 3i59 h PRO 147 CO 0.12 0.23 0.63 0.78 -0.21 0.00 0.00 178.00 179.55 3i59 h GLY 148 N 0.35 1.36 2.00 -0.55 0.00 -1.77 -1.97 103.07 102.49 3i59 h GLY 148 Ca 0.57 -0.50 -0.08 0.00 0.00 0.00 0.00 47.33 47.32 3i59 h GLY 148 CO -0.56 0.48 -0.39 3.21 0.00 0.00 0.00 176.54 179.28 3i59 h ARG 149 N 1.28 0.00 0.02 4.80 3.08 0.10 -2.17 114.38 121.50 3i59 h ARG 149 Ca 0.36 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.41 3i59 h ARG 149 Cb -0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.93 3i59 h ARG 149 CO -0.08 0.39 -0.01 0.28 -1.07 0.00 0.00 179.97 179.47 3i59 h VAL 150 N 0.00 1.23 -0.93 2.04 2.07 -0.59 0.57 116.25 120.63 3i59 h VAL 150 Ca -0.00 -0.79 0.10 0.00 0.82 0.00 0.00 66.70 66.83 3i59 h VAL 150 Cb 0.79 1.75 -0.08 0.00 -1.52 0.00 0.00 31.29 32.24 3i59 h VAL 150 CO 0.05 0.20 0.57 0.00 0.02 0.00 0.00 177.57 178.41 3i59 h ALA 151 N 0.59 1.37 -0.18 1.67 0.00 -1.32 0.17 119.26 121.54 3i59 h ALA 151 Ca -0.00 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3i59 h ALA 151 Cb 0.35 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3i59 h ALA 151 CO 0.01 0.20 -0.03 -0.22 0.00 0.00 0.00 179.25 179.21 3i59 h LYS 152 N 0.93 0.34 -0.60 0.00 1.63 -1.22 -1.93 116.57 115.71 3i59 h LYS 152 Ca 0.45 -0.12 -0.07 0.00 -0.85 0.00 0.00 60.65 60.06 3i59 h LYS 152 Cb 0.41 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.99 3i59 h LYS 152 CO -0.25 0.59 0.12 0.37 -3.45 0.00 0.00 179.45 176.82 3i59 h GLN 153 N 0.07 0.99 -0.67 1.90 5.75 -0.35 0.50 115.11 123.30 3i59 h GLN 153 Ca 0.05 -0.25 0.08 0.00 -0.15 0.00 0.00 58.65 58.37 3i59 h GLN 153 Cb 0.45 -0.12 -0.06 0.00 1.07 0.00 0.00 27.48 28.82 3i59 h GLN 153 CO 0.01 0.92 0.34 -0.07 -2.65 0.00 0.00 178.83 177.39 3i59 h LEU 154 N 0.89 0.47 -0.44 -2.39 3.38 -0.82 0.16 115.31 116.56 3i59 h LEU 154 Ca 0.19 0.05 -0.18 0.00 0.09 0.00 0.00 57.88 58.03 3i59 h LEU 154 Cb 0.40 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3i59 h LEU 154 CO 0.01 0.29 -0.68 -0.07 0.09 0.00 0.00 178.44 178.08 3i59 h LEU 155 N 0.61 0.52 -0.63 1.67 3.38 -0.94 0.37 115.31 120.29 3i59 h LEU 155 Ca 0.32 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3i59 h LEU 155 Cb 0.28 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3i59 h LEU 155 CO -0.23 1.05 0.38 1.56 0.09 0.00 0.00 178.44 181.29 3i59 h GLN 156 N 0.32 0.72 -0.22 1.13 4.20 -0.43 0.54 115.11 121.36 3i59 h GLN 156 Ca -0.02 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.51 3i59 h GLN 156 Cb 1.24 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.85 3i59 h GLN 156 CO 0.12 0.48 -0.42 -0.07 -0.67 0.00 0.00 178.83 178.27 3i59 h LEU 157 N 0.74 0.57 -0.66 1.46 3.38 -0.69 -2.97 115.31 117.14 3i59 h LEU 157 Ca 0.26 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3i59 h LEU 157 Cb 0.06 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3i59 h LEU 157 CO -0.12 0.92 0.43 0.00 0.09 0.00 0.00 178.44 179.76 3i59 h ALA 158 N 1.10 0.85 0.00 1.53 0.00 0.53 -0.67 119.26 122.60 3i59 h ALA 158 Ca 0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i59 h ALA 158 Cb 0.92 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3i59 h ALA 158 CO 0.08 0.23 -0.01 -0.56 0.00 0.00 0.00 179.25 178.99 3i59 h GLN 159 N 0.86 0.00 0.07 0.00 -0.00 -0.83 0.31 115.11 115.53 3i59 h GLN 159 Ca 0.25 0.00 -0.34 0.00 -0.00 0.00 0.00 58.65 58.56 3i59 h GLN 159 Cb -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.39 3i59 h GLN 159 CO -0.07 0.01 -1.96 -2.13 -0.00 0.00 0.00 178.83 174.68 3i59 n ARG 160 N -3.11 0.71 0.00 0.06 3.00 -0.93 -4.64 116.66 111.75 3i59 n ARG 160 Ca 0.02 0.25 0.00 0.00 -0.00 0.00 0.00 57.85 58.12 3i59 n ARG 160 Cb 0.38 -1.71 0.00 0.00 0.00 0.00 0.00 32.46 31.12 3i59 n ARG 160 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3i59 n PHE 161 N -3.30 0.00 -2.07 -0.14 3.72 -0.31 -5.03 117.46 110.33 3i59 n PHE 161 Ca -0.28 -0.02 -0.37 0.00 -0.05 0.00 0.00 57.45 56.73 3i59 n PHE 161 Cb 1.05 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.60 3i59 n PHE 161 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3i59 s GLY 162 N -0.04 2.80 0.10 1.37 0.00 0.11 -4.49 107.32 107.17 3i59 s GLY 162 Ca 0.00 1.06 0.02 0.00 0.00 0.00 0.00 44.72 45.80 3i59 s GLY 162 CO 0.00 1.52 -0.06 -1.08 0.00 0.00 0.00 173.10 173.48 3i59 s THR 163 N -1.49 0.70 -0.04 0.90 -1.32 -0.68 -4.96 115.64 108.75 3i59 s THR 163 Ca 0.69 -1.94 -0.30 0.00 -1.21 0.00 0.00 61.69 58.93 3i59 s THR 163 Cb -0.32 -1.70 -0.04 0.00 -1.51 0.00 0.00 72.50 68.93 3i59 s THR 163 CO 0.38 -0.86 1.28 -1.10 -2.21 0.00 0.00 174.62 172.11 3i59 s GLN 164 N -3.84 4.32 -0.47 7.08 -1.52 -1.26 -1.24 119.66 122.73 3i59 s GLN 164 Ca 0.12 1.79 0.03 0.00 -1.95 0.00 0.00 55.36 55.35 3i59 s GLN 164 Cb 0.05 -3.57 0.14 0.00 -0.22 0.00 0.00 33.01 29.41 3i59 s GLN 164 CO -0.04 -0.51 0.28 -2.00 -0.25 0.00 0.00 175.29 172.77 3i59 s GLU 165 N 2.34 1.46 -1.22 2.91 2.12 0.11 -4.86 118.70 121.55 3i59 s GLU 165 Ca 0.59 -2.23 -0.08 0.00 0.36 0.00 0.00 54.97 53.61 3i59 s GLU 165 Cb -0.27 -2.49 -0.01 0.00 0.26 0.00 0.00 34.13 31.62 3i59 s GLU 165 CO 0.23 -1.19 0.73 0.41 -0.54 0.00 0.00 175.26 174.91 3i59 n GLY 166 N 3.27 -0.65 2.15 -1.50 0.00 -1.26 -3.06 105.19 104.14 3i59 n GLY 166 Ca 0.11 0.31 -0.08 0.00 0.00 0.00 0.00 46.02 46.36 3i59 n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i59 