#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u9c s SER 2 N 0.00 5.11 0.72 6.12 1.04 -1.26 -4.98 113.70 120.45 1u9c s SER 2 Ca 0.00 2.54 -0.15 0.00 0.48 0.00 0.00 55.95 58.82 1u9c s SER 2 Cb 0.00 -2.61 0.03 0.00 0.10 0.00 0.00 66.02 63.54 1u9c s SER 2 CO 0.00 -1.66 1.22 -0.54 0.98 0.00 0.00 173.24 173.24 1u9c s LYS 3 N -3.19 2.20 -0.07 4.02 -0.14 -1.26 -4.76 119.74 116.53 1u9c s LYS 3 Ca 0.77 1.80 0.04 0.00 -1.36 0.00 0.00 55.97 57.22 1u9c s LYS 3 Cb -0.35 -1.84 0.00 0.00 -1.68 0.00 0.00 37.83 33.97 1u9c s LYS 3 CO 0.38 -1.80 -0.19 1.03 -0.76 0.00 0.00 175.35 174.02 1u9c s ARG 4 N -3.83 2.29 -0.10 1.68 0.52 -1.26 -1.19 118.95 117.06 1u9c s ARG 4 Ca 0.75 -0.68 0.04 0.00 -0.52 0.00 0.00 55.73 55.32 1u9c s ARG 4 Cb -0.30 -1.84 0.00 0.00 0.52 0.00 0.00 34.95 33.33 1u9c s ARG 4 CO 0.44 0.17 -0.23 0.08 0.02 0.00 0.00 175.30 175.78 1u9c s VAL 5 N 0.31 2.02 -0.25 3.52 1.01 -0.48 -0.77 120.40 125.75 1u9c s VAL 5 Ca -0.12 -0.99 -0.12 0.00 0.00 0.00 0.00 61.98 60.75 1u9c s VAL 5 Cb -0.15 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 1u9c s VAL 5 CO 0.05 0.55 0.23 -0.22 0.00 0.00 0.00 175.10 175.71 1u9c s LEU 6 N 0.40 4.07 -0.14 3.92 2.96 -0.11 -0.98 118.68 128.80 1u9c s LEU 6 Ca -0.18 0.14 -0.03 0.00 -0.22 0.00 0.00 54.13 53.84 1u9c s LEU 6 Cb -0.18 -2.21 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 1u9c s LEU 6 CO 0.08 -0.03 -0.03 -0.04 -1.32 0.00 0.00 176.35 175.01 1u9c s MET 7 N 1.50 3.49 -0.10 1.98 -1.94 0.06 -0.67 119.30 123.63 1u9c s MET 7 Ca 0.10 -0.49 0.01 0.00 -1.71 0.00 0.00 55.69 53.60 1u9c s MET 7 Cb -0.15 -2.89 0.02 0.00 2.01 0.00 0.00 34.83 33.82 1u9c s MET 7 CO 0.08 0.36 -0.12 0.08 -0.01 0.00 0.00 175.02 175.41 1u9c s VAL 8 N 0.04 1.26 0.28 -6.03 1.01 -0.68 -0.76 120.40 115.52 1u9c s VAL 8 Ca 0.01 -0.50 0.10 0.00 0.00 0.00 0.00 61.98 61.59 1u9c s VAL 8 Cb -0.13 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 1u9c s VAL 8 CO 0.02 0.39 -0.16 0.68 0.00 0.00 0.00 175.10 176.04 1u9c s VAL 9 N 1.06 2.22 0.69 2.92 -7.23 -0.51 -3.87 120.40 115.69 1u9c s VAL 9 Ca -0.06 -2.31 -0.13 0.00 -1.81 0.00 0.00 61.98 57.67 1u9c s VAL 9 Cb -0.15 -2.33 0.01 0.00 0.56 0.00 0.00 36.38 34.47 1u9c s VAL 9 CO -0.02 -0.39 1.08 0.28 -0.31 0.00 0.00 175.10 175.75 1u9c s THR 10 N -2.66 3.55 -0.03 5.32 -1.32 -1.26 -2.48 115.64 116.76 1u9c s THR 10 Ca 0.29 0.60 0.04 0.00 -1.21 0.00 0.00 61.69 61.42 1u9c s THR 10 Cb -0.02 -3.16 0.07 0.00 -1.51 0.00 0.00 72.50 67.88 1u9c s THR 10 CO 0.14 -0.56 1.01 0.59 -2.21 0.00 0.00 174.62 173.58 