#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u9r s HIS 8 N 0.00 1.07 0.24 -1.77 -3.43 -1.26 -5.11 115.29 105.02 1u9r s HIS 8 Ca 0.00 -0.26 -0.24 0.00 -0.80 0.00 0.00 55.06 53.76 1u9r s HIS 8 Cb 0.00 -0.66 -0.09 0.00 -1.43 0.00 0.00 32.58 30.40 1u9r s HIS 8 CO 0.00 -0.00 0.82 0.15 -2.00 0.00 0.00 174.74 173.71 1u9r s LYS 9 N -0.65 4.48 0.08 -0.38 1.02 -1.26 -4.50 119.74 118.53 1u9r s LYS 9 Ca 0.03 1.13 0.08 0.00 0.02 0.00 0.00 55.97 57.22 1u9r s LYS 9 Cb -0.06 -2.98 -0.03 0.00 -0.52 0.00 0.00 37.83 34.24 1u9r s LYS 9 CO 0.00 0.42 -0.21 -1.21 -0.92 0.00 0.00 175.35 173.43 1u9r s GLU 10 N -1.72 1.23 0.60 1.68 2.02 -0.06 -4.94 118.70 117.51 1u9r s GLU 10 Ca 0.43 -1.08 -0.16 0.00 0.02 0.00 0.00 54.97 54.18 1u9r s GLU 10 Cb -0.20 -1.44 -0.03 0.00 0.10 0.00 0.00 34.13 32.56 1u9r s GLU 10 CO 0.24 0.35 1.07 -1.25 0.02 0.00 0.00 175.26 175.69 1u9r s PRO 11 N -1.62 3.26 0.16 0.39 0.04 -1.26 -0.59 135.00 135.38 1u9r s PRO 11 Ca 0.07 1.27 -0.18 0.00 0.04 0.00 0.00 61.00 62.19 1u9r s PRO 11 Cb -0.10 -2.02 0.04 0.00 0.04 0.00 0.00 34.50 32.47 1u9r s PRO 11 CO 0.03 -0.86 0.50 0.00 0.04 0.00 0.00 177.00 176.71 1u9r s ALA 12 N -2.37 -1.11 -0.07 8.56 0.00 -0.86 -4.64 121.76 121.28 1u9r s ALA 12 Ca 0.65 0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.67 1u9r s ALA 12 Cb -0.17 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.75 1u9r s ALA 12 CO 0.36 -0.74 -0.19 0.99 0.00 0.00 0.00 175.76 176.19 1u9r s THR 13 N -3.82 1.61 0.22 0.00 2.01 -0.89 -4.11 115.64 110.66 1u9r s THR 13 Ca 0.05 -0.78 -0.30 0.00 0.31 0.00 0.00 61.69 60.96 1u9r s THR 13 Cb 0.00 -1.40 -0.10 0.00 0.01 0.00 0.00 72.50 71.02 1u9r s THR 13 CO -0.09 0.46 1.40 -0.22 -0.69 0.00 0.00 174.62 175.48 1u9r s LEU 14 N 0.28 4.39 -0.13 4.42 1.98 -1.26 -0.14 118.68 128.22 1u9r s LEU 14 Ca -0.11 2.56 -0.05 0.00 -2.89 0.00 0.00 54.13 53.64 1u9r s LEU 14 Cb -0.15 -3.62 -0.06 0.00 0.66 0.00 0.00 46.19 43.03 1u9r s LEU 14 CO 0.05 -0.65 -0.16 -0.38 -1.89 0.00 0.00 176.35 173.32 1u9r n ILE 15 N 2.61 0.70 -3.64 6.68 5.41 -0.22 -4.84 119.36 126.06 1u9r n ILE 15 Ca 0.07 -0.19 -0.04 0.00 1.00 0.00 0.00 62.75 63.59 1u9r n ILE 15 Cb 0.41 -1.54 -0.07 0.00 -0.71 0.00 0.00 39.64 37.73 1u9r n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1u9r s LYS 16 N -2.24 0.47 -0.07 0.38 2.20 -0.94 -5.02 119.74 114.53 1u9r s LYS 16 Ca -0.18 0.77 -0.27 0.00 -0.36 0.00 0.00 55.97 55.93 1u9r s LYS 16 Cb 0.06 0.11 -0.03 0.00 -1.51 0.00 0.00 37.83 36.47 1u9r s LYS 16 CO 0.23 -0.09 0.88 0.00 -0.36 0.00 0.00 175.35 176.01 1u9r s ALA 17 N 1.27 3.31 -0.23 3.13 0.00 -1.26 -0.53 121.76 127.45 1u9r s ALA 17 Ca -0.08 0.30 -0.07 0.00 0.00 0.00 0.00 51.96 52.11 1u9r s ALA 17 Cb -0.04 -3.22 -0.18 0.00 0.00 0.00 0.00 23.12 19.68 1u9r s ALA 17 CO -0.15 -0.33 -0.09 -0.89 0.00 0.00 0.00 175.76 174.30 1u9r n ILE 18 N 4.12 1.57 -3.57 0.00 5.41 -1.04 -4.95 119.36 120.90 1u9r n ILE 18 Ca 0.04 -0.47 0.00 0.00 1.00 0.00 0.00 62.75 63.32 1u9r n ILE 18 Cb 0.50 -1.69 0.00 0.00 -0.71 0.00 0.00 39.64 37.74 1u9r n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1u9r n ASP 19 N -3.73 0.00 -0.20 4.38 3.85 -1.01 -4.99 116.55 114.85 1u9r n ASP 19 Ca -0.44 -0.84 0.01 0.00 -0.71 0.00 0.00 54.79 52.81 1u9r n ASP 19 Cb 0.93 0.00 0.10 0.00 -1.35 0.00 0.00 41.12 40.80 1u9r n ASP 19 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 1u9r h GLY 20 N 0.00 0.65 -1.38 6.12 0.00 -1.82 -3.16 103.07 103.47 1u9r h GLY 20 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1u9r h GLY 20 CO 0.00 -0.20 -0.17 2.09 0.00 0.00 0.00 176.54 178.26 1u9r n ASP 21 N -5.29 2.41 -3.99 0.19 3.85 -1.26 -4.89 116.55 107.58 1u9r n ASP 21 Ca 0.09 -1.71 -0.16 0.00 -0.71 0.00 0.00 54.79 52.31 1u9r n ASP 21 Cb 0.35 0.19 -0.14 0.00 -1.35 0.00 0.00 41.12 40.18 1u9r n ASP 21 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 1u9r s THR 22 N -1.96 0.48 -0.02 2.12 -4.23 -1.20 -0.93 115.64 109.90 1u9r s THR 22 Ca 0.21 -0.39 -0.06 0.00 -1.18 0.00 0.00 61.69 60.27 1u9r s THR 22 Cb 0.17 -0.43 0.00 0.00 1.34 0.00 0.00 72.50 73.59 1u9r s THR 22 CO 0.36 0.04 0.12 0.54 -0.54 0.00 0.00 174.62 175.15 1u9r s VAL 23 N -0.35 0.05 -0.23 2.29 0.11 -0.60 -2.40 120.40 119.27 1u9r s VAL 23 Ca 0.00 -0.41 -0.12 0.00 -2.93 0.00 0.00 61.98 58.52 1u9r s VAL 23 Cb -0.04 -0.32 -0.05 0.00 -1.53 0.00 0.00 36.38 34.45 1u9r s VAL 23 CO -0.00 -0.23 0.20 -0.75 -3.33 0.00 0.00 