n GLY 167 N -1.61 0.14 3.68 -0.02 0.00 -1.26 -5.02 105.19 101.09 3i59 n GLY 167 Ca -0.20 -0.23 0.02 0.00 0.00 0.00 0.00 46.02 45.60 3i59 n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i59 s ALA 168 N -3.15 -2.25 -0.09 4.61 0.00 -1.17 -5.01 121.76 114.69 3i59 s ALA 168 Ca 0.06 0.57 0.03 0.00 0.00 0.00 0.00 51.96 52.62 3i59 s ALA 168 Cb -0.03 0.45 -0.01 0.00 0.00 0.00 0.00 23.12 23.54 3i59 s ALA 168 CO 0.32 -1.07 -0.21 -0.48 0.00 0.00 0.00 175.76 174.32 3i59 s LEU 169 N -3.11 2.28 -0.26 0.00 2.34 -0.96 0.04 118.68 119.01 3i59 s LEU 169 Ca 0.16 -0.46 -0.19 0.00 0.06 0.00 0.00 54.13 53.70 3i59 s LEU 169 Cb 0.04 -1.46 -0.02 0.00 -0.56 0.00 0.00 46.19 44.19 3i59 s LEU 169 CO -0.03 0.20 0.57 -0.60 -1.06 0.00 0.00 176.35 175.42 3i59 s ARG 170 N 0.14 4.07 -0.67 1.48 6.06 -0.37 -0.14 118.95 129.52 3i59 s ARG 170 Ca -0.11 0.41 -0.02 0.00 -2.50 0.00 0.00 55.73 53.51 3i59 s ARG 170 Cb -0.16 -3.66 0.17 0.00 0.06 0.00 0.00 34.95 31.36 3i59 s ARG 170 CO 0.06 -0.39 0.49 0.08 -2.50 0.00 0.00 175.30 173.04 3i59 s VAL 171 N 2.41 3.72 -0.69 7.11 1.01 0.10 -1.69 120.40 132.38 3i59 s VAL 171 Ca 0.23 -3.20 -0.26 0.00 0.00 0.00 0.00 61.98 58.75 3i59 s VAL 171 Cb -0.16 -3.41 0.04 0.00 0.00 0.00 0.00 36.38 32.85 3i59 s VAL 171 CO 0.09 -0.92 1.20 -0.89 0.00 0.00 0.00 175.10 174.58 3i59 s THR 172 N -0.37 3.90 -0.40 3.92 2.01 -1.26 -1.53 115.64 121.91 3i59 s THR 172 Ca 0.19 0.39 0.22 0.00 0.31 0.00 0.00 61.69 62.80 3i59 s THR 172 Cb -0.18 -4.83 -0.29 0.00 0.01 0.00 0.00 72.50 67.22 3i59 s THR 172 CO -0.05 -1.66 0.65 0.00 -0.69 0.00 0.00 174.62 172.88 3i59 n HIS 173 N 8.84 0.02 -1.43 4.92 1.44 0.78 -4.93 115.22 124.86 3i59 n HIS 173 Ca 0.03 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.60 3i59 n HIS 173 Cb 0.48 -0.32 -0.06 0.00 0.12 0.00 0.00 29.99 30.21 3i59 n HIS 173 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3i59 n ASP 174 N -1.98 -4.94 -4.78 4.39 8.00 -0.35 -4.99 116.55 111.91 3i59 n ASP 174 Ca -0.01 0.36 -0.32 0.00 0.71 0.00 0.00 54.79 55.53 3i59 n ASP 174 Cb 0.48 -3.74 -0.07 0.00 -0.02 0.00 0.00 41.12 37.77 3i59 n ASP 174 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3i59 s LEU 175 N -3.35 3.86 1.23 0.64 1.43 -1.26 -4.90 118.68 116.34 3i59 s LEU 175 Ca 0.00 0.10 -0.20 0.00 -1.03 0.00 0.00 54.13 53.01 3i59 s LEU 175 Cb 0.00 -2.32 0.30 0.00 0.03 0.00 0.00 46.19 44.20 3i59 s LEU 175 CO 0.00 0.25 1.09 0.42 0.23 0.00 0.00 176.35 178.33 3i59 s THR 176 N -1.24 1.55 0.13 5.49 -4.23 -1.26 -4.81 115.64 111.27 3i59 s THR 176 Ca 0.24 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.62 3i59 s THR 176 Cb -0.12 -2.43 -0.02 0.00 1.34 0.00 0.00 72.50 