#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ij9 s LYS 2 N 0.00 0.86 -0.04 -4.13 -2.85 -0.92 -5.01 119.74 107.65 1ij9 s LYS 2 Ca 0.00 -1.23 0.06 0.00 -1.00 0.00 0.00 55.97 53.80 1ij9 s LYS 2 Cb 0.00 0.28 -0.01 0.00 -2.06 0.00 0.00 37.83 36.03 1ij9 s LYS 2 CO 0.00 -0.25 -0.23 -1.50 0.10 0.00 0.00 175.35 173.47 1ij9 s ILE 3 N -3.96 1.86 0.17 3.79 2.07 -1.26 -2.14 121.20 121.73 1ij9 s ILE 3 Ca 0.14 -0.98 0.08 0.00 -1.41 0.00 0.00 60.65 58.48 1ij9 s ILE 3 Cb 0.06 -1.56 -0.04 0.00 0.13 0.00 0.00 42.46 41.05 1ij9 s ILE 3 CO -0.05 0.52 -0.16 -1.61 -1.91 0.00 0.00 174.94 171.74 1ij9 s GLU 4 N -0.30 1.25 0.04 3.50 2.02 0.10 -4.98 118.70 120.33 1ij9 s GLU 4 Ca 0.02 -1.44 -0.04 0.00 0.02 0.00 0.00 54.97 53.53 1ij9 s GLU 4 Cb -0.11 -1.18 -0.02 0.00 0.10 0.00 0.00 34.13 32.92 1ij9 s GLU 4 CO 0.01 0.22 0.05 0.95 0.02 0.00 0.00 175.26 176.52 1ij9 s THR 5 N -2.39 0.14 -0.09 3.63 -4.23 -1.26 -0.33 115.64 111.11 1ij9 s THR 5 Ca 0.17 -1.19 -0.03 0.00 -1.18 0.00 0.00 61.69 59.45 1ij9 s THR 5 Cb -0.04 -0.90 0.05 0.00 1.34 0.00 0.00 72.50 72.95 1ij9 s THR 5 CO 0.06 -0.66 0.14 0.42 -0.54 0.00 0.00 174.62 174.04 1ij9 s THR 6 N -2.65 -0.21 1.10 3.99 -4.23 -0.96 -3.80 115.64 108.88 1ij9 s THR 6 Ca -0.05 0.27 -0.12 0.00 -1.18 0.00 0.00 61.69 60.62 1ij9 s THR 6 Cb -0.01 -0.33 0.25 0.00 1.34 0.00 0.00 72.50 73.75 1ij9 s THR 6 CO -0.05 0.08 1.06 -2.16 -0.54 0.00 0.00 174.62 173.00 1ij9 s PRO 7 N 2.25 -0.40 0.07 3.99 0.04 -1.26 -2.55 135.00 137.14 1ij9 s PRO 7 Ca 0.04 0.98 -0.29 0.00 0.04 0.00 0.00 61.00 61.77 1ij9 s PRO 7 Cb -0.13 -1.60 -0.18 0.00 0.04 0.00 0.00 34.50 32.63 1ij9 s PRO 7 CO -0.06 -3.41 1.61 1.49 0.04 0.00 0.00 177.00 176.67 1ij9 h GLU 8 N -2.41 -0.57 0.00 4.56 4.57 -1.98 -3.43 114.58 115.33 1ij9 h GLU 8 Ca -0.57 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 1ij9 h GLU 8 Cb 1.32 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 30.04 1ij9 h GLU 8 CO 0.49 -0.36 0.00 -1.13 -1.18 0.00 0.00 179.01 176.83 1ij9 n SER 9 N -5.33 0.00 -3.61 1.04 3.41 -1.26 -4.82 113.62 103.05 1ij9 n SER 9 Ca -0.11 -0.19 -0.16 0.00 -0.26 0.00 0.00 58.87 58.16 1ij9 n SER 9 Cb 0.26 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.14 1ij9 n SER 9 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1ij9 s ARG 10 N 0.00 0.88 -0.04 4.33 3.52 -1.26 -1.76 118.95 124.62 1ij9 s ARG 10 Ca 0.00 0.49 -0.00 0.00 -0.13 0.00 0.00 55.73 56.09 1ij9 s ARG 10 Cb 0.00 0.42 0.03 0.00 -1.56 0.00 0.00 34.95 33.84 1ij9 s ARG 10 CO 0.00 -0.21 0.00 -0.47 -0.81 0.00 0.00 175.30 173.81 1ij9 s TYR 11 N -0.53 0.42 -0.42 5.12 6.14 -0.19 -4.84 117.35 123.06 1ij9 s TYR 11 Ca -0.06 -0.04 -0.16 0.00 0.64 0.00 0.00 57.07 57.45 1ij9 s TYR 11 Cb -0.03 -0.54 0.03 0.00 0.42 0.00 0.00 41.96 41.84 1ij9 s TYR 11 CO 0.05 -0.19 0.38 -1.17 0.64 0.00 0.00 175.55 175.27 1ij9 s LEU 12 N 1.35 5.04 -0.08 6.97 2.96 -1.26 -0.91 118.68 132.74 1ij9 s LEU 12 Ca -0.05 -0.84 0.02 0.00 -0.22 0.00 0.00 54.13 53.04 1ij9 s LEU 12 Cb -0.13 -2.27 -0.02 0.00 0.50 0.00 0.00 46.19 44.26 1ij9 s LEU 12 CO -0.02 -0.54 -0.12 0.00 -1.32 0.00 0.00 176.35 174.34 1ij9 s ALA 13 N 1.92 2.71 -0.01 5.97 0.00 0.11 -4.89 121.76 127.56 1ij9 s ALA 13 Ca 0.08 -0.93 -0.21 0.00 0.00 0.00 0.00 51.96 50.90 1ij9 s ALA 13 Cb -0.19 -1.10 -0.05 0.00 0.00 0.00 0.00 23.12 21.78 1ij9 s ALA 13 CO 0.11 0.45 0.62 -1.14 0.00 0.00 0.00 175.76 175.80 1ij9 s GLN 14 N -0.36 4.35 0.26 0.00 0.74 -1.26 -1.81 119.66 121.58 1ij9 s GLN 14 Ca 0.04 0.78 -0.30 0.00 0.05 0.00 0.00 55.36 55.92 1ij9 s GLN 14 Cb -0.12 -3.36 -0.14 0.00 1.10 0.00 0.00 33.01 30.49 1ij9 s GLN 14 CO 0.02 0.31 1.30 -0.89 -0.55 0.00 0.00 175.29 175.49 1ij9 n ILE 15 N 2.89 1.31 -0.01 -2.34 5.41 -0.55 -2.09 119.36 123.98 1ij9 n ILE 15 Ca -0.06 -0.33 0.00 0.00 1.00 0.00 0.00 62.75 63.37 1ij9 n ILE 15 Cb 0.51 -1.35 0.00 0.00 -0.71 0.00 0.00 39.64 38.09 1ij9 n ILE 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ij9 n GLY 16 N 1.71 0.28 3.96 7.39 0.00 -0.94 -4.94 105.19 112.65 1ij9 n GLY 16 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 1ij9 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ij9 s ASP 17 N -2.29 4.92 -0.26 1.61 1.01 -0.89 -4.63 116.67 116.14 1ij9 s ASP 17 Ca 0.00 0.05 -0.05 0.00 0.71 0.00 0.00 52.55 53.26 1ij9 s ASP 17 Cb 0.00 -0.75 0.01 0.00 1.01 0.00 0.00 42.92 43.18 1ij9 s ASP 17 CO 0.00 -1.44 0.02 -0.55 0.21 0.00 0.00 175.17 173.40 1ij9 s SER 18 N -4.52 4.74 -0.03 0.27 0.15 -1.26 -0.73 113.70 112.31 1ij9 s SER 18 Ca 0.60 -0.63 0.07 0.00 0.70 0.00 0.00 55.95 56.69 1ij9 s SER 18 Cb -0.09 -1.80 -0.02 0.00 -1.71 0.00 0.00 66.02 62.40 1ij9 s SER 18 CO 0.42 -0.12 -0.24 -0.69 1.20 0.00 0.00 173.24 173.80 1ij9 s VAL 19 N 1.46 1.95 -0.11 4.45 1.01 -0.07 -5.00 120.40 124.09 1ij9 s VAL 19 Ca 0.03 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 61.01 1ij9 s VAL 19 Cb -0.16 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.60 1ij9 s VAL 19 CO -0.00 0.55 -0.23 -0.44 0.00 0.00 0.00 175.10 174.97 1ij9 s SER 20 N -0.44 3.09 -0.21 3.32 0.01 -1.26 -0.66 113.70 117.54 1ij9 s SER 20 Ca 0.05 -0.57 -0.05 0.00 1.31 0.00 0.00 55.95 56.69 1ij9 s SER 20 Cb -0.11 -1.41 -0.02 0.00 0.21 0.00 0.00 66.02 64.69 1ij9 s SER 20 CO 0.00 0.14 0.00 -0.76 0.41 0.00 0.00 173.24 173.04 1ij9 s LEU 21 N 0.45 3.21 0.08 2.44 1.02 0.69 -4.75 118.68 121.82 1ij9 s LEU 21 Ca -0.16 -0.24 0.05 0.00 0.02 0.00 0.00 54.13 53.79 1ij9 s LEU 21 Cb -0.17 -1.83 -0.04 0.00 0.02 0.00 0.00 46.19 44.17 1ij9 s LEU 21 CO 0.06 0.03 -0.03 0.42 0.02 0.00 0.00 176.35 176.86 1ij9 s THR 22 N 1.22 3.86 -0.05 5.49 -4.23 -1.06 -0.02 115.64 120.85 1ij9 s THR 22 Ca 0.03 -1.