175.10 171.00 1u9r s LYS 24 N -0.76 4.11 0.13 1.54 2.20 0.31 -0.45 119.74 126.82 1u9r s LYS 24 Ca -0.08 -0.17 0.06 0.00 -0.36 0.00 0.00 55.97 55.41 1u9r s LYS 24 Cb -0.05 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 1u9r s LYS 24 CO 0.01 0.07 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.43 1u9r s LEU 25 N 1.02 2.45 -0.40 5.43 1.02 0.16 -1.05 118.68 127.31 1u9r s LEU 25 Ca 0.10 -0.88 -0.19 0.00 0.02 0.00 0.00 54.13 53.18 1u9r s LEU 25 Cb -0.13 -0.49 0.01 0.00 0.02 0.00 0.00 46.19 45.60 1u9r s LEU 25 CO 0.04 -0.21 0.55 -0.32 0.02 0.00 0.00 176.35 176.43 1u9r s MET 26 N -3.05 3.36 -0.15 1.70 -2.45 0.80 -0.04 119.30 119.46 1u9r s MET 26 Ca 0.12 -0.39 0.02 0.00 -1.25 0.00 0.00 55.69 54.19 1u9r s MET 26 Cb -0.02 -3.90 0.02 0.00 1.25 0.00 0.00 34.83 32.17 1u9r s MET 26 CO 0.03 -0.84 -0.20 -0.47 1.05 0.00 0.00 175.02 174.59 1u9r s TYR 27 N 2.50 2.58 -1.45 4.11 5.04 0.26 -2.10 117.35 128.29 1u9r s TYR 27 Ca 0.19 -1.40 -0.04 0.00 -2.44 0.00 0.00 57.07 53.37 1u9r s TYR 27 Cb -0.15 -1.79 0.03 0.00 0.35 0.00 0.00 41.96 40.40 1u9r s TYR 27 CO 0.16 -0.68 0.59 1.63 -1.34 0.00 0.00 175.55 175.90 1u9r n LYS 28 N 4.36 -3.82 -0.04 4.97 5.02 -1.26 -1.95 118.16 125.43 1u9r n LYS 28 Ca -0.20 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1u9r n LYS 28 Cb 0.51 -4.84 0.00 0.00 -0.02 0.00 0.00 35.03 30.68 1u9r n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u9r n GLY 29 N -1.79 2.02 3.12 0.72 0.00 -1.26 -5.03 105.19 102.96 1u9r n GLY 29 Ca -0.21 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 1u9r n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1u9r s GLN 30 N -0.30 0.76 0.39 1.61 -2.07 -0.82 -5.10 119.66 114.12 1u9r s GLN 30 Ca 0.00 -0.77 -0.26 0.00 -1.82 0.00 0.00 55.36 52.51 1u9r s GLN 30 Cb 0.00 -0.71 -0.09 0.00 -1.09 0.00 0.00 33.01 31.12 1u9r s GLN 30 CO 0.00 0.17 1.24 -1.25 -1.32 0.00 0.00 175.29 174.13 1u9r s PRO 31 N -1.32 4.07 -0.20 9.60 0.04 -1.26 -0.58 135.00 145.35 1u9r s PRO 31 Ca -0.02 2.02 -0.22 0.00 0.04 0.00 0.00 61.00 62.82 1u9r s PRO 31 Cb -0.08 -2.78 0.06 0.00 0.04 0.00 0.00 34.50 31.74 1u9r s PRO 31 CO 0.01 -0.36 0.61 1.41 0.04 0.00 0.00 177.00 178.71 1u9r s MET 32 N -2.18 0.75 -0.09 4.56 1.75 0.94 -4.87 119.30 120.16 1u9r s MET 32 Ca 0.56 0.73 -0.18 0.00 -1.25 0.00 0.00 55.69 55.54 1u9r s MET 32 Cb -0.35 0.36 -0.04 0.00 2.84 0.00 0.00 34.83 37.64 1u9r s MET 32 CO 0.45 -0.12 0.50 0.99 -0.65 0.00 0.00 175.02 176.19 1u9r s THR 33 N 0.07 5.13 0.02 10.11 2.01 -1.26 -0.66 115.64 131.05 1u9r s THR 33 Ca -0.02 1.01 0.06 0.00 0.31 0.00 0.00 61.69 63.05 1u9r s THR 33 Cb -0.04 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 1u9r s THR 33 CO 0.02 0.36 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.79 1u9r s PHE 34 N 0.37 2.63 -0.19 4.92 0.40 0.40 -0.75 117.98 125.77 1u9r s PHE 34 Ca 0.27 -0.21 -0.02 0.00 -0.60 0.00 0.00 56.93 56.37 1u9r s PHE 34 Cb -0.16 -1.52 -0.01 0.00 0.51 0.00 0.00 43.02 41.85 1u9r s PHE 34 CO 0.12 0.25 -0.09 0.50 0.70 0.00 0.00 175.22 176.71 1u9r s ARG 35 N -1.30 3.34 0.07 0.44 6.06 0.15 -1.55 118.95 126.16 1u9r s ARG 35 Ca 0.14 -0.66 -0.31 0.00 -2.50 0.00 0.00 55.73 52.40 1u9r s ARG 35 Cb -0.11 -2.84 -0.08 0.00 0.06 0.00 0.00 34.95 31.97 1u9r s ARG 35 CO 0.05 -0.07 1.69 -0.51 -2.50 0.00 0.00 175.30 173.96 1u9r s LEU 36 N 1.10 4.37 0.49 -0.88 1.02 -0.10 -2.83 118.68 121.84 1u9r s LEU 36 Ca 0.01 2.52 -0.23 0.00 0.02 0.00 0.00 54.13 56.45 1u9r s LEU 36 Cb -0.15 -3.56 -0.06 0.00 0.02 0.00 0.00 46.19 42.44 1u9r s LEU 36 CO -0.02 -0.91 1.25 -0.76 0.02 0.00 0.00 176.35 175.93 1u9r s LEU 37 N 2.81 3.96 -1.39 1.79 1.43 -0.41 -3.78 118.68 123.09 1u9r s LEU 37 Ca 0.76 2.51 0.00 0.00 -1.03 0.00 0.00 54.13 56.37 1u9r s LEU 37 Cb -0.41 -4.23 0.00 0.00 0.03 0.00 0.00 46.19 41.59 1u9r s LEU 37 CO 0.33 -1.17 0.00 0.18 0.23 0.00 0.00 176.35 175.92 1u9r n LEU 38 N -0.65 -0.74 -4.22 1.79 4.77 -1.26 -4.94 117.00 111.75 1u9r n LEU 38 Ca 0.08 0.32 -0.24 0.00 -0.03 0.00 0.00 56.01 56.15 1u9r n LEU 38 Cb 0.46 -2.41 -0.14 0.00 -2.33 0.00 0.00 43.42 39.01 1u9r n LEU 38 CO 0.50 -0.90 -0.51 0.68 -1.33 0.00 0.00 177.39 175.84 1u9r s VAL 39 N -2.07 1.51 -0.28 4.08 -7.23 -1.25 -1.02 120.40 114.15 1u9r s VAL 39 Ca 0.00 -1.15 0.02 0.00 -1.81 0.00 0.00 61.98 59.03 1u9r s VAL 39 Cb 0.00 -1.33 0.08 0.00 0.56 0.00 0.00 36.38 35.69 1u9r s VAL 39 CO 0.00 0.14 -0.02 -1.81 -0.31 0.00 0.00 175.10 