71.27 3i59 s THR 176 CO 0.16 0.00 1.54 1.56 -0.54 0.00 0.00 174.62 177.34 3i59 h GLN 177 N -2.70 0.81 -0.66 3.99 4.20 -1.99 -2.43 115.11 116.32 3i59 h GLN 177 Ca -0.45 -0.31 0.02 0.00 0.06 0.00 0.00 58.65 57.98 3i59 h GLN 177 Cb 1.30 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.99 3i59 h GLN 177 CO 0.33 0.93 0.42 1.49 -0.67 0.00 0.00 178.83 181.33 3i59 h GLU 178 N 0.64 0.82 -0.44 1.46 4.81 -1.96 -0.78 114.58 119.13 3i59 h GLU 178 Ca 0.11 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.18 3i59 h GLU 178 Cb 0.62 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 3i59 h GLU 178 CO 0.04 0.54 -0.15 0.93 -0.73 0.00 0.00 179.01 179.65 3i59 h GLU 179 N 0.85 0.82 -0.45 1.92 5.08 -1.90 -0.21 114.58 120.70 3i59 h GLU 179 Ca 0.26 -0.30 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3i59 h GLU 179 Cb -0.03 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 3i59 h GLU 179 CO -0.08 0.92 0.27 0.82 -1.00 0.00 0.00 179.01 179.94 3i59 h ILE 180 N 0.73 1.06 -0.51 3.13 2.04 -1.03 -0.97 117.51 121.96 3i59 h ILE 180 Ca 0.11 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 3i59 h ILE 180 Cb 0.66 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3i59 h ILE 180 CO 0.05 0.10 0.15 0.00 0.00 0.00 0.00 178.15 178.45 3i59 h ALA 181 N 1.19 1.31 0.00 1.87 0.00 -0.76 -0.30 119.26 122.57 3i59 h ALA 181 Ca 0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3i59 h ALA 181 Cb -0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3i59 h ALA 181 CO -0.07 0.50 -0.12 1.96 0.00 0.00 0.00 179.25 181.52 3i59 h GLN 182 N 0.74 0.00 0.19 0.00 4.20 -0.64 -0.58 115.11 119.01 3i59 h GLN 182 Ca 0.17 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.64 3i59 h GLN 182 Cb 0.23 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.04 3i59 h GLN 182 CO -0.01 0.12 -1.07 1.25 -0.67 0.00 0.00 178.83 178.45 3i59 h LEU 183 N 0.00 0.62 -1.01 1.46 5.85 0.15 -1.85 115.31 120.54 3i59 h LEU 183 Ca -0.00 -0.94 -0.10 0.00 0.84 0.00 0.00 57.88 57.68 3i59 h LEU 183 Cb 0.65 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3i59 h LEU 183 CO 0.02 1.52 -0.48 0.58 -0.34 0.00 0.00 178.44 179.73 3i59 h VAL 184 N -0.17 1.29 0.00 1.05 2.07 -0.89 -3.46 116.25 116.13 3i59 h VAL 184 Ca -0.19 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.65 3i59 h VAL 184 Cb 1.85 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 33.54 3i59 h VAL 184 CO 0.20 0.47 0.00 0.61 0.02 0.00 0.00 177.57 178.87 3i59 n GLY 185 N -0.06 0.69 3.52 2.17 0.00 -0.25 -4.98 105.19 106.29 3i59 n GLY 185 Ca -0.01 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 3i59 n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i59 