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.53 1ij9 s THR 22 Cb -0.15 -2.81 0.03 0.00 1.34 0.00 0.00 72.50 70.91 1ij9 s THR 22 CO 0.01 0.16 0.02 0.00 -0.54 0.00 0.00 174.62 174.27 1ij9 s SER 24 N 1.80 2.58 0.10 0.00 0.01 0.54 -0.85 113.70 117.88 1ij9 s SER 24 Ca 0.01 -1.02 0.03 0.00 1.31 0.00 0.00 55.95 56.28 1ij9 s SER 24 Cb -0.12 -0.14 -0.04 0.00 0.21 0.00 0.00 66.02 65.93 1ij9 s SER 24 CO -0.04 -0.17 -0.09 0.42 0.41 0.00 0.00 173.24 173.78 1ij9 s THR 25 N -2.97 0.85 -0.01 1.44 -4.23 -1.11 0.00 115.64 109.61 1ij9 s THR 25 Ca 0.23 -1.75 0.01 0.00 -1.18 0.00 0.00 61.69 59.00 1ij9 s THR 25 Cb -0.01 -1.47 0.00 0.00 1.34 0.00 0.00 72.50 72.37 1ij9 s THR 25 CO 0.07 -0.67 -0.04 0.42 -0.54 0.00 0.00 174.62 173.86 1ij9 s THR 26 N -2.86 0.33 0.00 3.99 -4.23 -0.91 -4.80 115.64 107.16 1ij9 s THR 26 Ca 0.08 -0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.46 1ij9 s THR 26 Cb -0.00 -0.32 0.00 0.00 1.34 0.00 0.00 72.50 73.52 1ij9 s THR 26 CO -0.01 0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 1ij9 n GLY 27 N 3.29 0.96 2.85 3.99 0.00 -1.26 -2.16 105.19 112.85 1ij9 n GLY 27 Ca -0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 1ij9 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ij9 h GLU 29 N 7.31 -0.11 -2.67 0.00 4.81 -1.98 -3.41 114.58 118.52 1ij9 h GLU 29 Ca -0.38 0.01 -0.60 0.00 -0.13 0.00 0.00 59.36 58.26 1ij9 h GLU 29 Cb 1.14 0.02 -0.40 0.00 0.63 0.00 0.00 28.75 30.15 1ij9 h GLU 29 CO 0.45 0.43 -0.82 0.45 -0.73 0.00 0.00 179.01 178.79 1ij9 s SER 30 N -5.66 2.82 0.62 1.04 0.15 -1.26 -4.88 113.70 106.53 1ij9 s SER 30 Ca -0.15 -3.24 -0.12 0.00 0.70 0.00 0.00 55.95 53.15 1ij9 s SER 30 Cb 0.00 -0.88 -0.04 0.00 -1.71 0.00 0.00 66.02 63.39 1ij9 s SER 30 CO 0.58 -0.16 1.03 -2.16 1.20 0.00 0.00 173.24 173.73 1ij9 s PRO 31 N -0.35 3.56 -0.25 5.44 0.04 -1.26 -4.76 135.00 137.42 1ij9 s PRO 31 Ca 0.28 0.80 0.02 0.00 0.04 0.00 0.00 61.00 62.14 1ij9 s PRO 31 Cb -0.03 -2.08 0.05 0.00 0.04 0.00 0.00 34.50 32.49 1ij9 s PRO 31 CO -0.16 -0.60 -0.12 0.12 0.04 0.00 0.00 177.00 176.28 1ij9 s PHE 32 N -3.10 3.18 0.33 0.56 5.36 0.05 -4.94 117.98 119.41 1ij9 s PHE 32 Ca 0.56 -2.19 -0.15 0.00 -0.96 0.00 0.00 56.93 54.19 1ij9 s PHE 32 Cb -0.11 -1.93 -0.09 0.00 -0.34 0.00 0.00 43.02 40.55 1ij9 s PHE 32 CO 0.52 -0.86 0.74 -0.06 -1.46 0.00 0.00 175.22 174.09 1ij9 s PHE 33 N 1.14 3.38 -0.23 10.12 0.40 -1.26 -1.59 117.98 129.94 1ij9 s PHE 33 Ca -0.06 1.20 -0.09 0.00 -0.60 0.00 0.00 56.93 57.38 1ij9 s PHE 33 Cb -0.19 -2.53 0.09 0.00 0.51 0.00 0.00 43.02 40.91 1ij9 s PHE 33 CO -0.06 0.07 0.51 0.45 0.70 0.00 0.00 175.22 176.88 1ij9 s SER 34 N -2.36 -0.61 0.24 1.36 0.15 0.13 -4.97 113.70 107.64 1ij9 s SER 34 Ca 0.54 1.17 0.07 0.00 0.70 0.00 0.00 55.95 58.44 1ij9 s SER 34 Cb -0.10 1.44 -0.04 0.00 -1.71 0.00 0.00 66.02 65.61 1ij9 s SER 34 CO 0.19 -0.22 0.16 0.26 1.20 0.00 0.00 173.24 174.83 1ij9 s TRP 35 N 2.26 3.06 -0.16 3.44 0.52 -1.26 0.23 118.94 127.04 1ij9 s TRP 35 Ca -0.06 -0.11 -0.34 0.00 0.02 0.00 0.00 56.10 55.61 1ij9 s TRP 35 Cb -0.10 -1.39 0.13 0.00 -1.15 0.00 0.00 33.47 30.96 1ij9 s TRP 35 CO -0.15 0.53 1.14 -0.98 0.02 0.00 0.00 176.95 177.51 1ij9 s ARG 36 N -3.72 0.41 0.33 4.98 1.70 -0.83 -4.99 118.95 116.82 1ij9 s ARG 36 Ca 0.32 -0.14 0.02 0.00 -0.47 0.00 0.00 55.73 55.47 1ij9 s ARG 36 Cb -0.08 0.19 -0.03 0.00 -0.57 0.00 0.00 34.95 34.46 1ij9 s ARG 36 CO 0.24 -0.18 0.50 0.95 -1.08 0.00 0.00 175.30 175.73 1ij9 s THR 37 N -2.49 4.91 0.21 4.99 -4.23 -1.26 0.17 115.64 117.95 1ij9 s THR 37 Ca 0.08 -0.69 -0.09 0.00 -1.18 0.00 0.00 61.69 59.82 1ij9 s THR 37 Cb -0.01 -3.77 0.17 0.00 1.34 0.00 0.00 72.50 70.23 1ij9 s THR 37 CO -0.05 -0.42 1.72 1.56 -0.54 0.00 0.00 174.62 176.89 1ij9 h GLN 38 N 0.85 0.32 -0.02 3.99 1.08 -1.92 -2.06 115.11 117.36 1ij9 h GLN 38 Ca -0.50 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 56.69 1ij9 h GLN 38 Cb 1.23 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 1ij9 h GLN 38 CO 0.60 0.21 -0.06 0.44 -0.95 0.00 0.00 178.83 179.07 1ij9 n ILE 39 N -5.07 0.00 -2.60 2.54 -5.35 -1.26 -5.02 119.36 102.61 1ij9 n ILE 39 Ca 0.10 -0.29 -0.05 0.00 -0.27 0.00 0.00 62.75 62.24 1ij9 n ILE 39 Cb 0.32 0.75 0.01 0.00 -1.74 0.00 0.00 39.64 38.98 1ij9 n ILE 39 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1ij9 n ASP 40 N 0.31 -6.97 -4.14 7.28 9.92 -0.77 -5.09 116.55 117.09 1ij9 n ASP 40 Ca 0.16 0.61 -0.09 0.00 -0.53 0.00 0.00 54.79 54.94 1ij9 n ASP 40 Cb 0.41 -4.65 -0.10 0.00 -0.64 0.00 0.00 41.12 36.15 1ij9 n ASP 40 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1ij9 s SER 41 N -2.12 0.32 0.16 -2.24 1.04 -1.26 -5.00 113.70 104.59 1ij9 s SER 41 Ca 0.16 -1.18 -0.33 0.00 0.48 0.00 0.00 55.95 55.08 1ij9 s SER 41 Cb -0.05 0.29 -0.16 0.00 0.10 0.00 0.00 66.02 66.21 1ij9 s SER 41 CO 0.64 -0.72 1.22 -0.81 0.98 0.00 0.00 173.24 174.55 1ij9 n PRO 42 N -0.08 1.23 0.12 4.02 -0.04 -1.26 -4.53 135.00 134.47 1ij9 n PRO 42 Ca -0.06 0.44 0.04 0.00 -0.04 0.00 0.00 63.50 63.87 1ij9 n PRO 42 Cb 0.63 -1.98 0.44 0.00 -0.04 0.00 0.00 33.50 32.55 1ij9 n PRO 42 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ij9 h LEU 43 N 3.67 0.22 -1.07 1.53 3.38 -1.97 -3.47 115.31 117.60 1ij9 h LEU 43 Ca -0.44 -0.03 -0.42 0.00 0.09 0.00 0.00 57.88 57.08 1ij9 h LEU 43 Cb 1.34 -0.06 0.08 0.00 0.09 0.00 0.00 40.66 42.11 1ij9 h LEU 43 CO 0.72 0.31 -0.73 0.59 0.09 0.00 0.00 178.44 179.42 1ij9 n ASN 44 N -4.35 -4.91 -3.70 -0.43 3.02 -1.26 -4.78 115.26 98.85 1ij9 n ASN 44 Ca -0.01 -0.65 -0.10 0.00 -0.03 0.00 0.00 54.58 53.80 1ij9 n ASN 44 Cb 0.21 -4.61 -0.04 0.00 -0.61 0.00 0.00 39.78 34.74 1ij9 n ASN 44 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1ij9 s GLY 45 N -3.54 -0.16 -0.20 7.41 0.00 -1.26 -4.63 107.32 104.94 1ij9 s GLY 45 Ca 0.49 -0.14 -0.06 0.00 0.00 0.00 0.00 44.72 45.01 1ij9 s GLY 45 CO 0.77 -0.22 0.02 1.25 0.00 0.00 0.00 173.10 174.92 1ij9 s LYS 46 N -3.86 3.72 -0.02 2.90 2.20 0.58 -4.85 119.74 120.41 1ij9 s LYS 46 Ca 0.08 -0.47 -0.15 0.00 -0.36 0.00 0.00 55.97 55.07 1ij9 s LYS 46 Cb -0.01 -3.12 -0.05 0.00 -1.51 0.00 0.00 37.83 33.13 1ij9 s LYS 46 CO -0.04 0.09 0.41 0.08 -0.36 0.00 0.00 175.35 175.52 1ij9 s VAL 47 N 0.83 5.06 -0.32 4.02 1.01 -1.26 0.01 120.40 129.75 1ij9 s VAL 47 Ca 0.01 0.83 -0.02 0.00 0.00 0.00 0.00 61.98 62.81 1ij9 s VAL 47 Cb -0.14 -3.72 0.12 0.00 0.00 0.00 0.00 36.38 32.64 1ij9 s VAL 47 CO 0.02 0.54 0.17 -0.89 0.00 0.00 0.00 175.10 174.94 1ij9 s THR 48 N -0.80 0.09 -0.25 3.92 2.01 -0.19 -4.95 115.64 115.48 1ij9 s THR 48 Ca 0.24 -1.30 -0.26 0.00 0.31 0.00 0.00 61.69 60.67 1ij9 s THR 48 Cb -0.16 -1.09 0.00 0.00 0.01 0.00 0.00 72.50 71.26 1ij9 s THR 48 CO 0.12 -0.87 0.92 0.20 -0.69 0.00 0.00 174.62 174.30 1ij9 s ASN 49 N 1.52 6.92 -0.27 3.53 0.02 -1.26 -2.19 114.94 123.22 1ij9 s ASN 49 Ca 0.14 1.14 -0.02 0.00 -1.02 0.00 0.00 52.86 53.09 1ij9 s ASN 49 Cb -0.20 -2.48 0.09 0.00 0.02 0.00 0.00 41.25 38.68 1ij9 s ASN 49 CO -0.16 -0.60 0.09 -0.70 0.02 0.00 0.00 177.10 175.75 1ij9 s GLU 50 N 3.02 0.53 7.17 -0.60 2.12 0.82 -5.00 118.70 126.76 1ij9 s GLU 50 Ca 0.39 -0.71 0.00 0.00 0.36 0.00 0.00 54.97 55.00 1ij9 s GLU 50 Cb -0.15 -1.79 0.00 0.00 0.26 0.00 0.00 34.13 32.45 1ij9 s GLU 50 CO 0.08 -0.89 0.00 0.41 -0.54 0.00 0.00 175.26 174.32 1ij9 n GLY 51 N 5.03 2.50 1.44 -1.50 0.00 -1.26 -2.15 105.19 109.24 1ij9 n GLY 51 Ca -0.05 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 1ij9 n GLY 51 