173.10 1u9r s ASP 40 N -1.19 4.25 0.09 4.85 1.11 0.03 -4.70 116.67 121.11 1u9r s ASP 40 Ca 0.06 -1.54 0.02 0.00 0.18 0.00 0.00 52.55 51.27 1u9r s ASP 40 Cb -0.09 -1.34 -0.04 0.00 1.07 0.00 0.00 42.92 42.52 1u9r s ASP 40 CO 0.02 -0.29 0.13 0.42 1.18 0.00 0.00 175.17 176.64 1u9r s THR 41 N 1.23 4.80 0.27 -1.27 -4.23 -1.26 -1.66 115.64 113.51 1u9r s THR 41 Ca -0.00 -0.70 -0.30 0.00 -1.18 0.00 0.00 61.69 59.50 1u9r s THR 41 Cb -0.19 -3.35 -0.11 0.00 1.34 0.00 0.00 72.50 70.18 1u9r s THR 41 CO -0.09 0.08 1.62 -2.84 -0.54 0.00 0.00 174.62 172.86 1u9r s PRO 42 N -2.57 4.13 0.50 3.99 0.02 -1.26 -4.93 135.00 134.87 1u9r s PRO 42 Ca 0.31 2.58 -0.21 0.00 0.02 0.00 0.00 61.00 63.70 1u9r s PRO 42 Cb -0.12 -3.04 -0.07 0.00 0.02 0.00 0.00 34.50 31.29 1u9r s PRO 42 CO 0.24 -0.66 1.12 -1.21 -0.33 0.00 0.00 177.00 176.16 1u9r s GLU 43 N -0.05 3.60 -0.65 5.54 0.41 -1.26 -4.35 118.70 121.93 1u9r s GLU 43 Ca 0.66 1.61 -0.14 0.00 -0.41 0.00 0.00 54.97 56.69 1u9r s GLU 43 Cb -0.48 -2.16 0.16 0.00 -1.78 0.00 0.00 34.13 29.87 1u9r s GLU 43 CO 0.44 -0.65 0.58 0.99 -0.49 0.00 0.00 175.26 176.13 1u9r s THR 44 N -1.74 5.15 -0.27 3.63 2.01 -1.26 -1.10 115.64 122.06 1u9r s THR 44 Ca 0.68 -1.99 -0.02 0.00 0.31 0.00 0.00 61.69 60.67 1u9r s THR 44 Cb -0.24 -4.26 0.12 0.00 0.01 0.00 0.00 72.50 68.13 1u9r s THR 44 CO 0.28 -0.92 0.24 -0.69 -0.69 0.00 0.00 174.62 172.83 1u9r s VAL 51 N 0.92 -0.30 1.00 3.82 1.01 -1.26 -5.11 120.40 120.48 1u9r s VAL 51 Ca 0.10 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 1u9r s VAL 51 Cb -0.21 -0.90 0.19 0.00 0.00 0.00 0.00 36.38 35.45 1u9r s VAL 51 CO -0.02 -0.46 1.08 -1.61 0.00 0.00 0.00 175.10 174.09 1u9r s GLU 52 N 2.29 0.44 0.14 2.72 2.02 -0.26 -4.91 118.70 121.15 1u9r s GLU 52 Ca 0.09 0.91 -0.31 0.00 0.02 0.00 0.00 54.97 55.67 1u9r s GLU 52 Cb -0.15 -1.71 -0.09 0.00 0.10 0.00 0.00 34.13 32.28 1u9r s GLU 52 CO -0.28 -2.83 1.53 0.21 0.02 0.00 0.00 175.26 173.91 1u9r s LYS 53 N -4.74 4.24 0.00 1.61 2.47 -1.26 -1.85 119.74 120.20 1u9r s LYS 53 Ca 0.66 2.29 0.00 0.00 -1.56 0.00 0.00 55.97 57.36 1u9r s LYS 53 Cb -0.21 -3.21 0.00 0.00 -1.46 0.00 0.00 37.83 32.95 1u9r s LYS 53 CO 0.60 -0.58 0.00 0.66 0.16 0.00 0.00 175.35 176.19 1u9r n TYR 54 N 4.10 0.00 0.13 4.03 4.01 -1.26 -4.75 117.16 123.42 1u9r n TYR 54 Ca 0.13 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.74 1u9r n TYR 54 Cb 0.40 -0.41 -0.08 0.00 -0.31 0.00 0.00 39.34 38.94 1u9r n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1u9r h GLY 55 N 0.00 -0.28 2.00 2.72 0.00 -1.56 -0.49 103.07 105.46 1u9r h GLY 55 Ca 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 47.33 47.37 1u9r h GLY 55 CO 0.00 -0.10 -0.31 -0.56 0.00 0.00 0.00 176.54 175.57 1u9r h PRO 56 N -0.32 0.00 -0.09 4.80 0.13 -1.87 -1.78 132.00 132.87 1u9r h PRO 56 Ca -0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 1u9r h PRO 56 Cb 0.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.37 1u9r h PRO 56 CO 0.04 0.31 0.02 0.93 -0.23 0.00 0.00 178.00 179.08 1u9r h GLU 57 N 0.00 0.14 -0.52 0.86 3.07 -1.88 -0.82 114.58 115.44 1u9r h GLU 57 Ca -0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1u9r h GLU 57 Cb 0.56 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.42 1u9r h GLU 57 CO 0.04 0.34 0.33 0.00 -1.40 0.00 0.00 179.01 178.33 1u9r h ALA 58 N 0.80 0.66 -0.31 3.43 0.00 -0.90 -0.91 119.26 122.02 1u9r h ALA 58 Ca 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1u9r h ALA 58 Cb 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1u9r h ALA 58 CO 0.00 0.11 0.15 0.77 0.00 0.00 0.00 179.25 180.29 1u9r h SER 59 N 0.70 0.40 -0.45 0.00 0.02 -1.23 -1.78 113.55 111.20 1u9r h SER 59 Ca 0.19 -0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 1u9r h SER 59 Cb -0.06 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 1u9r h SER 59 CO -0.04 0.40 0.04 0.00 -1.14 0.00 0.00 176.83 176.09 1u9r h ALA 60 N 1.02 1.10 0.59 3.77 0.00 -0.99 -0.74 119.26 124.02 1u9r h ALA 60 Ca 0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1u9r h ALA 60 Cb 0.10 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1u9r h ALA 60 CO -0.01 0.58 -0.29 0.35 0.00 0.00 0.00 179.25 179.88 1u9r h PHE 61 N 0.79 -0.74 -0.47 0.00 3.57 -0.93 -0.25 116.94 118.91 1u9r h PHE 61 Ca 0.16 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.68 1u9r h PHE 61 Cb 0.42 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 