s ALA 186 N -2.00 2.99 0.48 4.61 0.00 -1.06 -5.06 121.76 121.73 3i59 s ALA 186 Ca 0.00 -1.16 -0.21 0.00 0.00 0.00 0.00 51.96 50.59 3i59 s ALA 186 Cb 0.00 0.79 -0.09 0.00 0.00 0.00 0.00 23.12 23.82 3i59 s ALA 186 CO 0.00 -0.35 1.04 -1.54 0.00 0.00 0.00 175.76 174.90 3i59 s SER 187 N -3.62 6.40 0.29 0.00 1.04 -1.26 -4.48 113.70 112.06 3i59 s SER 187 Ca 0.22 1.94 0.02 0.00 0.48 0.00 0.00 55.95 58.61 3i59 s SER 187 Cb 0.01 -2.56 0.57 0.00 0.10 0.00 0.00 66.02 64.15 3i59 s SER 187 CO 0.15 -0.74 1.86 0.08 0.98 0.00 0.00 173.24 175.57 3i59 h ARG 188 N 1.67 0.95 0.03 4.02 -0.00 -1.92 0.95 114.38 120.07 3i59 h ARG 188 Ca -0.49 -0.06 -0.00 0.00 -0.00 0.00 0.00 59.98 59.43 3i59 h ARG 188 Cb 1.22 -0.21 0.00 0.00 -0.00 0.00 0.00 29.97 30.98 3i59 h ARG 188 CO 0.59 0.63 -0.01 1.05 -0.00 0.00 0.00 179.97 182.23 3i59 h GLU 189 N 0.98 -0.04 -0.16 0.08 9.09 -1.99 0.04 114.58 122.59 3i59 h GLU 189 Ca 0.47 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.88 3i59 h GLU 189 Cb 0.45 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.55 3i59 h GLU 189 CO -0.23 0.18 0.08 1.79 0.05 0.00 0.00 179.01 180.89 3i59 h THR 190 N -0.25 1.10 -0.87 -1.06 1.35 -1.77 -2.61 112.91 108.80 3i59 h THR 190 Ca -0.00 -0.27 0.03 0.00 -0.55 0.00 0.00 66.41 65.61 3i59 h THR 190 Cb 0.23 1.00 -0.05 0.00 -1.73 0.00 0.00 68.15 67.60 3i59 h THR 190 CO 0.01 0.09 0.56 0.58 -0.25 0.00 0.00 175.52 176.51 3i59 h VAL 191 N 0.15 1.16 -0.32 6.82 2.07 -0.78 -2.52 116.25 122.83 3i59 h VAL 191 Ca 0.05 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.21 3i59 h VAL 191 Cb 0.07 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.78 3i59 h VAL 191 CO -0.01 0.20 0.20 0.78 0.02 0.00 0.00 177.57 178.76 3i59 h ASN 192 N 1.10 0.33 -0.54 0.57 2.35 -0.84 -0.98 115.58 117.57 3i59 h ASN 192 Ca 0.34 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.08 3i59 h ASN 192 Cb -0.02 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 3i59 h ASN 192 CO -0.11 0.24 0.31 0.11 -1.65 0.00 0.00 177.43 176.33 3i59 h LYS 193 N 0.40 0.75 -0.40 0.81 6.56 -1.21 0.90 116.57 124.38 3i59 h LYS 193 Ca 0.12 -0.08 0.04 0.00 -1.06 0.00 0.00 60.65 59.67 3i59 h LYS 193 Cb -0.02 -0.15 -0.04 0.00 -0.57 0.00 0.00 32.23 31.45 3i59 h LYS 193 CO -0.04 0.56 0.18 0.00 -2.06 0.00 0.00 179.45 178.09 3i59 h ALA 194 N 1.15 0.49 -0.32 3.86 0.00 -1.33 0.33 119.26 123.44 3i59 h ALA 194 Ca 0.19 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3i59 h ALA 194 Cb 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3i59 h ALA 194 CO -0.03 -0.19 0.20 -0.07 0.00 0.00 0.00 179.25 179.16 3i59 h LEU 195 N 0.37 0.38 -0.32 0.00 3.38 -0.43 -1.10 115.31 117.59 3i59 h LEU 195 Ca 0.18 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.17 3i59 h LEU 195 Cb 0.11 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 3i59 h LEU 195 CO -0.14 0.30 -0.02 0.00 0.09 0.00 0.00 178.44 178.67 3i59 h ALA 196 N 1.09 0.27 -0.75 1.53 0.00 0.14 -1.92 119.26 119.61 3i59 h ALA 196 Ca 0.12 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3i59 h ALA 196 Cb -0.01 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3i59 h ALA 196 CO -0.02 -0.42 0.43 0.22 0.00 0.00 0.00 179.25 179.46 3i59 h ASP 197 N 0.07 0.93 0.04 0.00 3.58 -0.13 -0.77 116.42 120.14 3i59 h ASP 197 Ca 0.15 -0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 3i59 h ASP 197 Cb 0.21 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.03 3i59 h ASP 197 CO -0.27 0.74 -0.04 -0.26 -2.88 0.00 0.00 179.24 176.53 3i59 h PHE 198 N 1.04 0.00 -0.05 0.28 0.04 -0.89 -2.41 116.94 114.95 3i59 h PHE 198 Ca 0.27 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.99 3i59 h PHE 198 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 3i59 h PHE 198 CO -0.00 0.04 -0.16 0.00 -0.60 0.00 0.00 178.31 177.59 3i59 h ALA 199 N 1.96 0.09 0.00 2.45 0.00 -0.37 -1.73 119.26 121.65 3i59 h ALA 199 Ca -0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 3i59 h ALA 199 Cb 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3i59 h ALA 199 CO 0.00 0.02 -0.15 0.45 0.00 0.00 0.00 179.25 179.57 3i59 h HIS 200 N -0.34 0.00 0.00 0.00 3.86 -1.16 0.14 115.15 117.65 3i59 h HIS 200 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3i59 h HIS 200 Cb 0.78 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.25 3i59 h HIS 200 CO 0.13 0.15 0.00 0.54 0.86 0.00 0.00 177.93 179.61 3i59 n ARG 201 N -3.63 0.13 -1.33 2.45 1.74 -0.92 -4.91 116.66 110.18 3i59 n ARG 201 Ca -0.01 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.98 3i59 n ARG 201 Cb 0.28 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.19 3i59 n ARG 201 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i59 n GLY 202 N 1.42 1.01 0.11 -0.13 0.00 0.48 -4.89 105.19 103.20 3i59 n GLY 202 Ca 0.09 -0.61 -0.01 0.00 0.00 0.00 0.00 46.02 45.48 3i59 n GLY 202 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3i59 h TRP 203 N 0.00 0.00 -3.98 1.61 6.55 -1.52 -3.41 115.95 115.20 3i59 h TRP 203 Ca -0.19 0.00 -0.10 0.00 0.95 0.00 0.00 58.89 59.55 3i59 h TRP 203 Cb 0.64 0.00 -0.14 0.00 -0.86 0.00 0.00 29.16 28.79 3i59 h TRP 203 CO 0.26 0.71 -0.49 0.96 -1.05 0.00 0.00 178.44 178.83 3i59 s ILE 204 N -2.95 0.17 -0.06 1.49 -4.36 -1.16 -1.24 121.20 113.10 3i59 s ILE 204 Ca 0.02 -1.43 0.02 0.00 -0.26 0.00 0.00 