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ij9 n THR 52 N 0.00 2.71 -3.76 2.61 -2.24 -1.26 -4.72 114.28 107.63 1ij9 n THR 52 Ca 0.00 -2.45 -0.15 0.00 -2.27 0.00 0.00 64.05 59.18 1ij9 n THR 52 Cb 0.00 -0.35 -0.16 0.00 -2.10 0.00 0.00 70.33 67.72 1ij9 n THR 52 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ij9 s THR 53 N -3.22 -0.07 -0.07 4.28 2.01 -0.92 -2.76 115.64 114.90 1ij9 s THR 53 Ca 0.48 0.23 0.03 0.00 0.31 0.00 0.00 61.69 62.74 1ij9 s THR 53 Cb 0.42 -0.11 -0.02 0.00 0.01 0.00 0.00 72.50 72.80 1ij9 s THR 53 CO 0.04 0.10 -0.14 -0.55 -0.69 0.00 0.00 174.62 173.37 1ij9 s SER 54 N 1.19 4.03 -0.13 3.53 0.15 -0.03 -0.13 113.70 122.32 1ij9 s SER 54 Ca -0.08 -0.22 -0.00 0.00 0.70 0.00 0.00 55.95 56.35 1ij9 s SER 54 Cb -0.13 -1.01 0.03 0.00 -1.71 0.00 0.00 66.02 63.20 1ij9 s SER 54 CO -0.03 0.31 -0.08 -0.89 1.20 0.00 0.00 173.24 173.75 1ij9 s THR 55 N -0.51 1.10 -0.30 6.45 2.01 -0.93 -0.70 115.64 122.76 1ij9 s THR 55 Ca 0.07 -0.41 -0.16 0.00 0.31 0.00 0.00 61.69 61.49 1ij9 s THR 55 Cb -0.12 -1.15 -0.02 0.00 0.01 0.00 0.00 72.50 71.22 1ij9 s THR 55 CO 0.02 0.31 0.42 -0.22 -0.69 0.00 0.00 174.62 174.46 1ij9 s LEU 56 N 1.67 4.20 -0.22 4.42 2.96 0.97 -1.02 118.68 131.66 1ij9 s LEU 56 Ca 0.04 0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 54.06 1ij9 s LEU 56 Cb -0.13 -2.47 0.01 0.00 0.50 0.00 0.00 46.19 44.09 1ij9 s LEU 56 CO -0.08 -0.30 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.67 1ij9 s THR 57 N 2.17 2.94 -0.26 3.68 2.01 0.10 -0.23 115.64 126.05 1ij9 s THR 57 Ca 0.16 -0.74 -0.08 0.00 0.31 0.00 0.00 61.69 61.33 1ij9 s THR 57 Cb -0.16 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 1ij9 s THR 57 CO 0.11 0.39 0.11 -0.04 -0.69 0.00 0.00 174.62 174.50 1ij9 s MET 58 N 1.39 3.69 -0.27 4.92 -1.94 0.16 -0.31 119.30 126.94 1ij9 s MET 58 Ca 0.04 -0.47 -0.05 0.00 -1.71 0.00 0.00 55.69 53.51 1ij9 s MET 58 Cb -0.15 -3.44 0.15 0.00 2.01 0.00 0.00 34.83 33.40 1ij9 s MET 58 CO -0.06 -0.21 0.54 1.21 -0.01 0.00 0.00 175.02 176.49 1ij9 s ASN 59 N 1.65 -0.84 0.42 3.03 3.04 -1.26 -0.89 114.94 120.09 1ij9 s ASN 59 Ca 0.06 0.98 -0.07 0.00 0.04 0.00 0.00 52.86 53.88 1ij9 s ASN 59 Cb -0.16 1.89 -0.05 0.00 -1.54 0.00 0.00 41.25 41.39 1ij9 s ASN 59 CO 0.06 -0.25 0.73 -2.16 -3.04 0.00 0.00 177.10 172.44 1ij9 s PRO 60 N 2.77 3.64 0.33 0.43 0.04 -1.26 -5.07 135.00 135.88 1ij9 s PRO 60 Ca 0.08 0.24 -0.29 0.00 0.04 0.00 0.00 61.00 61.08 1ij9 s PRO 60 Cb -0.14 -2.43 -0.10 0.00 0.04 0.00 0.00 34.50 31.87 1ij9 s PRO 60 CO -0.18 -0.07 1.29 0.08 0.04 0.00 0.00 177.00 178.16 1ij9 s VAL 61 N -2.49 2.79 0.15 -0.36 1.01 0.09 -4.85 120.40 116.74 1ij9 s VAL 61 Ca 0.48 0.79 0.00 0.00 0.00 0.00 0.00 61.98 63.25 1ij9 s VAL 61 Cb -0.10 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.78 1ij9 s VAL 61 CO 0.37 0.18 0.19 -1.54 0.00 0.00 0.00 175.10 174.31 1ij9 n SER 62 N 0.80 -0.53 0.20 3.32 3.41 -1.26 -2.21 113.62 117.34 1ij9 n SER 62 Ca 0.00 -1.88 0.14 0.00 -0.26 0.00 0.00 58.87 56.87 1ij9 n SER 62 Cb 0.42 1.03 0.67 0.00 -0.26 0.00 0.00 64.21 66.07 1ij9 n SER 62 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1ij9 h PHE 63 N 1.46 0.00 0.00 7.33 0.04 -1.96 -0.65 116.94 123.15 1ij9 h PHE 63 Ca -0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.65 1ij9 h PHE 63 Cb 0.53 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.68 1ij9 h PHE 63 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 1ij9 n GLY 64 N -0.60 -1.58 0.96 -1.45 0.00 -1.26 -3.00 105.19 98.25 1ij9 n GLY 64 Ca -0.00 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.10 1ij9 n GLY 64 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ij9 n ASN 65 N -2.01 2.89 -3.89 1.61 5.03 -0.25 -4.70 115.26 113.93 1ij9 n ASN 65 Ca 0.06 -1.91 -0.42 0.00 0.87 0.00 0.00 54.58 53.17 1ij9 n ASN 65 Cb 0.37 -0.16 0.00 0.00 -1.02 0.00 0.00 39.78 38.97 1ij9 n ASN 65 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1ij9 n GLU 66 N 1.14 3.19 -4.02 3.52 2.13 -1.16 -4.75 120.64 120.70 1ij9 n GLU 66 Ca 0.18 -3.06 -0.17 0.00 0.66 0.00 0.00 57.16 54.76 1ij9 n GLU 66 Cb 0.53 -3.16 -0.07 0.00 0.27 0.00 0.00 31.44 29.01 1ij9 n GLU 66 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1ij9 n HIS 67 N 5.45 -0.78 -3.66 4.31 8.25 -1.22 -5.00 115.22 122.55 1ij9 n HIS 67 Ca 0.46 -2.53 -0.39 0.00 -0.26 0.00 0.00 57.72 55.01 1ij9 n HIS 67 Cb 0.39 0.29 -0.11 0.00 1.12 0.00 0.00 29.99 31.68 1ij9 n HIS 67 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1ij9 s SER 68 N -3.11 5.51 0.07 0.41 0.01 -1.26 -0.89 113.70 114.44 1ij9 s SER 68 Ca 0.36 -1.39 -0.30 0.00 1.31 0.00 0.00 55.95 55.92 1ij9 s SER 68 Cb 0.02 -1.94 -0.05 0.00 0.21 0.00 0.00 66.02 64.26 1ij9 s SER 68 CO 0.25 -0.46 0.98 -0.31 0.41 0.00 0.00 173.24 174.11 1ij9 s TYR 69 N 1.41 3.73 -0.27 2.43 2.02 0.02 -2.82 117.35 123.86 1ij9 s TYR 69 Ca 0.02 1.74 -0.04 0.00 -0.37 0.00 0.00 57.07 58.42 1ij9 s TYR 69 Cb -0.22 -3.10 0.02 0.00 -0.40 0.00 0.00 41.96 38.26 1ij9 s TYR 69 CO 0.02 0.04 0.00 -0.51 -1.57 0.00 0.00 175.55 173.54 1ij9 s LEU 70 N 0.40 3.48 -0.07 -1.29 1.43 0.13 0.12 118.68 122.87 1ij9 s LEU 70 Ca 0.49 -0.77 -0.18 0.00 -1.03 0.00 0.00 54.13 52.65 1ij9 s LEU 70 Cb -0.23 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 1ij9 s LEU 70 CO 0.29 -0.15 0.47 0.00 0.23 0.00 0.00 176.35 177.19 1ij9 s THR 72 N 0.06 1.48 -0.20 0.00 2.01 0.13 -1.56 115.64 117.56 1ij9 s THR 72 Ca 0.26 -0.61 -0.02 0.00 0.31 0.00 0.00 61.69 61.62 1ij9 s THR 72 Cb -0.16 -1.37 -0.00 0.00 0.01 0.00 0.00 72.50 70.98 1ij9 s THR 72 CO 0.12 0.44 -0.10 0.00 -0.69 0.00 0.00 174.62 174.39 1ij9 s ALA 73 N 1.18 2.65 -0.14 7.40 0.00 -0.34 -0.69 121.76 131.81 1ij9 s ALA 73 Ca -0.03 -1.16 -0.04 0.00 0.00 0.00 0.00 51.96 50.74 1ij9 s ALA 73 Cb -0.14 -1.50 -0.03 0.00 0.00 0.00 0.00 23.12 21.45 1ij9 s ALA 73 CO -0.05 -0.34 -0.01 0.99 0.00 0.00 0.00 175.76 176.35 1ij9 s THR 74 N 1.32 4.16 -0.39 0.00 2.01 -0.62 -1.39 115.64 120.72 1ij9 s THR 74 Ca 0.04 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 61.78 1ij9 s THR 74 Cb -0.14 -2.81 0.12 0.00 0.01 0.00 0.00 72.50 69.67 1ij9 s THR 74 CO -0.05 0.51 0.17 0.00 -0.69 0.00 0.00 174.62 174.56 1ij9 n GLU 76 N 4.01 0.00 -0.00 0.00 1.02 -1.26 -1.97 120.64 122.44 1ij9 n GLU 76 Ca 0.04 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.25 1ij9 n GLU 76 Cb 0.38 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.72 1ij9 n GLU 76 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1ij9 n SER 77 N 6.93 0.68 -4.87 1.62 3.41 -1.26 -4.99 113.62 115.14 1ij9 n SER 77 Ca 0.00 -0.81 -0.37 0.00 -0.26 0.00 0.00 58.87 57.43 1ij9 n SER 77 Cb 0.00 1.