1u9r h PHE 61 CO 0.02 -0.45 0.23 1.15 -2.23 0.00 0.00 178.31 177.04 1u9r h THR 62 N -0.83 0.96 -0.17 4.41 2.02 -1.23 -1.67 112.91 116.40 1u9r h THR 62 Ca -0.08 -0.16 0.02 0.00 0.77 0.00 0.00 66.41 66.96 1u9r h THR 62 Cb 0.62 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1u9r h THR 62 CO 0.13 0.08 0.03 0.50 0.37 0.00 0.00 175.52 176.64 1u9r h LYS 63 N 0.46 0.10 -0.66 6.66 3.64 -1.02 -0.75 116.57 125.01 1u9r h LYS 63 Ca 0.20 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 1u9r h LYS 63 Cb 0.11 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1u9r h LYS 63 CO -0.14 0.07 0.27 -0.22 -2.27 0.00 0.00 179.45 177.15 1u9r h LYS 64 N 0.10 0.98 -0.71 1.90 3.64 -0.82 -0.07 116.57 121.59 1u9r h LYS 64 Ca 0.07 -0.17 -0.07 0.00 -1.27 0.00 0.00 60.65 59.21 1u9r h LYS 64 Cb 0.07 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 1u9r h LYS 64 CO -0.10 0.82 0.17 1.98 -2.27 0.00 0.00 179.45 180.05 1u9r h MET 65 N 0.93 1.14 0.05 1.90 4.05 -1.04 -2.63 114.93 119.32 1u9r h MET 65 Ca 0.22 -0.27 -0.16 0.00 -0.28 0.00 0.00 59.70 59.21 1u9r h MET 65 Cb 0.19 -0.15 0.02 0.00 -0.80 0.00 0.00 31.60 30.86 1u9r h MET 65 CO -0.02 1.00 -0.66 0.93 0.23 0.00 0.00 176.91 178.39 1u9r h GLU 66 N 1.08 0.35 0.00 0.39 5.08 -0.94 -3.18 114.58 117.36 1u9r h GLU 66 Ca 0.22 -0.45 -0.08 0.00 -1.00 0.00 0.00 59.36 58.05 1u9r h GLU 66 Cb 0.38 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1u9r h GLU 66 CO 0.00 1.15 -0.38 0.93 -1.00 0.00 0.00 179.01 179.71 1u9r h GLU 67 N -0.23 0.00 -0.00 2.33 5.08 -1.05 -3.06 114.58 117.64 1u9r h GLU 67 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1u9r h GLU 67 Cb 1.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1u9r h GLU 67 CO 0.13 0.38 -0.41 0.09 -1.00 0.00 0.00 179.01 178.19 1u9r n ASN 68 N -4.01 0.55 -4.77 1.42 5.03 -0.99 -4.93 115.26 107.55 1u9r n ASN 68 Ca -0.02 -0.32 -0.37 0.00 0.87 0.00 0.00 54.58 54.75 1u9r n ASN 68 Cb 0.42 0.17 -0.01 0.00 -1.02 0.00 0.00 39.78 39.34 1u9r n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1u9r s ALA 69 N -2.90 2.95 -0.02 5.41 0.00 -1.16 -4.96 121.76 121.08 1u9r s ALA 69 Ca 0.14 0.86 -0.10 0.00 0.00 0.00 0.00 51.96 52.86 1u9r s ALA 69 Cb 0.18 -3.35 -0.31 0.00 0.00 0.00 0.00 23.12 19.64 1u9r s ALA 69 CO 0.65 -0.58 0.76 0.87 0.00 0.00 0.00 175.76 177.47 1u9r h LYS 70 N 1.98 0.39 -4.57 0.00 1.57 -1.92 -3.46 116.57 110.57 1u9r h LYS 70 Ca -0.49 -0.67 -0.45 0.00 -1.87 0.00 0.00 60.65 57.16 1u9r h LYS 70 Cb 1.24 0.25 -0.32 0.00 0.08 0.00 0.00 32.23 33.49 1u9r h LYS 70 CO 0.60 1.30 -0.79 0.15 -0.57 0.00 0.00 179.45 180.14 1u9r s LYS 71 N -2.59 1.13 -0.08 3.15 1.02 -1.26 -5.03 119.74 116.09 1u9r s LYS 71 Ca -0.13 -0.32 0.04 0.00 0.02 0.00 0.00 55.97 55.57 1u9r s LYS 71 Cb 0.05 -1.03 -0.01 0.00 -0.52 0.00 0.00 37.83 36.32 1u9r s LYS 71 CO 0.87 0.09 -0.19 0.42 -0.92 0.00 0.00 175.35 175.62 1u9r s ILE 72 N 0.34 2.59 0.05 2.17 -1.09 -1.26 -0.76 121.20 123.25 1u9r s ILE 72 Ca -0.06 -0.86 0.04 0.00 -2.23 0.00 0.00 60.65 57.54 1u9r s ILE 72 Cb -0.11 -2.01 -0.02 0.00 -1.58 0.00 0.00 42.46 38.74 1u9r s ILE 72 CO 0.01 0.56 -0.12 -1.61 -1.23 0.00 0.00 174.94 172.55 1u9r s GLU 73 N -0.13 0.75 -0.03 2.79 2.02 -0.34 -2.02 118.70 121.74 1u9r s GLU 73 Ca -0.03 -0.81 0.05 0.00 0.02 0.00 0.00 54.97 54.21 1u9r s GLU 73 Cb -0.14 -0.69 -0.02 0.00 0.10 0.00 0.00 34.13 33.38 1u9r s GLU 73 CO 0.04 0.16 -0.18 0.14 0.02 0.00 0.00 175.26 175.43 1u9r s VAL 74 N -1.12 2.74 -0.19 2.63 -7.23 0.24 -0.56 120.40 116.91 1u9r s VAL 74 Ca -0.03 -0.88 -0.02 0.00 -1.81 0.00 0.00 61.98 59.24 1u9r s VAL 74 Cb -0.09 -2.05 0.06 0.00 0.56 0.00 0.00 36.38 34.86 1u9r s VAL 74 CO 0.01 0.56 0.01 -0.70 -0.31 0.00 0.00 175.10 174.67 1u9r s GLU 75 N -0.77 0.91 0.48 4.82 2.12 -0.12 -0.88 118.70 125.27 1u9r s GLU 75 Ca 0.11 -0.51 -0.19 0.00 0.36 0.00 0.00 54.97 54.75 1u9r s GLU 75 Cb -0.10 -2.13 -0.09 0.00 0.26 0.00 0.00 34.13 32.07 1u9r s GLU 75 CO 0.01 -0.59 0.98 -0.06 -0.54 0.00 0.00 175.26 175.05 1u9r s PHE 76 N 1.75 3.31 0.00 5.30 0.40 -1.26 -1.01 117.98 126.47 1u9r s PHE 76 Ca -0.01 1.54 0.00 0.00 -0.60 0.00 0.00 56.93 57.86 1u9r s PHE 76 Cb -0.17 -2.86 0.00 0.00 0.51 0.00 0.00 43.02 40.50 1u9r s PHE 76 CO -0.07 -0.37 0.00 -3.47 0.70 0.00 0.00 175.22 172.01 1u9r n ASP 77 N -1.17 0.00 -0.17 1.36 -0.08 -1.26 -4.73 116.55 110.50 1u9r n ASP 77 Ca 0.07 -0.80 0.13 0.00 -1.51 0.00 0.00 54.79 