1u9c n ASN 11 N -2.86 1.94 -4.76 8.08 4.13 -1.26 -4.59 115.26 115.93 1u9c n ASN 11 Ca 0.09 -2.20 -0.38 0.00 1.68 0.00 0.00 54.58 53.76 1u9c n ASN 11 Cb 0.53 -0.11 -0.06 0.00 -1.54 0.00 0.00 39.78 38.60 1u9c n ASN 11 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 1u9c s HIS 12 N -1.37 3.63 -0.01 3.10 2.46 -1.26 -4.75 115.29 117.09 1u9c s HIS 12 Ca 0.08 1.05 0.01 0.00 0.47 0.00 0.00 55.06 56.67 1u9c s HIS 12 Cb 0.07 -2.53 -0.02 0.00 -0.13 0.00 0.00 32.58 29.97 1u9c s HIS 12 CO 0.01 0.34 0.02 0.25 -2.47 0.00 0.00 174.74 172.89 1u9c n THR 13 N 2.89 0.03 -3.09 0.89 -2.24 -1.26 -3.01 114.28 108.50 1u9c n THR 13 Ca -0.08 -0.04 -0.40 0.00 -2.27 0.00 0.00 64.05 61.25 1u9c n THR 13 Cb 0.51 -0.01 -0.05 0.00 -2.10 0.00 0.00 70.33 68.68 1u9c n THR 13 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1u9c s THR 14 N -2.08 5.02 0.07 4.28 -4.23 -1.26 -0.82 115.64 116.61 1u9c s THR 14 Ca -0.01 1.29 0.00 0.00 -1.18 0.00 0.00 61.69 61.79 1u9c s THR 14 Cb 0.01 -3.98 0.00 0.00 1.34 0.00 0.00 72.50 69.86 1u9c s THR 14 CO 0.06 0.15 0.00 -0.38 -0.54 0.00 0.00 174.62 173.91 1u9c n ILE 15 N 4.39 0.68 -4.32 2.99 5.41 -1.12 -4.94 119.36 122.45 1u9c n ILE 15 Ca -0.01 0.22 -0.19 0.00 1.00 0.00 0.00 62.75 63.77 1u9c n ILE 15 Cb 0.50 -1.28 -0.09 0.00 -0.71 0.00 0.00 39.64 38.06 1u9c n ILE 15 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1u9c s THR 16 N -1.58 0.16 0.35 1.39 -4.23 -1.05 -5.01 115.64 105.66 1u9c s THR 16 Ca 0.00 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 1u9c s THR 16 Cb 0.00 -2.48 0.19 0.00 1.34 0.00 0.00 72.50 71.55 1u9c s THR 16 CO 0.00 0.00 1.92 0.44 -0.54 0.00 0.00 174.62 176.44 1u9c h ASP 17 N 2.17 0.49 -0.32 3.99 3.32 -2.01 -2.84 116.42 121.22 1u9c h ASP 17 Ca -0.30 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1u9c h ASP 17 Cb 1.24 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1u9c h ASP 17 CO 0.45 0.51 0.00 -0.67 -1.72 0.00 0.00 179.24 177.81 1u9c n ASP 18 N -4.33 2.20 -3.41 6.45 2.03 -1.26 -4.82 116.55 113.42 1u9c n ASP 18 Ca 0.02 -1.88 -0.14 0.00 0.52 0.00 0.00 54.79 53.31 1u9c n ASP 18 Cb 0.20 -0.21 -0.10 0.00 -0.72 0.00 0.00 41.12 40.29 1u9c n ASP 18 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 1u9c s HIS 19 N -1.58 -0.56 0.21 -0.67 3.76 -1.07 -5.14 115.29 110.24 1u9c s HIS 19 Ca 0.32 0.41 0.09 0.00 -0.15 0.00 0.00 55.06 55.72 1u9c s HIS 19 Cb 0.17 -0.22 -0.04 0.00 1.11 0.00 0.00 32.58 33.60 1u9c s HIS 19 CO 0.24 -0.72 -0.02 0.15 -0.85 0.00 0.00 174.74 173.54 1u9c s LYS 20 N 2.43 2.30 