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.90 1ij9 n SER 77 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ij9 s ARG 78 N -2.32 3.57 0.04 4.33 0.52 -0.83 -5.10 118.95 119.15 1ij9 s ARG 78 Ca 0.05 -0.01 0.08 0.00 -0.52 0.00 0.00 55.73 55.33 1ij9 s ARG 78 Cb 0.10 -3.20 -0.03 0.00 0.52 0.00 0.00 34.95 32.34 1ij9 s ARG 78 CO 0.57 0.75 -0.23 0.15 0.02 0.00 0.00 175.30 176.55 1ij9 s LYS 79 N -1.00 1.59 0.01 3.54 1.02 -1.26 -0.30 119.74 123.34 1ij9 s LYS 79 Ca 0.17 -1.01 0.03 0.00 0.02 0.00 0.00 55.97 55.18 1ij9 s LYS 79 Cb -0.13 -1.72 -0.01 0.00 -0.52 0.00 0.00 37.83 35.44 1ij9 s LYS 79 CO 0.06 0.44 -0.10 -0.51 -0.92 0.00 0.00 175.35 174.32 1ij9 s LEU 80 N -1.16 2.09 0.03 3.17 1.43 -0.49 -4.99 118.68 118.76 1ij9 s LEU 80 Ca 0.09 -0.29 0.05 0.00 -1.03 0.00 0.00 54.13 52.95 1ij9 s LEU 80 Cb -0.09 -0.46 -0.02 0.00 0.03 0.00 0.00 46.19 45.65 1ij9 s LEU 80 CO 0.02 0.05 -0.14 -0.70 0.23 0.00 0.00 176.35 175.81 1ij9 s GLU 81 N -0.64 0.93 -0.24 1.70 2.12 -1.26 -1.20 118.70 120.11 1ij9 s GLU 81 Ca 0.01 -0.71 -0.13 0.00 0.36 0.00 0.00 54.97 54.50 1ij9 s GLU 81 Cb -0.05 -0.92 0.08 0.00 0.26 0.00 0.00 34.13 33.49 1ij9 s GLU 81 CO 0.00 0.23 0.57 0.21 -0.54 0.00 0.00 175.26 175.74 1ij9 s LYS 82 N -1.03 0.57 0.32 4.30 2.20 -0.60 -5.01 119.74 120.49 1ij9 s LYS 82 Ca 0.02 1.09 0.07 0.00 -0.36 0.00 0.00 55.97 56.78 1ij9 s LYS 82 Cb -0.07 0.16 -0.02 0.00 -1.51 0.00 0.00 37.83 36.38 1ij9 s LYS 82 CO 0.01 -0.16 0.36 0.20 -0.36 0.00 0.00 175.35 175.40 1ij9 s GLY 83 N 1.72 1.65 -0.08 5.54 0.00 -1.26 -0.79 107.32 114.10 1ij9 s GLY 83 Ca -0.09 -1.54 -0.03 0.00 0.00 0.00 0.00 44.72 43.06 1ij9 s GLY 83 CO -0.17 -1.47 0.07 -0.42 0.00 0.00 0.00 173.10 171.11 1ij9 s ILE 84 N -2.22 -0.10 -0.24 0.90 1.01 0.12 -4.72 121.20 115.94 1ij9 s ILE 84 Ca 0.42 0.25 -0.27 0.00 0.00 0.00 0.00 60.65 61.05 1ij9 s ILE 84 Cb -0.08 -0.28 0.00 0.00 0.01 0.00 0.00 42.46 42.12 1ij9 s ILE 84 CO 0.28 0.04 0.93 -1.58 0.00 0.00 0.00 174.94 174.61 1ij9 s GLN 85 N 2.16 4.20 -0.24 2.79 0.74 -0.72 -0.80 119.66 127.79 1ij9 s GLN 85 Ca 0.04 1.12 -0.08 0.00 0.05 0.00 0.00 55.36 56.49 1ij9 s GLN 85 Cb -0.13 -3.65 -0.04 0.00 1.10 0.00 0.00 33.01 30.29 1ij9 s GLN 85 CO -0.05 -0.59 0.10 0.08 -0.55 0.00 0.00 175.29 174.28 1ij9 s VAL 86 N 3.04 4.72 -0.07 1.34 1.01 -0.06 -1.02 120.40 129.36 1ij9 s VAL 86 Ca 0.39 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.37 1ij9 s VAL 86 Cb -0.15 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 1ij9 s VAL 86 CO 0.07 0.34 -0.16 -1.61 0.00 0.00 0.00 175.10 173.75 1ij9 s GLU 87 N 1.35 2.70 0.29 2.72 2.02 -0.09 -3.46 118.70 124.22 1ij9 s GLU 87 Ca 0.06 -0.73 0.09 0.00 0.02 0.00 0.00 54.97 54.40 1ij9 s GLU 87 Cb -0.15 -2.39 -0.04 0.00 0.10 0.00 0.00 34.13 31.65 1ij9 s GLU 87 CO 0.05 0.49 0.06 0.96 0.02 0.00 0.00 175.26 176.84 1ij9 s ILE 88 N -0.40 3.33 -0.02 -1.63 -4.36 -1.25 0.06 121.20 116.93 1ij9 s ILE 88 Ca 0.04 -1.81 -0.30 0.00 -0.26 0.00 0.00 60.65 58.32 1ij9 s ILE 88 Cb -0.12 -2.92 0.07 0.00 1.25 0.00 0.00 42.46 40.74 1ij9 s ILE 88 CO 0.02 -0.30 0.68 -0.72 0.24 0.00 0.00 174.94 174.86 1ij9 s TYR 89 N -2.36 -0.63 -0.12 1.37 1.13 -0.75 -4.63 117.35 111.36 1ij9 s TYR 89 Ca 0.34 0.98 -0.00 0.00 -1.41 0.00 0.00 57.07 56.97 1ij9 s TYR 89 Cb -0.05 0.44 0.02 0.00 -1.10 0.00 0.00 41.96 41.27 1ij9 s TYR 89 CO 0.21 -0.64 -0.09 0.45 -2.51 0.00 0.00 175.55 172.97 1ij9 s SER 90 N -1.46 2.29 -0.43 -0.18 0.15 0.28 -1.48 113.70 112.88 1ij9 s SER 90 Ca -0.09 -0.34 0.08 0.00 0.70 0.00 0.00 55.95 56.30 1ij9 s SER 90 Cb -0.00 -0.91 0.34 0.00 -1.71 0.00 0.00 66.02 63.74 1ij9 s SER 90 CO 0.06 -0.11 1.04 0.33 1.20 0.00 0.00 173.24 175.76 1ij9 n PHE 91 N 4.91 -1.95 -0.09 3.44 7.35 -1.26 -1.09 117.46 128.77 1ij9 n PHE 91 Ca -0.13 -2.55 -0.11 0.00 -0.76 0.00 0.00 57.45 53.90 1ij9 n PHE 91 Cb 0.50 1.06 -0.04 0.00 0.35 0.00 0.00 39.48 41.35 1ij9 n PHE 91 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1ij9 h PRO 92 N 2.91 0.48 -5.66 -7.13 0.13 -1.83 -3.47 132.00 117.42 1ij9 h PRO 92 Ca -0.07 -0.17 -0.47 0.00 -0.87 0.00 0.00 66.00 64.42 1ij9 h PRO 92 Cb 1.09 -0.04 -0.14 0.00 0.13 0.00 0.00 31.00 32.04 1ij9 h PRO 92 CO 0.22 0.67 -0.74 -1.59 -0.23 0.00 0.00 178.00 176.32 1ij9 s LYS 93 N -4.90 1.37 0.81 0.86 -2.85 -1.26 -5.14 119.74 108.63 1ij9 s LYS 93 Ca -0.14 -1.61 -0.11 0.00 -1.00 0.00 0.00 55.97 53.12 1ij9 s LYS 93 Cb 0.08 -1.21 0.08 0.00 -2.06 0.00 0.00 37.83 34.71 1ij9 s LYS 93 CO 0.76 0.21 1.11 -0.51 0.10 0.00 0.00 175.35 177.02 1ij9 s ASP 94 N -3.32 4.05 0.78 0.03 1.01 -1.26 -4.70 116.67 113.25 1ij9 s ASP 94 Ca 0.23 1.96 -0.11 0.00 0.71 0.00 0.00 52.55 55.34 1ij9 s ASP 94 Cb -0.01 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.43 1ij9 s ASP 94 CO 0.08 -2.35 1.08 -2.84 0.21 0.00 0.00 175.17 171.36 1ij9 s PRO 95 N -4.77 2.25 -0.07 8.23 0.02 -1.26 -4.72 135.00 134.69 1ij9 s PRO 95 Ca 0.63 0.81 0.05 0.00 0.02 0.00 0.00 61.00 62.52 1ij9 s PRO 95 Cb -0.19 -1.92 -0.01 0.00 0.02 0.00 0.00 34.50 32.40 1ij9 s PRO 95 CO 0.56 -1.55 -0.24 -1.21 -0.33 0.00 0.00 177.00 174.23 1ij9 s GLU 96 N -5.07 2.54 -0.25 5.54 2.02 0.84 -4.62 118.70 119.70 1ij9 s GLU 96 Ca 0.60 -0.85 -0.08 0.00 0.02 0.00 0.00 54.97 54.66 1ij9 s GLU 96 Cb -0.15 -2.10 -0.03 0.00 0.10 0.00 0.00 34.13 31.95 1ij9 s GLU 96 CO 0.55 0.31 0.09 0.42 0.02 0.00 0.00 175.26 176.65 1ij9 s ILE 97 N -0.01 4.52 -0.21 -1.63 1.01 -1.26 -0.95 121.20 122.67 1ij9 s ILE 97 Ca -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.48 1ij9 s ILE 97 Cb -0.14 -3.12 0.02 0.00 0.01 0.00 0.00 42.46 39.23 1ij9 s ILE 97 CO 0.05 0.33 -0.14 -1.00 0.00 0.00 0.00 174.94 174.17 1ij9 s HIS 98 N 1.57 2.92 -0.13 3.97 3.76 0.45 -4.97 115.29 122.87 1ij9 s HIS 98 Ca 0.06 -1.64 -0.18 0.00 -0.15 0.00 0.00 55.06 53.16 1ij9 s HIS 98 Cb -0.15 -1.97 -0.04 0.00 1.11 0.00 0.00 32.58 31.53 1ij9 s HIS 98 CO 0.05 -0.77 0.47 -0.51 -0.85 0.00 0.00 174.74 173.12 1ij9 s LEU 99 N 1.29 4.26 0.07 0.89 1.43 -1.26 -1.35 118.68 124.02 1ij9 s LEU 99 Ca 0.02 0.78 0.09 0.00 -1.03 0.00 0.00 54.13 53.99 1ij9 s LEU 99 Cb -0.15 -2.67 0.40 0.00 0.03 0.00 0.00 46.19 43.80 1ij9 s LEU 99 CO -0.09 -0.01 1.27 -1.54 0.23 0.00 0.00 176.35 176.21 1ij9 n SER 100 N 3.75 0.14 -0.05 2.29 3.41 0.12 -4.88 113.62 118.40 1ij9 n SER 100 Ca -0.07 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 1ij9 n SER 100 Cb 0.52 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1ij9 n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ij9 