52.69 1u9r n ASP 77 Cb 0.54 0.00 0.42 0.00 2.34 0.00 0.00 41.12 44.41 1u9r n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1u9r n LYS 78 N -0.80 0.63 0.00 -0.67 2.85 -1.26 -4.90 118.16 114.01 1u9r n LYS 78 Ca 0.00 -0.33 0.00 0.00 -1.05 0.00 0.00 58.31 56.93 1u9r n LYS 78 Cb 0.00 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 32.89 1u9r n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1u9r n GLY 79 N 1.36 1.56 3.76 2.58 0.00 -1.25 -4.95 105.19 108.24 1u9r n GLY 79 Ca 0.11 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 1u9r n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u9r s GLN 80 N 2.83 4.20 0.01 1.61 -0.21 -1.19 -4.93 119.66 121.98 1u9r s GLN 80 Ca 0.00 2.44 0.25 0.00 0.02 0.00 0.00 55.36 58.07 1u9r s GLN 80 Cb 0.00 -3.05 0.52 0.00 1.00 0.00 0.00 33.01 31.49 1u9r s GLN 80 CO 0.00 -0.49 1.43 0.54 -2.12 0.00 0.00 175.29 174.65 1u9r n ARG 81 N 1.73 0.04 -3.88 2.91 5.12 -1.26 -4.80 116.66 116.53 1u9r n ARG 81 Ca 0.05 0.01 -0.11 0.00 -1.93 0.00 0.00 57.85 55.87 1u9r n ARG 81 Cb 0.39 -1.52 -0.12 0.00 -1.16 0.00 0.00 32.46 30.05 1u9r n ARG 81 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1u9r s THR 82 N -3.02 0.05 0.57 0.55 -4.23 -1.26 -0.35 115.64 107.94 1u9r s THR 82 Ca 0.11 -0.39 -0.05 0.00 -1.18 0.00 0.00 61.69 60.17 1u9r s THR 82 Cb 0.17 -0.26 0.12 0.00 1.34 0.00 0.00 72.50 73.88 1u9r s THR 82 CO 0.69 -0.22 0.78 -0.90 -0.54 0.00 0.00 174.62 174.43 1u9r n ASP 83 N 2.26 0.52 0.32 3.99 5.68 -0.33 -4.93 116.55 124.07 1u9r n ASP 83 Ca -0.18 -1.56 0.20 0.00 -0.50 0.00 0.00 54.79 52.75 1u9r n ASP 83 Cb 0.57 -0.55 1.06 0.00 -1.14 0.00 0.00 41.12 41.07 1u9r n ASP 83 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1u9r h LYS 84 N 0.00 0.00 -0.58 0.11 2.10 -2.02 -2.14 116.57 114.04 1u9r h LYS 84 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 1u9r h LYS 84 Cb 0.81 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 1u9r h LYS 84 CO 0.22 0.01 0.00 0.66 -2.00 0.00 0.00 179.45 178.34 1u9r n TYR 85 N -3.23 0.88 -0.94 0.07 4.02 -1.26 -4.92 117.16 111.77 1u9r n TYR 85 Ca -0.02 -0.40 0.00 0.00 -0.01 0.00 0.00 57.90 57.47 1u9r n TYR 85 Cb 0.12 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.37 1u9r n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1u9r n GLY 86 N 1.21 0.72 3.78 2.72 0.00 -0.80 -5.03 105.19 107.78 1u9r n GLY 86 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1u9r n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u9r s ARG 87 N -0.06 4.51 0.31 1.61 0.52 -1.26 -4.78 118.95 119.80 1u9r s ARG 87 Ca 0.00 1.10 -0.28 0.00 -0.52 0.00 0.00 55.73 56.02 1u9r s ARG 87 Cb 0.00 -3.27 -0.09 0.00 0.52 0.00 0.00 34.95 32.11 1u9r s ARG 87 CO 0.00 0.56 1.11 0.20 0.02 0.00 0.00 175.30 177.19 1u9r s GLY 88 N -1.06 3.01 -0.35 -3.53 0.00 0.07 -1.18 107.32 104.28 1u9r s GLY 88 Ca 0.35 0.90 -0.10 0.00 0.00 0.00 0.00 44.72 45.87 1u9r s GLY 88 CO 0.25 1.48 0.17 1.08 0.00 0.00 0.00 173.10 176.08 1u9r s LEU 89 N -1.69 4.49 0.29 0.66 1.43 0.52 0.34 118.68 124.73 1u9r s LEU 89 Ca 0.47 -0.93 -0.15 0.00 -1.03 0.00 0.00 54.13 52.49 1u9r s LEU 89 Cb -0.31 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 43.94 1u9r s LEU 89 CO 0.40 -0.33 0.61 0.00 0.23 0.00 0.00 176.35 177.26 1u9r s ALA 90 N 1.53 -0.55 -0.14 4.21 0.00 -1.13 -4.32 121.76 121.35 1u9r s ALA 90 Ca 0.02 -0.73 -0.12 0.00 0.00 0.00 0.00 51.96 51.13 1u9r s ALA 90 Cb -0.19 0.94 -0.05 0.00 0.00 0.00 0.00 23.12 23.83 1u9r s ALA 90 CO 0.06 -0.93 0.25 0.71 0.00 0.00 0.00 175.76 175.84 1u9r s TYR 91 N -3.62 3.51 -0.11 0.00 2.02 -0.18 -1.29 117.35 117.67 1u9r s TYR 91 Ca 0.18 0.58 -0.01 0.00 -0.37 0.00 0.00 57.07 57.46 1u9r s TYR 91 Cb -0.03 -2.23 -0.03 0.00 -0.40 0.00 0.00 41.96 39.27 1u9r s TYR 91 CO 0.10 0.39 -0.07 0.42 -1.57 0.00 0.00 175.55 174.81 1u9r s ILE 92 N -0.00 3.63 -0.07 2.71 -1.09 -1.26 -0.94 121.20 124.17 1u9r s ILE 92 Ca 0.16 -0.48 0.03 0.00 -2.23 0.00 0.00 60.65 58.13 1u9r s ILE 92 Cb -0.13 -2.53 -0.02 0.00 -1.58 0.00 0.00 42.46 38.20 1u9r s ILE 92 CO 0.04 0.55 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.82 1u9r s TYR 93 N -0.20 2.65 -0.24 3.97 2.02 0.27 0.19 117.35 126.02 1u9r s TYR 93 Ca 0.02 -0.43 0.02 0.00 -0.37 0.00 0.00 57.07 56.31 1u9r s TYR 93 Cb -0.13 -1.67 0.04 0.00 -0.40 0.00 0.00 41.96 39.80 1u9r s TYR 93 CO 0.03 -0.02 -0.12 0.00 -1.57 0.00 0.00 175.55 173.87 1u9r s ALA 94 N -0.30 