60.65 59.00 3i59 s ILE 204 Cb 0.09 -1.44 0.01 0.00 1.25 0.00 0.00 42.46 42.38 3i59 s ILE 204 CO 0.77 -0.76 -0.11 -0.60 0.24 0.00 0.00 174.94 174.49 3i59 s ARG 205 N -3.89 1.50 -0.27 0.37 3.52 0.05 -4.24 118.95 115.99 3i59 s ARG 205 Ca 0.07 -0.36 -0.14 0.00 -0.13 0.00 0.00 55.73 55.17 3i59 s ARG 205 Cb 0.06 -1.27 -0.04 0.00 -1.56 0.00 0.00 34.95 32.14 3i59 s ARG 205 CO -0.10 0.02 0.32 -0.51 -0.81 0.00 0.00 175.30 174.22 3i59 s LEU 206 N 0.65 4.03 -0.36 -0.88 1.43 -1.26 -0.13 118.68 122.16 3i59 s LEU 206 Ca -0.13 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 3i59 s LEU 206 Cb -0.15 -2.34 0.13 0.00 0.03 0.00 0.00 46.19 43.87 3i59 s LEU 206 CO 0.03 -0.14 0.20 -1.61 0.23 0.00 0.00 176.35 175.06 3i59 s GLU 207 N 1.97 0.71 7.94 1.70 2.02 -0.42 -5.02 118.70 127.60 3i59 s GLU 207 Ca 0.13 -1.40 0.00 0.00 0.02 0.00 0.00 54.97 53.71 3i59 s GLU 207 Cb -0.16 -1.60 0.00 0.00 0.10 0.00 0.00 34.13 32.47 3i59 s GLU 207 CO 0.10 -1.16 0.00 0.41 0.02 0.00 0.00 175.26 174.63 3i59 n GLY 208 N 4.10 3.90 2.01 -1.39 0.00 -1.26 -2.03 105.19 110.52 3i59 n GLY 208 Ca 0.08 0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 3i59 n GLY 208 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i59 n LYS 209 N 13.81 2.35 -3.79 1.61 4.76 -1.26 -4.86 118.16 130.77 3i59 n LYS 209 Ca 0.00 -2.59 -0.13 0.00 -2.87 0.00 0.00 58.31 52.72 3i59 n LYS 209 Cb 0.00 -2.03 -0.12 0.00 -1.84 0.00 0.00 35.03 31.04 3i59 n LYS 209 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3i59 s SER 210 N -0.93 -0.21 -0.08 4.39 1.04 -0.86 -0.15 113.70 116.90 3i59 s SER 210 Ca 0.49 0.41 -0.02 0.00 0.48 0.00 0.00 55.95 57.30 3i59 s SER 210 Cb 0.40 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.88 3i59 s SER 210 CO 0.10 -0.08 0.03 -0.69 0.98 0.00 0.00 173.24 173.58 3i59 s VAL 211 N 0.27 4.53 -0.43 5.02 1.01 -0.59 -1.30 120.40 128.92 3i59 s VAL 211 Ca -0.01 -0.21 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 3i59 s VAL 211 Cb -0.03 -2.94 0.04 0.00 0.00 0.00 0.00 36.38 33.45 3i59 s VAL 211 CO -0.01 0.57 0.32 -0.22 0.00 0.00 0.00 175.10 175.76 3i59 s LEU 212 N -1.04 5.25 -0.66 3.92 1.98 0.82 -0.72 118.68 128.22 3i59 s LEU 212 Ca 0.15 -1.04 -0.21 0.00 -2.89 0.00 0.00 54.13 50.14 3i59 s LEU 212 Cb -0.11 -2.16 0.09 0.00 0.66 0.00 0.00 46.19 44.66 3i59 s LEU 212 CO 0.04 -0.51 0.89 -0.63 -1.89 0.00 0.00 176.35 174.26 3i59 s ILE 213 N 1.66 4.53 0.12 6.68 1.01 0.80 -0.77 121.20 135.23 3i59 s ILE 213 Ca 0.05 -0.69 -0.08 0.00 0.00 0.00 0.00 60.65 59.93 3i59 s ILE 213 Cb -0.21 -4.63 -0.18 0.00 0.01 0.00 0.00 42.46 37.45 3i59 s ILE 213 CO 0.09 -1.35 1.29 0.28 0.00 0.00 0.00 174.94 175.24 3i59 h SER 