n GLY 101 N -0.99 1.02 3.84 5.00 0.00 -1.26 -4.96 105.19 107.84 1ij9 n GLY 101 Ca 0.01 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 1ij9 n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ij9 s PRO 102 N 0.85 4.05 -0.43 1.61 0.04 -1.26 -5.02 135.00 134.84 1ij9 s PRO 102 Ca 0.00 0.76 -0.28 0.00 0.04 0.00 0.00 61.00 61.52 1ij9 s PRO 102 Cb 0.00 -2.37 0.03 0.00 0.04 0.00 0.00 34.50 32.19 1ij9 s PRO 102 CO 0.00 0.11 1.09 -0.51 0.04 0.00 0.00 177.00 177.72 1ij9 s LEU 103 N -3.06 3.77 -0.16 -3.56 1.43 -1.26 -5.00 118.68 110.84 1ij9 s LEU 103 Ca 0.56 0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 54.24 1ij9 s LEU 103 Cb -0.10 -3.49 0.04 0.00 0.03 0.00 0.00 46.19 42.67 1ij9 s LEU 103 CO 0.17 -1.11 -0.04 -1.61 0.23 0.00 0.00 176.35 173.98 1ij9 s GLU 104 N 4.12 1.31 -0.12 1.70 2.02 -1.26 -1.60 118.70 124.87 1ij9 s GLU 104 Ca 0.46 -0.44 -0.40 0.00 0.02 0.00 0.00 54.97 54.61 1ij9 s GLU 104 Cb -0.09 -1.90 -0.17 0.00 0.10 0.00 0.00 34.13 32.06 1ij9 s GLU 104 CO 0.26 -0.43 1.48 0.00 0.02 0.00 0.00 175.26 176.59 1ij9 n ALA 105 N 4.91 -1.10 0.00 5.21 0.00 -1.02 -0.31 120.51 128.20 1ij9 n ALA 105 Ca -0.11 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1ij9 n ALA 105 Cb 0.48 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1ij9 n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ij9 n GLY 106 N 3.15 3.09 3.58 0.00 0.00 -0.03 -4.97 105.19 110.00 1ij9 n GLY 106 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 1ij9 n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ij9 s LYS 107 N -0.28 3.86 0.49 1.61 1.02 0.57 -4.90 119.74 122.12 1ij9 s LYS 107 Ca 0.00 -0.24 -0.23 0.00 0.02 0.00 0.00 55.97 55.52 1ij9 s LYS 107 Cb 0.00 -3.70 -0.07 0.00 -0.52 0.00 0.00 37.83 33.54 1ij9 s LYS 107 CO 0.00 -0.30 1.25 -0.35 -0.92 0.00 0.00 175.35 175.03 1ij9 n PRO 108 N 5.22 1.68 -4.15 -1.68 -0.04 -1.26 -4.16 135.00 130.61 1ij9 n PRO 108 Ca -0.11 0.61 -0.09 0.00 -0.04 0.00 0.00 63.50 63.86 1ij9 n PRO 108 Cb 0.51 -2.41 -0.10 0.00 -0.04 0.00 0.00 33.50 31.46 1ij9 n PRO 108 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1ij9 s ILE 109 N -1.28 0.39 -0.16 0.52 2.07 -0.35 -4.96 121.20 117.43 1ij9 s ILE 109 Ca 0.67 -1.89 0.01 0.00 -1.41 0.00 0.00 60.65 58.03 1ij9 s ILE 109 Cb -0.46 -1.76 0.01 0.00 0.13 0.00 0.00 42.46 40.37 1ij9 s ILE 109 CO 0.53 -0.78 -0.18 -0.89 -1.91 0.00 0.00 174.94 171.71 1ij9 s THR 110 N -3.83 2.32 0.01 4.00 2.01 -1.26 -1.66 115.64 117.22 1ij9 s THR 110 Ca 0.14 -0.88 -0.02 0.00 0.31 0.00 0.00 61.69 61.25 1ij9 s THR 110 Cb 0.07 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 1ij9 s THR 110 CO -0.04 0.53 0.17 -0.69 -0.69 0.00 0.00 174.62 173.90 1ij9 s VAL 111 N 0.99 5.29 -0.12 3.82 1.01 0.47 -0.70 120.40 131.16 1ij9 s VAL 111 Ca -0.02 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 1ij9 s VAL 111 Cb -0.15 -3.49 0.06 0.00 0.00 0.00 0.00 36.38 32.81 1ij9 s VAL 111 CO -0.05 0.29 0.17 -0.75 0.00 0.00 0.00 175.10 174.77 1ij9 s LYS 112 N -2.02 0.07 -0.14 2.72 2.20 -0.46 -1.46 119.74 120.66 1ij9 s LYS 112 Ca 0.28 0.43 -0.03 0.00 -0.36 0.00 0.00 55.97 56.28 1ij9 s LYS 112 Cb -0.13 -0.62 -0.03 0.00 -1.51 0.00 0.00 37.83 35.54 1ij9 s LYS 112 CO 0.20 -0.42 -0.02 0.00 -0.36 0.00 0.00 175.35 174.74 1ij9 s SER 114 N 0.09 1.14 -0.07 0.00 1.04 -0.13 0.74 113.70 116.51 1ij9 s SER 114 Ca 0.00 -0.62 0.03 0.00 0.48 0.00 0.00 55.95 55.84 1ij9 s SER 114 Cb -0.13 0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.01 1ij9 s SER 114 CO 0.02 -0.19 -0.15 -0.69 0.98 0.00 0.00 173.24 173.21 1ij9 s VAL 115 N -1.58 1.37 0.14 5.02 1.01 -0.22 -0.11 120.40 126.02 1ij9 s VAL 115 Ca -0.05 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1ij9 s VAL 115 Cb -0.08 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1ij9 s VAL 115 CO 0.01 0.41 0.26 0.00 0.00 0.00 0.00 175.10 175.77 1ij9 s ALA 116 N 0.54 3.93 -0.77 5.51 0.00 -1.26 -1.87 121.76 127.84 1ij9 s ALA 116 Ca -0.15 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 50.77 1ij9 s ALA 116 Cb -0.16 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.22 1ij9 s ALA 116 CO 0.05 0.58 0.64 -0.25 0.00 0.00 0.00 175.76 176.77 1ij9 n ASP 117 N -0.41 -5.94 -4.23 0.00 8.00 0.11 -4.58 116.55 109.52 1ij9 n ASP 117 Ca -0.07 -0.60 -0.31 0.00 0.71 0.00 0.00 54.79 54.52 1ij9 n ASP 117 Cb 0.54 -2.98 -0.17 0.00 -0.02 0.00 0.00 41.12 38.49 1ij9 n ASP 117 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ij9 s VAL 118 N -2.92 1.95 -0.17 2.53 1.01 0.45 -4.07 120.40 119.18 1ij9 s VAL 118 Ca 0.02 -0.99 -0.10 0.00 0.00 0.00 0.00 61.98 60.92 1ij9 s VAL 118 Cb -0.00 -1.67 0.06 0.00 0.00 0.00 0.00 36.38 34.77 1ij9 s VAL 118 CO 0.84 0.54 0.41 -0.47 0.00 0.00 0.00 175.10 176.42 1ij9 s TYR 119 N 0.07 -0.58 -0.03 5.22 5.04 -0.25 -3.27 117.35 123.55 1ij9 s TYR 119 Ca -0.10 1.26 -0.20 0.00 -2.44 0.00 0.00 57.07 55.59 1ij9 s TYR 119 Cb -0.15 0.25 -0.05 0.00 0.35 0.00 0.00 41.96 42.36 1ij9 s TYR 119 CO 0.05 -0.33 0.56 -1.25 -1.34 0.00 0.00 175.55 173.25 1ij9 s PRO 120 N 1.30 4.30 0.00 4.97 0.04 -1.26 0.10 135.00 144.44 1ij9 s PRO 120 Ca -0.09 0.66 0.19 0.00 0.04 0.00 0.00 61.00 61.80 1ij9 s PRO 120 Cb -0.08 -3.36 0.83 0.00 0.04 0.00 0.00 34.50 31.94 1ij9 s PRO 120 CO -0.12 0.33 1.60 1.97 0.04 0.00 0.00 177.00 180.83 1ij9 n PHE 121 N 2.91 0.00 1.75 0.56 1.16 -1.26 -2.37 117.46 120.21 1ij9 n PHE 121 Ca -0.07 0.00 0.09 0.00 -1.87 0.00 0.00 57.45 55.60 1ij9 n PHE 121 Cb 0.51 -0.46 0.46 0.00 -1.61 0.00 0.00 39.48 38.38 1ij9 n PHE 121 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 1ij9 n ASP 122 N -1.46 0.52 -0.11 5.98 5.75 -1.25 -2.53 116.55 123.45 1ij9 n ASP 122 Ca 0.05 -1.55 0.05 0.00 -0.01 0.00 0.00 54.79 53.33 1ij9 n ASP 122 Cb 0.21 -0.04 0.07 0.00 -1.03 0.00 0.00 41.12 40.33 1ij9 n ASP 122 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ij9 n ARG 123 N -0.42 1.48 -3.89 0.11 5.12 -1.00 -4.54 116.66 113.51 1ij9 n ARG 123 Ca 0.14 -1.85 -0.37 0.00 -1.93 0.00 0.00 57.85 53.84 1ij9 n ARG 123 Cb 0.14 -1.12 -0.06 0.00 -1.16 0.00 0.00 32.46 30.26 1ij9 n ARG 123 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1ij9 s LEU 124 N -1.65 4.33 -0.05 0.55 2.96 -1.05 0.41 118.68 124.17 1ij9 s LEU 124 Ca 0.15 0.43 0.01 0.00 -0.22 0.00 0.00 54.13 54.50 1ij9 s LEU 124 Cb 0.13 -2.06 0.02 0.00 0.50 0.00 0.00 46.19 44.78 1ij9 s LEU 124 CO 0.01 0.38 -0.05 -0.70 -1.32 0.00 0.00 176.35 174.68 1ij9 s GLU 125 N -0.88 0.92 -0.14 1.98 2.12 0.13 -4.13 118.70 118.71 1ij9 s GLU 125 Ca 0.14 -0.13 0.01 0.00 0.36 0.00 0.00 54.97 55.36 1ij9 s GLU 