2.55 -1.49 3.71 0.00 0.83 -1.19 121.76 125.86 1u9r s ALA 94 Ca 0.02 -1.59 -0.07 0.00 0.00 0.00 0.00 51.96 50.32 1u9r s ALA 94 Cb -0.13 -1.53 0.05 0.00 0.00 0.00 0.00 23.12 21.52 1u9r s ALA 94 CO 0.03 -0.94 0.61 -0.25 0.00 0.00 0.00 175.76 175.20 1u9r n ASP 95 N 4.52 -1.74 0.00 0.00 10.43 0.06 -0.62 116.55 129.21 1u9r n ASP 95 Ca -0.16 -0.96 0.00 0.00 2.57 0.00 0.00 54.79 56.24 1u9r n ASP 95 Cb 0.45 -3.16 0.00 0.00 1.84 0.00 0.00 41.12 40.25 1u9r n ASP 95 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1u9r n GLY 96 N -1.76 2.73 3.67 0.44 0.00 -1.26 -5.01 105.19 104.00 1u9r n GLY 96 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 1u9r n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u9r s LYS 97 N -0.15 4.15 -0.10 1.61 3.01 0.21 -5.02 119.74 123.43 1u9r s LYS 97 Ca 0.00 0.08 -0.30 0.00 -1.01 0.00 0.00 55.97 54.75 1u9r s LYS 97 Cb 0.00 -3.54 -0.03 0.00 -1.01 0.00 0.00 37.83 33.25 1u9r s LYS 97 CO 0.00 -0.02 1.41 1.41 0.51 0.00 0.00 175.35 178.67 1u9r s MET 98 N 1.25 4.22 0.25 1.68 1.75 -1.26 -0.12 119.30 127.07 1u9r s MET 98 Ca 0.16 1.88 -0.04 0.00 -1.25 0.00 0.00 55.69 56.44 1u9r s MET 98 Cb -0.14 -3.81 0.28 0.00 2.84 0.00 0.00 34.83 33.99 1u9r s MET 98 CO 0.07 -0.73 1.77 0.28 -0.65 0.00 0.00 175.02 175.76 1u9r h VAL 99 N 5.44 1.24 -0.41 10.11 2.07 -0.62 -2.00 116.25 132.09 1u9r h VAL 99 Ca -0.32 -0.93 0.06 0.00 0.82 0.00 0.00 66.70 66.33 1u9r h VAL 99 Cb 1.14 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 1u9r h VAL 99 CO 0.95 0.34 0.13 0.78 0.02 0.00 0.00 177.57 179.79 1u9r h ASN 100 N 0.89 0.11 -0.29 0.57 4.21 -1.91 -1.85 115.58 117.30 1u9r h ASN 100 Ca 0.19 0.05 -0.06 0.00 1.21 0.00 0.00 56.30 57.69 1u9r h ASN 100 Cb 0.37 0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.61 1u9r h ASN 100 CO 0.01 0.10 -0.07 -0.08 -1.29 0.00 0.00 177.43 176.09 1u9r h GLU 101 N 0.28 0.56 -0.57 0.81 4.81 -1.86 -3.04 114.58 115.56 1u9r h GLU 101 Ca 0.19 -0.21 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1u9r h GLU 101 Cb 0.20 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 1u9r h GLU 101 CO -0.22 0.75 0.29 0.00 -0.73 0.00 0.00 179.01 179.11 1u9r h ALA 102 N 0.79 0.73 -0.19 2.92 0.00 -1.13 -0.10 119.26 122.27 1u9r h ALA 102 Ca 0.07 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1u9r h ALA 102 Cb 0.55 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1u9r h ALA 102 CO 0.03 -0.06 0.02 -0.07 0.00 0.00 0.00 179.25 179.17 1u9r h LEU 103 N 0.55 -0.02 -0.29 0.00 3.38 -1.34 -0.56 115.31 117.03 1u9r h LEU 103 Ca 0.25 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 1u9r h LEU 103 Cb 0.17 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1u9r h LEU 103 CO -0.18 0.02 0.06 0.58 0.09 0.00 0.00 178.44 179.01 1u9r h VAL 104 N 0.09 1.22 -0.50 1.22 2.07 -1.36 0.13 116.25 119.13 1u9r h VAL 104 Ca 0.09 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1u9r h VAL 104 Cb 0.09 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1u9r h VAL 104 CO -0.13 0.25 0.26 -0.09 0.02 0.00 0.00 177.57 177.88 1u9r h ARG 105 N 0.30 0.68 -0.00 1.57 9.65 -0.81 0.20 114.38 125.97 1u9r h ARG 105 Ca 0.09 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1u9r h ARG 105 Cb 0.31 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.75 1u9r h ARG 105 CO 0.00 0.51 -0.01 0.94 2.80 0.00 0.00 179.97 184.22 1u9r n GLN 106 N -4.40 0.81 -1.79 0.20 -0.06 -0.24 -4.43 117.38 107.47 1u9r n GLN 106 Ca 0.04 -0.06 -0.06 0.00 -2.00 0.00 0.00 57.00 54.92 1u9r n GLN 106 Cb 0.11 -1.50 -0.01 0.00 -4.06 0.00 0.00 30.24 24.78 1u9r n GLN 106 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1u9r n GLY 107 N 1.13 0.37 1.09 1.69 0.00 0.06 -4.53 105.19 104.99 1u9r n GLY 107 Ca 0.20 -0.69 0.08 0.00 0.00 0.00 0.00 46.02 45.61 1u9r n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u9r n LEU 108 N -0.79 3.80 -3.54 0.99 4.77 0.42 -2.31 117.00 120.34 1u9r n LEU 108 Ca -0.07 -2.27 -0.09 0.00 -0.03 0.00 0.00 56.01 53.56 1u9r n LEU 108 Cb 0.43 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1u9r n LEU 108 CO 0.08 0.80 0.76 0.00 -1.33 0.00 0.00 177.39 177.70 1u9r s ALA 109 N -1.50 -1.89 0.22 -1.18 0.00 -1.21 -4.46 121.76 111.74 1u9r s ALA 109 Ca 0.39 1.28 0.08 0.00 0.00 0.00 0.00 51.96 53.71 1u9r s ALA 109 Cb 0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 1u9r s ALA 109 CO 0.21 -0.55 0.03 0.15 0.00 0.00 0.00 175.76 175.60 1u9r