214 N 9.37 0.68 -2.86 3.58 0.02 -1.43 -2.55 113.55 120.36 3i59 h SER 214 Ca -0.25 -0.52 -0.60 0.00 -0.84 0.00 0.00 61.79 59.57 3i59 h SER 214 Cb 1.07 -0.21 -0.40 0.00 0.14 0.00 0.00 62.40 63.01 3i59 h SER 214 CO 1.15 1.32 -0.80 -0.62 -1.14 0.00 0.00 176.83 176.73 3i59 s ASP 215 N -7.13 2.97 0.37 3.07 -1.08 -1.01 -4.87 116.67 108.99 3i59 s ASP 215 Ca -0.07 -3.04 0.17 0.00 -0.52 0.00 0.00 52.55 49.08 3i59 s ASP 215 Cb 0.08 -0.87 0.70 0.00 -1.46 0.00 0.00 42.92 41.37 3i59 s ASP 215 CO 0.88 -0.19 1.76 0.77 0.52 0.00 0.00 175.17 178.91 3i59 h SER 216 N 6.02 0.00 -0.40 -0.34 4.64 -1.84 -2.25 113.55 119.38 3i59 h SER 216 Ca 0.14 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.52 3i59 h SER 216 Cb 0.88 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.92 3i59 h SER 216 CO 0.47 0.39 0.10 -0.33 -0.87 0.00 0.00 176.83 176.59 3i59 h GLU 217 N 0.00 0.23 0.03 4.77 3.07 -1.97 0.12 114.58 120.82 3i59 h GLU 217 Ca -0.00 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3i59 h GLU 217 Cb 0.84 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 3i59 h GLU 217 CO 0.05 0.15 -0.01 0.00 -1.40 0.00 0.00 179.01 177.80 3i59 h ARG 218 N 0.23 -0.03 -0.93 2.33 3.08 -1.89 -2.67 114.38 114.50 3i59 h ARG 218 Ca 0.19 0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.43 3i59 h ARG 218 Cb 0.22 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.20 3i59 h ARG 218 CO -0.24 0.47 0.60 1.25 -1.07 0.00 0.00 179.97 180.99 3i59 h LEU 219 N -0.56 0.57 -0.53 3.04 5.85 -1.32 0.24 115.31 122.61 3i59 h LEU 219 Ca -0.00 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 3i59 h LEU 219 Cb 0.52 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3i59 h LEU 219 CO 0.01 0.23 0.11 0.00 -0.34 0.00 0.00 178.44 178.45 3i59 h ALA 220 N 1.61 0.70 -0.73 1.25 0.00 -0.73 -1.36 119.26 120.00 3i59 h ALA 220 Ca 0.50 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3i59 h ALA 220 Cb 1.00 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3i59 h ALA 220 CO -0.24 0.41 0.28 0.00 0.00 0.00 0.00 179.25 179.71 3i59 h ARG 221 N 0.74 1.09 0.00 0.00 3.08 -0.26 -2.68 114.38 116.36 3i59 h ARG 221 Ca 0.16 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 3i59 h ARG 221 Cb 0.37 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3i59 h ARG 221 CO 0.01 0.90 -0.39 -0.09 -1.07 0.00 0.00 179.97 179.32 3i59 h ARG 222 N 1.04 0.00 0.00 0.04 9.65 -0.80 -3.52 114.38 120.79 3i59 h ARG 222 Ca 0.24 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.12 3i59 h ARG 222 Cb 0.22 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.80 3i59 h ARG 222 CO -0.02 0.39 0.00 0.00 2.80 0.00 0.00 179.97 183.15