125 Cb -0.12 -0.92 -0.00 0.00 0.26 0.00 0.00 34.13 33.35 1ij9 s GLU 125 CO 0.03 -0.09 -0.18 0.42 -0.54 0.00 0.00 175.26 174.90 1ij9 s ILE 126 N 0.97 2.46 -0.11 -3.70 1.01 -0.32 0.43 121.20 121.93 1ij9 s ILE 126 Ca -0.10 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.73 1ij9 s ILE 126 Cb -0.14 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.32 1ij9 s ILE 126 CO -0.00 0.53 -0.22 -1.81 0.00 0.00 0.00 174.94 173.44 1ij9 s ASP 127 N 0.64 3.20 -0.19 3.58 1.01 0.11 0.30 116.67 125.33 1ij9 s ASP 127 Ca -0.10 -0.54 -0.04 0.00 0.71 0.00 0.00 52.55 52.58 1ij9 s ASP 127 Cb -0.16 -1.44 -0.02 0.00 1.01 0.00 0.00 42.92 42.31 1ij9 s ASP 127 CO 0.02 0.14 -0.03 -0.22 0.21 0.00 0.00 175.17 175.29 1ij9 s LEU 128 N 0.45 3.10 -0.03 1.23 2.96 0.26 0.20 118.68 126.86 1ij9 s LEU 128 Ca -0.15 -0.25 0.04 0.00 -0.22 0.00 0.00 54.13 53.55 1ij9 s LEU 128 Cb -0.17 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 1ij9 s LEU 128 CO 0.06 0.08 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.26 1ij9 s LEU 129 N 0.91 1.94 -0.44 -0.68 1.02 0.12 -0.69 118.68 120.85 1ij9 s LEU 129 Ca -0.00 -0.29 -0.14 0.00 0.02 0.00 0.00 54.13 53.71 1ij9 s LEU 129 Cb -0.15 -0.83 0.06 0.00 0.02 0.00 0.00 46.19 45.29 1ij9 s LEU 129 CO 0.01 0.15 0.34 -0.75 0.02 0.00 0.00 176.35 176.12 1ij9 s LYS 130 N -0.10 2.91 7.79 1.70 2.20 -0.16 0.25 119.74 134.33 1ij9 s LYS 130 Ca 0.00 -1.26 0.00 0.00 -0.36 0.00 0.00 55.97 54.36 1ij9 s LYS 130 Cb -0.09 -4.01 0.00 0.00 -1.51 0.00 0.00 37.83 32.22 1ij9 s LYS 130 CO 0.01 -0.92 0.00 0.41 -0.36 0.00 0.00 175.35 174.49 1ij9 n GLY 131 N 5.13 3.11 0.53 5.54 0.00 0.16 -1.47 105.19 118.18 1ij9 n GLY 131 Ca -0.12 -0.19 0.09 0.00 0.00 0.00 0.00 46.02 45.81 1ij9 n GLY 131 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ij9 n ASP 132 N 8.28 3.15 -4.68 1.61 5.68 -1.26 -4.79 116.55 124.54 1ij9 n ASP 132 Ca 0.00 -3.07 -0.36 0.00 -0.50 0.00 0.00 54.79 50.86 1ij9 n ASP 132 Cb 0.00 -0.50 -0.09 0.00 -1.14 0.00 0.00 41.12 39.39 1ij9 n ASP 132 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 1ij9 s HIS 133 N -2.87 3.35 -0.29 2.11 2.46 -0.54 -5.05 115.29 114.45 1ij9 s HIS 133 Ca 0.38 0.26 -0.29 0.00 0.47 0.00 0.00 55.06 55.89 1ij9 s HIS 133 Cb 0.32 -2.24 0.01 0.00 -0.13 0.00 0.00 32.58 30.54 1ij9 s HIS 133 CO 0.06 0.14 1.04 -1.17 -2.47 0.00 0.00 174.74 172.34 1ij9 s LEU 134 N 0.84 3.99 -0.06 8.88 2.96 -1.26 -0.98 118.68 133.04 1ij9 s LEU 134 Ca 0.08 1.12 -0.08 0.00 -0.22 0.00 0.00 54.13 55.03 1ij9 s LEU 134 Cb -0.13 -3.50 -0.29 0.00 0.50 0.00 0.00 46.19 42.77 1ij9 s LEU 134 CO 0.03 -0.80 0.59 0.24 -1.32 0.00 0.00 176.35 175.09 1ij9 h MET 135 N 7.90 0.32 -1.72 1.98 2.86 -1.27 -3.48 114.93 121.52 1ij9 h MET 135 Ca -0.20 -0.55 0.03 0.00 -2.06 0.00 0.00 59.70 56.92 1ij9 h MET 135 Cb 1.06 0.20 -0.23 0.00 0.06 0.00 0.00 31.60 32.70 1ij9 h MET 135 CO 1.01 1.23 0.40 0.21 1.06 0.00 0.00 176.91 180.81 1ij9 s LYS 136 N -2.58 0.70 -0.06 1.72 2.20 -1.10 -5.01 119.74 115.61 1ij9 s LYS 136 Ca -0.17 0.39 0.05 0.00 -0.36 0.00 0.00 55.97 55.89 1ij9 s LYS 136 Cb 0.06 0.33 -0.01 0.00 -1.51 0.00 0.00 37.83 36.71 1ij9 s LYS 136 CO 0.83 -0.17 -0.21 0.45 -0.36 0.00 0.00 175.35 175.88 1ij9 s SER 137 N -0.58 2.64 -0.04 1.43 0.15 -1.26 -0.57 113.70 115.47 1ij9 s SER 137 Ca -0.02 -0.44 0.05 0.00 0.70 0.00 0.00 55.95 56.23 1ij9 s SER 137 Cb -0.02 -0.79 -0.01 0.00 -1.71 0.00 0.00 66.02 63.50 1ij9 s SER 137 CO 0.01 0.19 -0.19 -1.58 1.20 0.00 0.00 173.24 172.88 1ij9 s GLN 138 N -0.01 1.86 0.33 5.44 2.00 0.15 -4.97 119.66 124.47 1ij9 s GLN 138 Ca -0.05 -0.67 0.08 0.00 -2.00 0.00 0.00 55.36 52.72 1ij9 s GLN 138 Cb -0.13 -1.64 -0.06 0.00 0.80 0.00 0.00 33.01 31.97 1ij9 s GLN 138 CO 0.03 0.29 -0.05 -1.21 -0.50 0.00 0.00 175.29 173.85 1ij9 s GLU 139 N -0.07 1.74 -0.42 1.67 2.02 -1.26 -1.17 118.70 121.21 1ij9 s GLU 139 Ca -0.02 -1.92 0.02 0.00 0.02 0.00 0.00 54.97 53.08 1ij9 s GLU 139 Cb -0.11 -1.45 0.15 0.00 0.10 0.00 0.00 34.13 32.82 1ij9 s GLU 139 CO 0.02 0.05 0.28 -0.06 0.02 0.00 0.00 175.26 175.57 1ij9 s PHE 140 N -2.81 1.32 0.07 1.61 0.40 -1.26 -5.05 117.98 112.27 1ij9 s PHE 140 Ca 0.32 -2.15 -0.25 0.00 -0.60 0.00 0.00 56.93 54.25 1ij9 s PHE 140 Cb 0.05 -1.26 -0.14 0.00 0.51 0.00 0.00 43.02 42.18 1ij9 s PHE 140 CO 0.15 -0.80 0.59 1.28 0.70 0.00 0.00 175.22 177.14 1ij9 n LEU 141 N 3.40 -0.47 -4.45 -0.37 7.99 -1.26 -3.97 117.00 117.87 1ij9 n LEU 141 Ca 0.17 0.84 -0.16 0.00 -0.01 0.00 0.00 56.01 56.86 1ij9 n LEU 141 Cb 0.40 -0.69 -0.15 0.00 -0.11 0.00 0.00 43.42 42.87 1ij9 n LEU 141 CO 0.15 -1.81 1.66 -0.62 -1.51 0.00 0.00 177.39 175.27 1ij9 n GLU 142 N 0.92 0.14 0.00 3.23 1.02 -1.26 -4.64 120.64 120.05 1ij9 n GLU 142 Ca 0.14 -0.32 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1ij9 n GLU 142 Cb 0.12 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 1ij9 n GLU 142 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1ij9 n ASP 143 N 9.56 0.00 0.00 1.62 2.03 -1.26 -5.13 116.55 123.37 1ij9 n ASP 143 Ca 0.52 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.83 1ij9 n ASP 143 Cb 0.28 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 1ij9 n ASP 143 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ij9 n ALA 144 N 0.00 0.00 0.00 -1.67 0.00 -1.26 -5.04 120.51 112.54 1ij9 n ALA 144 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ij9 n ALA 144 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ij9 n ALA 144 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ij9 n ASP 145 N 0.00 0.00 -3.78 0.00 5.68 -1.26 -5.13 116.55 112.06 1ij9 n ASP 145 Ca 0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 54.79 54.23 1ij9 n ASP 145 Cb 0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 1ij9 n ASP 145 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1ij9 s ARG 146 N 0.00 1.53 -0.61 0.11 1.81 -1.26 -5.12 118.95 115.42 1ij9 s ARG 146 Ca 0.00 -0.83 -0.28 0.00 -1.72 0.00 0.00 55.73 52.90 1ij9 s ARG 146 Cb 0.00 0.54 0.03 0.00 -0.45 0.00 0.00 34.95 35.06 1ij9 s ARG 146 CO 0.00 -0.70 1.24 0.15 -0.68 0.00 0.00 175.30 175.31 1ij9 s LYS 147 N -3.68 3.43 -0.14 3.54 -0.14 -1.26 -4.98 119.74 116.51 1ij9 s LYS 147 Ca 0.10 0.18 -0.20 0.00 -1.36 0.00 0.00 55.97 54.69 1ij9 s LYS 147 Cb -0.04 -4.06 0.05 0.00 -1.68 0.00 0.00 37.83 32.10 1ij9 s LYS 147 CO 0.04 -1.80 0.51 -1.54 -0.76 0.00 0.00 175.35 171.79 1ij9 s SER 148 N 3.28 -0.50 0.01 2.83 1.04 -1.26 -5.05 113.70 114.04 1ij9 s SER 148 Ca 0.42 0.84 -0.30 0.00 0.48 0.00 0.00 55.95 57.39 1ij9 s SER 148 Cb -0.08 0.86 -0.05 0.00 0.10 0.00 0.00 66.02 