s LYS 110 N -2.38 2.46 -0.04 0.00 1.02 -0.67 -4.42 119.74 115.71 1u9r s LYS 110 Ca 0.03 -1.20 -0.30 0.00 0.02 0.00 0.00 55.97 54.53 1u9r s LYS 110 Cb -0.01 -2.33 -0.03 0.00 -0.52 0.00 0.00 37.83 34.94 1u9r s LYS 110 CO -0.05 0.42 1.13 0.08 -0.92 0.00 0.00 175.35 176.01 1u9r s VAL 111 N -1.99 4.42 0.69 3.17 1.01 -1.26 -0.79 120.40 125.66 1u9r s VAL 111 Ca 0.30 1.73 -0.07 0.00 0.00 0.00 0.00 61.98 63.94 1u9r s VAL 111 Cb -0.08 -4.11 0.05 0.00 0.00 0.00 0.00 36.38 32.24 1u9r s VAL 111 CO 0.20 0.04 1.01 0.00 0.00 0.00 0.00 175.10 176.34 1u9r s ALA 112 N 1.85 3.16 0.41 5.51 0.00 -0.18 -4.85 121.76 127.66 1u9r s ALA 112 Ca 0.54 -0.89 -0.25 0.00 0.00 0.00 0.00 51.96 51.37 1u9r s ALA 112 Cb -0.23 -2.61 -0.08 0.00 0.00 0.00 0.00 23.12 20.19 1u9r s ALA 112 CO 0.23 -1.25 1.16 0.71 0.00 0.00 0.00 175.76 176.61 1u9r s TYR 113 N -3.23 3.05 0.43 0.00 1.51 -1.26 -4.83 117.35 113.02 1u9r s TYR 113 Ca 0.59 1.56 -0.25 0.00 -1.01 0.00 0.00 57.07 57.96 1u9r s TYR 113 Cb -0.11 -3.37 -0.10 0.00 -0.11 0.00 0.00 41.96 38.27 1u9r s TYR 113 CO 0.45 -1.31 1.18 1.55 -1.11 0.00 0.00 175.55 176.31 1u9r n VAL 114 N -0.02 2.64 -3.97 0.71 3.14 -1.26 -4.86 118.33 114.70 1u9r n VAL 114 Ca 0.05 -0.50 -0.30 0.00 -2.96 0.00 0.00 64.34 60.63 1u9r n VAL 114 Cb 0.47 -1.42 -0.16 0.00 -1.06 0.00 0.00 33.84 31.67 1u9r n VAL 114 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 1u9r s TYR 115 N -1.24 2.22 -1.54 1.45 5.04 -1.26 -4.86 117.35 117.16 1u9r s TYR 115 Ca 0.63 -1.42 -0.11 0.00 -2.44 0.00 0.00 57.07 53.72 1u9r s TYR 115 Cb -0.52 -1.56 0.08 0.00 0.35 0.00 0.00 41.96 40.32 1u9r s TYR 115 CO 0.57 -0.70 0.78 1.63 -1.34 0.00 0.00 175.55 176.48 1u9r n LYS 116 N 4.74 -4.23 -0.86 4.97 4.76 -1.26 -1.92 118.16 124.36 1u9r n LYS 116 Ca -0.14 0.49 0.00 0.00 -2.87 0.00 0.00 58.31 55.78 1u9r n LYS 116 Cb 0.47 -5.13 0.00 0.00 -1.84 0.00 0.00 35.03 28.53 1u9r n LYS 116 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1u9r n GLY 117 N -1.64 0.72 3.44 0.72 0.00 -1.26 -3.19 105.19 103.98 1u9r n GLY 117 Ca -0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.53 1u9r n GLY 117 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1u9r s ASN 118 N -2.42 6.89 -0.01 1.61 0.01 -0.81 -3.95 114.94 116.28 1u9r s ASN 118 Ca 0.00 -2.64 0.01 0.00 -0.71 0.00 0.00 52.86 49.53 1u9r s ASN 118 Cb 0.00 -2.38 0.02 0.00 0.41 0.00 0.00 41.25 39.30 1u9r s ASN 118 CO 0.00 -0.83 0.80 -0.46 -1.51 0.00 0.00 177.10 175.10 1u9r n ASN 119 N 5.73 0.32 -0.31 -1.22 0.23 -1.26 -4.23 115.26 114.51 1u9r n ASN 119 Ca 0.30 -1.66 0.13 0.00 -0.53 0.00 0.00 54.58 52.82 1u9r n ASN 119 Cb 0.45 -0.12 0.31 0.00 -2.08 0.00 0.00 39.78 38.35 1u9r n ASN 119 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1u9r h THR 120 N 4.28 0.53 -0.50 5.53 2.02 -2.02 -1.82 112.91 120.94 1u9r h THR 120 Ca 0.00 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1u9r h THR 120 Cb 1.14 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1u9r h THR 120 CO 0.00 0.09 0.00 1.41 0.37 0.00 0.00 175.52 177.39 1u9r n HIS 121 N -4.98 1.46 -0.35 3.16 8.25 -1.26 -4.64 115.22 116.87 1u9r n HIS 121 Ca 0.22 -0.71 0.01 0.00 -0.26 0.00 0.00 57.72 56.98 1u9r n HIS 121 Cb 0.64 -0.33 0.17 0.00 1.12 0.00 0.00 29.99 31.58 1u9r n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1u9r h GLU 122 N 3.31 1.18 -0.30 -0.41 4.81 -1.68 -1.87 114.58 119.61 1u9r h GLU 122 Ca 0.00 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.05 1u9r h GLU 122 Cb 1.57 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 1u9r h GLU 122 CO 0.30 0.78 -0.24 1.96 -0.73 0.00 0.00 179.01 181.08 1u9r h GLN 123 N 1.21 0.70 -0.56 1.92 1.08 -1.82 -0.24 115.11 117.40 1u9r h GLN 123 Ca 0.39 -0.34 0.06 0.00 -1.45 0.00 0.00 58.65 57.30 1u9r h GLN 123 Cb 0.02 -0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.40 1u9r h GLN 123 CO -0.12 0.95 0.27 1.25 -0.95 0.00 0.00 178.83 180.23 1u9r h LEU 124 N 0.45 0.36 -0.65 1.46 5.85 -1.82 -1.38 115.31 119.58 1u9r h LEU 124 Ca 0.06 0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.67 1u9r h LEU 124 Cb 0.79 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1u9r h LEU 124 CO 0.06 0.24 -0.54 -0.07 -0.34 0.00 0.00 178.44 177.79 1u9r h LEU 125 N 0.51 0.40 -0.62 2.25 3.38 -1.25 -2.59 115.31 117.39 1u9r h LEU 125 Ca 0.26 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1u9r h LEU 125 Cb 0.20 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1u9r h LEU 125 CO -0.20 0.87 0.18 0.03 0.09 0.00 0.00 178.44 179.40 1u9r h ARG 126 N 0.28 0.98 -0.55 1.13 -0.00 -0.41 -1.43 114.38 114.38 1u9r h ARG 126 Ca 0.00 -0.22 -0.11 0.00 -0.50 0.00 0.00 59.98 59.15 1u9r h ARG 126 Cb 1.04 -0.14 -0.02 0.00 0.00 0.00 0.00 29.97 30.86 1u9r h ARG 126 CO 0.09 0.88 -0.11 0.87 0.00 0.00 0.00 179.97 181.70 1u9r h LYS 127 N 0.90 1.04 -0.67 0.04 1.57 -1.22 -1.28 116.57 116.96 1u9r h LYS 127 Ca 0.20 -0.39 -0.05 0.00 -1.87 0.00 0.00 60.65 58.55 1u9r h LYS 127 Cb 0.32 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 1u9r h LYS 127 CO -0.00 1.08 0.23 0.00 -0.57 0.00 0.00 179.45 180.19 1u9r h ALA 128 N 0.93 1.14 -0.48 3.86 0.00 -1.27 -2.24 119.26 121.19 1u9r h ALA 128 Ca 0.14 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1u9r h ALA 128 Cb 0.68 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1u9r h ALA 128 CO 0.05 0.60 -0.14 1.49 0.00 0.00 0.00 179.25 181.25 1u9r h GLU 129 N 0.99 0.92 -0.82 0.00 4.81 -0.97 -1.79 114.58 117.72 1u9r h GLU 129 Ca 0.22 -0.34 -0.03 0.00 -0.13 0.00 0.00 59.36 59.08 1u9r h GLU 129 Cb 0.25 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 1u9r h GLU 129 CO -0.01 1.00 0.38 0.00 -0.73 0.00 0.00 179.01 179.65 1u9r h ALA 130 N 1.01 1.13 -0.41 2.92 0.00 -0.88 -0.93 119.26 122.12 1u9r h ALA 130 Ca 0.12 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1u9r h ALA 130 Cb 0.68 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1u9r h ALA 130 CO 0.05 0.65 -0.14 0.37 0.00 0.00 0.00 179.25 180.18 1u9r h GLN 131 N 1.17 0.81 -0.47 0.00 5.75 -1.21 -0.72 115.11 120.44 1u9r h GLN 131 Ca 0.28 -0.33 -0.05 0.00 -0.15 0.00 0.00 58.65 58.40 1u9r h GLN 131 Cb 0.13 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 1u9r h GLN 131 CO -0.03 0.96 0.11 0.00 -2.65 0.00 0.00 178.83 177.21 1u9r h ALA 132 N 0.83 1.30 -0.22 3.38 0.00 -1.01 -0.89 119.26 122.66 1u9r h ALA 132 Ca 0.10 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1u9r h ALA 132 Cb 0.68 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1u9r h ALA 132 CO 0.05 0.49 -0.09 -0.22 0.00 0.00 0.00 179.25 179.48 1u9r h LYS 133 N 0.70 0.45 -0.17 0.00 3.64 -0.96 -0.85 116.57 119.37 1u9r h LYS 133 Ca 0.16 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1u9r h LYS 133 Cb 0.27 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1u9r h LYS 133 CO -0.00 0.71 0.04 0.87 -2.27 0.00 0.00 179.45 178.81 1u9r h LYS 134 N 0.16 0.24 -0.01 1.90 1.57 -0.73 -0.67 116.57 119.04 1u9r h LYS 134 Ca 0.05 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1u9r h LYS 134 Cb 0.57 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1u9r h LYS 134 CO 0.03 0.23 -0.14 0.39 -0.57 0.00 0.00 179.45 179.39 1u9r n GLU 135 N -4.43 1.11 -3.83 3.15 1.02 -0.37 -4.95 120.64 112.34 1u9r n GLU 135 Ca -0.00 -0.60 -0.25 0.00 -0.02 0.00 0.00 57.16 56.29 1u9r n GLU 135 Cb 0.14 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.08 1u9r n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1u9r n LYS 136 N -0.42 -4.57 -2.96 3.49 5.02 -0.26 -4.93 118.16 113.52 1u9r n LYS 136 Ca 0.15 0.55 -0.40 0.00 -2.02 0.00 0.00 58.31 56.60 1u9r n LYS 136 Cb 0.33 -5.08 -0.05 0.00 -0.02 0.00 0.00 35.03 30.21 1u9r n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1u9r s LEU 137 N -6.90 4.45 0.00 -0.35 1.43 -0.71 -3.82 118.68 112.77 1u9r s LEU 137 Ca 0.18 1.47 0.00 0.00 -1.03 0.00 0.00 54.13 54.75 1u9r s LEU 137 Cb -0.09 -3.26 0.00 0.00 0.03 0.00 0.00 46.19 42.87 1u9r s LEU 137 CO 0.84 0.00 0.00 0.59 0.23 0.00 0.00 176.35 178.01 1u9r n ASN 138 N 2.83 0.00 -0.34 2.29 3.02 -1.26 -0.55 115.26 121.25 1u9r n ASN 138 Ca -0.02 0.00 0.30 0.00 -0.03 0.00 0.00 54.58 54.83 1u9r n ASN 138 Cb 0.50 0.00 0.64 0.00 -0.61 0.00 0.00 39.78 40.31 1u9r n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1u9r h ILE 139 N 0.00 0.42 -0.28 2.41 2.04 -1.80 0.94 117.51 121.24 1u9r h ILE 139 Ca 0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1u9r h ILE 139 Cb 0.00 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1u9r h ILE 139 CO 0.00 0.03 0.00 0.79 0.00 0.00 0.00 178.15 178.97 1u9r n TRP 140 N -4.41 0.53 0.77 1.37 7.02 0.28 -5.15 117.44 117.86 1u9r n TRP 140 Ca 0.27 -0.23 0.06 0.00 -1.02 0.00 0.00 57.50 56.58 1u9r n TRP 140 Cb 1.12 -0.08 0.37 0.00 -2.42 0.00 0.00 31.31 30.30 1u9r n TRP 140 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10