66.85 1ij9 s SER 148 CO 0.23 -0.30 1.29 -0.76 0.98 0.00 0.00 173.24 174.69 1ij9 s LEU 149 N -0.23 4.32 0.29 2.42 1.02 -1.26 -4.79 118.68 120.45 1ij9 s LEU 149 Ca -0.04 2.02 0.08 0.00 0.02 0.00 0.00 54.13 56.21 1ij9 s LEU 149 Cb -0.03 -3.57 -0.06 0.00 0.02 0.00 0.00 46.19 42.55 1ij9 s LEU 149 CO 0.03 -0.61 -0.10 -1.61 0.02 0.00 0.00 176.35 174.08 1ij9 s GLU 150 N 1.91 1.62 -0.35 1.70 0.41 -1.20 -4.78 118.70 118.01 1ij9 s GLU 150 Ca 0.60 -1.80 0.03 0.00 -0.41 0.00 0.00 54.97 53.39 1ij9 s GLU 150 Cb -0.29 -1.39 0.10 0.00 -1.78 0.00 0.00 34.13 30.77 1ij9 s GLU 150 CO 0.26 0.12 0.09 0.99 -0.49 0.00 0.00 175.26 176.23 1ij9 s THR 151 N -2.83 1.88 0.27 3.63 2.01 -1.26 0.06 115.64 119.40 1ij9 s THR 151 Ca 0.30 -2.18 0.03 0.00 0.31 0.00 0.00 61.69 60.14 1ij9 s THR 151 Cb 0.02 -2.38 -0.03 0.00 0.01 0.00 0.00 72.50 70.11 1ij9 s THR 151 CO 0.13 -0.65 0.43 -0.54 -0.69 0.00 0.00 174.62 173.30 1ij9 s LYS 152 N 0.97 3.47 0.09 4.92 -0.14 -0.78 -4.91 119.74 123.36 1ij9 s LYS 152 Ca 0.11 -0.55 -0.10 0.00 -1.36 0.00 0.00 55.97 54.08 1ij9 s LYS 152 Cb -0.19 -2.80 0.01 0.00 -1.68 0.00 0.00 37.83 33.16 1ij9 s LYS 152 CO -0.12 0.32 0.23 -1.54 -0.76 0.00 0.00 175.35 173.49 1ij9 s SER 153 N -3.89 0.04 -0.06 2.83 1.04 -1.26 -1.06 113.70 111.35 1ij9 s SER 153 Ca 0.37 -0.57 0.03 0.00 0.48 0.00 0.00 55.95 56.26 1ij9 s SER 153 Cb -0.09 0.36 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 1ij9 s SER 153 CO 0.32 -0.75 -0.14 -0.22 0.98 0.00 0.00 173.24 173.43 1ij9 s LEU 154 N -2.81 2.75 -0.04 2.42 0.20 0.23 -4.97 118.68 116.46 1ij9 s LEU 154 Ca 0.04 -0.20 0.01 0.00 0.69 0.00 0.00 54.13 54.67 1ij9 s LEU 154 Cb 0.04 -1.57 0.02 0.00 -0.43 0.00 0.00 46.19 44.26 1ij9 s LEU 154 CO -0.11 0.33 -0.04 -0.70 -0.29 0.00 0.00 176.35 175.54 1ij9 s GLU 155 N -0.62 0.79 0.01 1.98 2.12 -1.26 -0.15 118.70 121.57 1ij9 s GLU 155 Ca 0.09 -0.09 -0.05 0.00 0.36 0.00 0.00 54.97 55.27 1ij9 s GLU 155 Cb -0.11 -0.80 -0.01 0.00 0.26 0.00 0.00 34.13 33.47 1ij9 s GLU 155 CO 0.01 -0.08 0.09 0.54 -0.54 0.00 0.00 175.26 175.28 1ij9 s VAL 156 N 0.91 0.10 -0.02 3.70 0.11 -0.53 -5.02 120.40 119.64 1ij9 s VAL 156 Ca -0.11 -0.83 0.08 0.00 -2.93 0.00 0.00 61.98 58.19 1ij9 s VAL 156 Cb -0.14 -0.50 -0.02 0.00 -1.53 0.00 0.00 36.38 34.19 1ij9 s VAL 156 CO 0.00 -0.46 -0.26 -0.89 -3.33 0.00 0.00 175.10 170.17 1ij9 s THR 157 N -1.68 2.04 0.08 5.04 2.01 -1.26 -0.39 115.64 121.48 1ij9 s THR 157 Ca -0.13 -1.10 -0.24 0.00 0.31 0.00 0.00 61.69 60.53 1ij9 s THR 157 Cb -0.07 -1.70 0.06 0.00 0.01 0.00 0.00 72.50 70.81 1ij9 s THR 157 CO -0.00 0.58 0.59 0.72 -0.69 0.00 0.00 174.62 175.81 1ij9 s PHE 158 N -0.56 -0.52 -0.34 4.92 -0.71 -0.67 -4.98 117.98 115.13 1ij9 s PHE 158 Ca 0.08 0.54 -0.15 0.00 -1.04 0.00 0.00 56.93 56.36 1ij9 s PHE 158 Cb -0.10 0.45 -0.01 0.00 -1.21 0.00 0.00 43.02 42.14 1ij9 s PHE 158 CO -0.00 -0.73 0.37 0.99 -1.34 0.00 0.00 175.22 174.50 1ij9 s THR 159 N -2.80 5.16 0.63 -4.49 2.01 -1.26 -1.22 115.64 113.67 1ij9 s THR 159 Ca -0.03 0.11 -0.16 0.00 0.31 0.00 0.00 61.69 61.92 1ij9 s THR 159 Cb -0.01 -3.82 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 1ij9 s THR 159 CO -0.05 -0.07 1.12 -2.84 -0.69 0.00 0.00 174.62 172.09 1ij9 s PRO 160 N 2.04 2.92 0.14 4.92 0.02 -1.26 -4.83 135.00 138.96 1ij9 s PRO 160 Ca 0.12 1.48 0.02 0.00 0.02 0.00 0.00 61.00 62.65 1ij9 s PRO 160 Cb -0.16 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.35 1ij9 s PRO 160 CO 0.12 -1.17 -0.03 0.14 -0.33 0.00 0.00 177.00 175.72 1ij9 s VAL 161 N -2.15 0.73 0.56 3.83 -7.23 -1.26 -0.85 120.40 114.03 1ij9 s VAL 161 Ca 0.69 -1.97 0.30 0.00 -1.81 0.00 0.00 61.98 59.19 1ij9 s VAL 161 Cb -0.22 -1.94 0.43 0.00 0.56 0.00 0.00 36.38 35.21 1ij9 s VAL 161 CO 0.38 -0.64 1.88 0.40 -0.31 0.00 0.00 175.10 176.81 1ij9 h ILE 162 N 2.80 0.46 0.00 -0.62 5.03 -1.97 0.11 117.51 123.32 1ij9 h ILE 162 Ca -0.36 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.38 1ij9 h ILE 162 Cb 1.19 0.58 0.00 0.00 -3.03 0.00 0.00 36.82 35.56 1ij9 h ILE 162 CO 0.63 0.00 0.00 -0.62 -0.68 0.00 0.00 178.15 177.48 1ij9 n GLU 163 N -4.00 0.16 0.17 2.37 4.71 -1.26 -3.07 120.64 119.72 1ij9 n GLU 163 Ca 0.14 0.19 0.13 0.00 -0.01 0.00 0.00 57.16 57.60 1ij9 n GLU 163 Cb 0.83 -1.71 0.31 0.00 -1.01 0.00 0.00 31.44 29.85 1ij9 n GLU 163 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1ij9 h ASP 164 N 0.00 0.00 -2.37 1.62 3.32 -1.18 -3.45 116.42 114.36 1ij9 h ASP 164 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 1ij9 h ASP 164 Cb 0.58 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.19 1ij9 h ASP 164 CO 0.00 0.00 0.88 0.00 -1.72 0.00 0.00 179.24 178.40 1ij9 n ILE 165 N -2.73 0.04 0.00 0.35 3.06 -1.18 -1.31 119.36 117.60 1ij9 n ILE 165 Ca 0.04 -0.01 0.00 0.00 -2.50 0.00 0.00 62.75 60.29 1ij9 n ILE 165 Cb 0.46 -1.69 0.00 0.00 0.54 0.00 0.00 39.64 38.95 1ij9 n ILE 165 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1ij9 n GLY 166 N 3.64 3.18 3.81 4.50 0.00 -1.04 -5.03 105.19 114.24 1ij9 n GLY 166 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1ij9 n GLY 166 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ij9 s LYS 167 N -0.46 3.52 -0.10 1.61 1.02 -0.43 -4.76 119.74 120.15 1ij9 s LYS 167 Ca 0.00 1.15 -0.02 0.00 0.02 0.00 0.00 55.97 57.12 1ij9 s LYS 167 Cb 0.00 -2.06 -0.03 0.00 -0.52 0.00 0.00 37.83 35.21 1ij9 s LYS 167 CO 0.00 -0.64 -0.01 0.14 -0.92 0.00 0.00 175.35 173.92 1ij9 s VAL 168 N -2.46 4.20 -0.27 3.17 -7.23 -1.26 -0.85 120.40 115.70 1ij9 s VAL 168 Ca 0.63 -0.28 -0.22 0.00 -1.81 0.00 0.00 61.98 60.30 1ij9 s VAL 168 Cb -0.14 -2.78 -0.01 0.00 0.56 0.00 0.00 36.38 34.00 1ij9 s VAL 168 CO 0.34 0.58 0.69 -0.76 -0.31 0.00 0.00 175.10 175.64 1ij9 s LEU 169 N -0.59 4.08 -0.17 1.32 1.43 0.21 -0.67 118.68 124.30 1ij9 s LEU 169 Ca 0.10 0.71 0.01 0.00 -1.03 0.00 0.00 54.13 53.91 1ij9 s LEU 169 Cb -0.12 -2.94 0.01 0.00 0.03 0.00 0.00 46.19 43.17 1ij9 s LEU 169 CO 0.02 -0.46 -0.20 0.54 0.23 0.00 0.00 176.35 176.49 1ij9 s VAL 170 N 2.66 2.17 -0.26 -1.59 0.11 0.14 -0.46 120.40 123.17 1ij9 s VAL 170 Ca 0.28 -0.92 -0.07 0.00 -2.93 0.00 0.00 61.98 58.35 1ij9 s VAL 170 Cb -0.15 -1.90 -0.02 0.00 -1.53 0.00 0.00 36.38 32.78 1ij9 s VAL 170 CO 0.10 0.54 0.07 0.00 -3.33 0.00 0.00 175.10 172.47 1ij9 s ARG 172 N 1.58 3.41 -0.20 0.00 3.52 0.13 -1.53 118.95 125.87 1ij9 s ARG 172 Ca 0.06 -0.65 -0.05 0.00 -0.13 0.00 0.00 55.73 54.95 1ij9 s ARG 172 Cb -0.15 -2.74 -0.02 0.00 -1.56 0.00 0.00 34.95 30.47 1ij9 s ARG 172 CO 0.03 0.12 -0.00 0.00 -0.81 0.00 0.00 175.30 174.64 1ij9 s ALA 173 N 0.60 3.02 -0.11 6.12 0.00 0.70 0.08 121.76 132.16 1ij9 s ALA 173 Ca -0.06 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 50.94 1ij9 s ALA 173 Cb -0.15 -1.75 0.01 0.00 0.00 0.00 0.00 23.12 21.22 1ij9 s ALA 173 CO 0.03 -0.14 -0.20 0.15 0.00 0.00 0.00 175.76 175.60 1ij9 s LYS 174 N 0.98 2.67 -0.38 0.00 1.02 0.17 -1.63 119.74 122.57 1ij9 s LYS 174 Ca 0.01 -0.74 -0.10 0.00 0.02 0.00 0.00 55.97 55.17 1ij9 s LYS 174 Cb -0.14 -2.15 0.04 0.00 -0.52 0.00 0.00 37.83 35.06 1ij9 s LYS 174 CO 0.02 0.03 0.21 -1.17 -0.92 0.00 0.00 175.35 173.51 1ij9 s LEU 175 N 0.73 4.77 -1.11 3.17 2.96 0.19 0.21 118.68 129.60 1ij9 s LEU 175 Ca -0.11 -1.15 -0.20 0.00 -0.22 0.00 0.00 54.13 52.46 1ij9 s LEU 175 Cb -0.16 -1.99 0.08 0.00 0.50 0.00 0.00 46.19 44.62 1ij9 s LEU 175 CO 0.02 -0.42 1.50 -1.00 -1.32 0.00 0.00 176.35 175.12 1ij9 s HIS 176 N 1.50 2.77 0.39 5.38 3.76 0.17 -4.78 115.29 124.47 1ij9 s HIS 176 Ca 0.02 -1.28 0.04 0.00 -0.15 0.00 0.00 55.06 53.69 1ij9 s HIS 176 Cb -0.20 -4.63 -0.04 0.00 1.11 0.00 0.00 32.58 28.82 1ij9 s HIS 176 CO 0.05 -1.79 0.07 0.96 -0.85 0.00 0.00 174.74 173.18 1ij9 s ILE 177 N 4.14 1.04 -1.43 0.60 -4.36 -1.26 -4.85 121.20 115.08 1ij9 s ILE 177 Ca 0.46 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.75 1ij9 s ILE 177 Cb 0.00 -2.57 0.06 0.00 1.25 0.00 0.00 42.46 41.20 1ij9 s ILE 177 CO -0.03 0.00 2.35 -0.67 0.24 0.00 0.00 174.94 176.83 1ij9 n ASP 178 N -1.01 6.26 -0.90 4.36 2.03 -1.26 -4.98 116.55 121.06 1ij9 n ASP 178 Ca -0.06 -2.91 -0.10 0.00 0.52 0.00 0.00 54.79 52.24 1ij9 n ASP 178 Cb 0.66 -1.53 -0.01 0.00 -0.72 0.00 0.00 41.12 39.53 1ij9 n ASP 178 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1ij9 n GLU 179 N 3.99 0.00 -2.72 -0.67 0.00 -1.26 -4.89 120.64 115.09 1ij9 n GLU 179 Ca 0.58 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 57.33 1ij9 n GLU 179 Cb 0.31 -0.20 0.01 0.00 0.00 0.00 0.00 31.44 31.56 1ij9 n GLU 179 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.13 177.01 1ij9 n MET 180 N 0.20 5.17 0.00 5.31 0.00 -1.26 -4.99 117.12 121.56 1ij9 n MET 180 Ca 0.04 -4.66 0.00 0.00 -0.00 0.00 0.00 57.70 53.07 1ij9 n MET 180 Cb 0.05 -2.46 0.00 0.00 0.00 0.00 0.00 33.22 30.81 1ij9 n MET 180 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1ij9 n ASP 181 N 0.16 0.00 0.01 6.12 9.92 -1.26 -2.34 116.55 129.16 1ij9 n ASP 181 Ca 0.43 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.80 1ij9 n ASP 181 Cb 0.28 0.00 0.47 0.00 -0.64 0.00 0.00 41.12 41.23 1ij9 n ASP 181 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1ij9 n SER 182 N 2.94 0.09 -4.66 -2.24 7.64 -1.26 -4.81 113.62 111.32 1ij9 n SER 182 Ca 0.00 0.52 -0.42 0.00 1.01 0.00 0.00 58.87 59.97 1ij9 n SER 182 Cb 0.00 -0.54 -0.03 0.00 -1.01 0.00 0.00 64.21 62.63 1ij9 n SER 182 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ij9 s VAL 183 N -3.03 3.37 0.41 0.44 1.01 -0.99 -4.96 120.40 116.65 1ij9 s VAL 183 Ca 0.10 0.46 -0.26 0.00 0.00 0.00 0.00 61.98 62.28 1ij9 s VAL 183 Cb 0.14 -3.30 -0.10 0.00 0.00 0.00 0.00 36.38 33.12 1ij9 s VAL 183 CO 0.41 -0.04 1.34 -2.65 0.00 0.00 0.00 175.10 174.16 1ij9 n PRO 184 N 7.21 2.15 0.00 2.72 -0.02 -1.26 -4.57 135.00 141.23 1ij9 n PRO 184 Ca 0.18 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1ij9 n PRO 184 Cb 0.42 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 1ij9 n PRO 184 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1ij9 n THR 185 N -0.01 0.00 -4.02 3.45 5.66 -1.26 -4.97 114.28 113.12 1ij9 n THR 185 Ca 0.05 -0.18 -0.18 0.00 -3.05 0.00 0.00 64.05 60.70 1ij9 n THR 185 Cb 0.39 0.78 -0.16 0.00 -1.55 0.00 0.00 70.33 69.80 1ij9 n THR 185 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1ij9 s VAL 186 N -0.64 0.31 0.03 1.08 1.01 -1.26 -0.64 120.40 120.29 1ij9 s VAL 186 Ca 0.00 -0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.00 1ij9 s VAL 186 Cb 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 1ij9 s VAL 186 CO 0.00 0.17 -0.09 -0.13 0.00 0.00 0.00 175.10 175.05 1ij9 s ARG 187 N 0.89 0.63 0.09 2.72 0.52 -0.65 -5.01 118.95 118.15 1ij9 s ARG 187 Ca -0.10 -0.59 -0.11 0.00 -0.52 0.00 0.00 55.73 54.41 1ij9 s ARG 187 Cb -0.13 -0.53 0.01 0.00 0.52 0.00 0.00 34.95 34.82 1ij9 s ARG 187 CO -0.01 0.13 0.25 1.14 0.02 0.00 0.00 175.30 176.83 1ij9 s GLN 188 N -1.02 0.89 0.04 3.54 -2.07 -1.26 -0.22 119.66 119.57 1ij9 s GLN 188 Ca -0.03 -0.85 0.04 0.00 -1.82 0.00 0.00 55.36 52.70 1ij9 s GLN 188 Cb -0.07 0.37 -0.02 0.00 -1.09 0.00 0.00 33.01 32.20 1ij9 s GLN 188 CO 0.00 -0.30 -0.13 0.00 -1.32 0.00 0.00 175.29 173.55 1ij9 s ALA 189 N -3.70 1.05 0.20 2.60 0.00 -0.58 -4.71 121.76 116.62 1ij9 s ALA 189 Ca 0.03 -0.81 0.10 0.00 0.00 0.00 0.00 51.96 51.28 1ij9 s ALA 189 Cb 0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 1ij9 s ALA 189 CO -0.10 0.17 -0.20 0.08 0.00 0.00 0.00 175.76 175.70 1ij9 s VAL 190 N -0.95 2.15 -0.22 0.00 1.01 -1.26 -1.12 120.40 120.00 1ij9 s VAL 190 Ca -0.01 -2.09 -0.05 0.00 0.00 0.00 0.00 61.98 59.83 1ij9 s VAL 190 Cb -0.08 -2.06 0.11 0.00 0.00 0.00 0.00 36.38 34.35 1ij9 s VAL 190 CO 0.01 -0.29 0.42 -0.75 0.00 0.00 0.00 175.10 174.49 1ij9 s LYS 191 N -2.98 0.34 0.10 2.72 2.47 0.39 -4.96 119.74 117.83 1ij9 s LYS 191 Ca 0.21 0.89 -0.30 0.00 -1.56 0.00 0.00 55.97 55.21 1ij9 s LYS 191 Cb -0.06 0.10 -0.06 0.00 -1.46 0.00 0.00 37.83 36.35 1ij9 s LYS 191 CO 0.10 -0.38 1.15 -1.21 0.16 0.00 0.00 175.35 175.16 1ij9 s GLU 192 N 2.61 4.50 -0.13 4.03 2.02 -1.26 0.66 118.70 131.12 1ij9 s GLU 192 Ca 0.03 1.73 -0.28 0.00 0.02 0.00 0.00 54.97 56.48 1ij9 s GLU 192 Cb -0.13 -3.33 -0.01 0.00 0.10 0.00 0.00 34.13 30.76 1ij9 s GLU 192 CO -0.14 -0.13 0.94 -0.51 0.02 0.00 0.00 175.26 175.45 1ij9 s LEU 193 N 0.52 4.21 -0.72 1.80 1.43 -0.03 -4.92 118.68 120.98 1ij9 s LEU 193 Ca 0.55 1.39 0.04 0.00 -1.03 0.00 0.00 54.13 55.08 1ij9 s LEU 193 Cb -0.29 -3.43 0.17 0.00 0.03 0.00 0.00 46.19 42.67 1ij9 s LEU 193 CO 0.31 -0.44 0.53 -1.10 0.23 0.00 0.00 176.35 175.88 1ij9 s GLN 194 N 2.11 2.57 0.41 1.70 -0.21 -1.26 -2.50 119.66 122.48 1ij9 s GLN 194 Ca 0.44 -3.28 -0.23 0.00 0.02 0.00 0.00 55.36 52.32 1ij9 s GLN 194 Cb -0.17 -3.51 -0.09 0.00 1.00 0.00 0.00 33.01 30.23 1ij9 s GLN 194 CO 0.15 -1.27 1.02 0.08 -2.12 0.00 0.00 175.29 173.15 1ij9 s VAL 195 N -1.34 3.89 0.00 1.09 1.01 -1.26 -4.53 120.40 119.26 1ij9 s VAL 195 Ca 0.25 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.59 1ij9 s VAL 195 Cb -0.07 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1ij9 s VAL 195 CO -0.15 -0.08 0.39 -1.22 0.00 0.00 0.00 175.10 174.05