0.00 1.40 -0.14 -1.26 -2.53 119.74 121.94 1u9c s LYS 20 Ca 0.10 -1.27 0.00 0.00 -1.36 0.00 0.00 55.97 53.44 1u9c s LYS 20 Cb -0.15 -2.24 0.00 0.00 -1.68 0.00 0.00 37.83 33.76 1u9c s LYS 20 CO -0.18 0.41 0.00 -2.37 -0.76 0.00 0.00 175.35 172.45 1u9c n THR 21 N -0.43 0.00 -1.77 2.17 5.66 -0.00 -4.63 114.28 115.28 1u9c n THR 21 Ca -0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 1u9c n THR 21 Cb 0.57 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.35 1u9c n THR 21 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1u9c n GLY 22 N 0.00 -0.51 3.75 1.09 0.00 -1.17 -4.30 105.19 104.05 1u9c n GLY 22 Ca 0.00 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 1u9c n GLY 22 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1u9c s LEU 23 N 0.00 4.47 -0.59 0.99 2.96 -0.24 -3.21 118.68 123.06 1u9c s LEU 23 Ca 0.00 2.28 -0.28 0.00 -0.22 0.00 0.00 54.13 55.92 1u9c s LEU 23 Cb 0.00 -3.62 0.03 0.00 0.50 0.00 0.00 46.19 43.11 1u9c s LEU 23 CO 0.00 -0.33 1.17 0.86 -1.32 0.00 0.00 176.35 176.73 1u9c s TRP 24 N -0.43 2.60 0.21 5.38 -0.11 -0.94 -0.51 118.94 125.13 1u9c s TRP 24 Ca 0.50 0.30 -0.14 0.00 1.22 0.00 0.00 56.10 57.99 1u9c s TRP 24 Cb -0.33 -4.47 0.23 0.00 -1.50 0.00 0.00 33.47 27.40 1u9c s TRP 24 CO 0.39 -1.61 1.63 1.25 -4.62 0.00 0.00 176.95 173.99 1u9c h LEU 25 N 11.92 -0.56 -1.48 5.86 5.85 -1.88 -1.32 115.31 133.71 1u9c h LEU 25 Ca -0.25 0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1u9c h LEU 25 Cb 1.06 0.38 -0.03 0.00 0.37 0.00 0.00 40.66 42.44 1u9c h LEU 25 CO 1.18 -0.20 0.37 -0.08 -0.34 0.00 0.00 178.44 179.37 1u9c h GLU 26 N 0.01 0.69 0.00 1.25 4.81 -1.92 0.35 114.58 119.76 1u9c h GLU 26 Ca 0.30 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 1u9c h GLU 26 Cb 0.46 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 1u9c h GLU 26 CO -0.63 0.46 -0.08 0.93 -0.73 0.00 0.00 179.01 178.96 1u9c h GLU 27 N 0.71 0.00 0.00 1.92 5.08 -1.56 -1.34 114.58 119.39 1u9c h GLU 27 Ca 0.21 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.39 1u9c h GLU 27 Cb -0.03 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1u9c h GLU 27 CO -0.05 0.08 -1.04 0.35 -1.00 0.00 0.00 179.01 177.35 1u9c h PHE 28 N 0.00 0.00 -0.38 4.33 3.57 -1.35 -3.41 116.94 119.71 1u9c h PHE 28 Ca -0.00 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 1u9c h PHE 28 Cb 0.33 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1u9c h PHE 28 CO 0.00 1.26 -0.05 0.00 -2.23 0.00 0.00 178.31 177.28 1u9c h ALA 29 N -0.51 0.52 -0.04 2.41 0.00 -0.77 -0.28 119.26 120.59 1u9c h ALA 29 Ca -0.27 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1u9c h ALA 29 Cb 1.17 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1u9c h ALA 29 CO -0.16 0.34 -0.01 0.28 0.00 0.00 0.00 179.25 179.70 1u9c h VAL 30 N 0.51 1.28 -0.62 0.00 2.07 -1.49 -1.47 116.25 116.53 1u9c h VAL 30 Ca 0.10 -0.85 0.04 0.00 0.82 0.00 0.00 66.70 66.82 1u9c h VAL 30 Cb 0.55 1.78 -0.05 0.00 -1.52 0.00 0.00 31.29 32.05 1u9c h VAL 30 CO 0.03 0.23 0.36 -0.65 0.02 0.00 0.00 177.57 177.56 1u9c h PRO 31 N -0.27 0.67 -0.45 1.57 0.11 -1.75 -1.65 132.00 130.24 1u9c h PRO 31 Ca 0.01 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 66.14 1u9c h PRO 31 Cb 0.37 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 31.28 1u9c h PRO 31 CO 0.00 0.44 0.15 -0.92 -0.21 0.00 0.00 178.00 177.47 1u9c h TYR 32 N 0.69 0.27 -0.37 0.65 3.20 -0.89 0.12 116.97 120.63 1u9c h TYR 32 Ca 0.27 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.12 1u9c h TYR 32 Cb 0.11 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 1u9c h TYR 32 CO -0.07 0.09 0.06 1.25 -1.64 0.00 0.00 178.16 177.85 1u9c h LEU 33 N 0.32 0.59 -0.35 2.82 5.85 -0.99 0.49 115.31 124.03 1u9c h LEU 33 Ca 0.21 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.75 1u9c h LEU 33 Cb 0.22 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 1u9c h LEU 33 CO -0.23 0.70 -0.04 0.58 -0.34 0.00 0.00 178.44 179.11 1u9c h VAL 34 N 0.46 0.69 -0.50 1.05 2.07 -0.87 0.15 116.25 119.30 1u9c h VAL 34 Ca 0.11 -0.02 -0.09 0.00 0.82 0.00 0.00 66.70 67.53 1u9c h VAL 34 Cb 0.35 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1u9c h VAL 34 CO 0.01 0.01 -0.04 -0.26 0.02 0.00 0.00 177.57 177.31 1u9c h PHE 35 N 0.05 1.00 -0.84 1.57 0.04 -0.65 -2.30 116.94 115.81 1u9c h PHE 35 Ca 0.17 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1u9c h PHE 35 Cb 0.25 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 1u9c h PHE 35 CO -0.28 0.94 0.54 1.96 -0.60 0.00 0.00 178.31 180.87 1u9c h GLN 36 N 0.77 1.12 -0.34 1.51 1.08 -0.71 -2.07 115.11 116.46 1u9c h GLN 36 Ca 0.14 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 1u9c h GLN 36 Cb 0.57 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 1u9c h GLN 36 CO 0.03 0.75 0.16 0.93 -0.95 0.00 0.00 178.83 179.76 1u9c h GLU 37 N 1.14 0.46 0.00 1.46 5.08 -0.63 -0.44 114.58 121.65 1u9c h GLU 37 Ca 0.31 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1u9c h GLU 37 Cb -0.10 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.05 1u9c h GLU 37 CO -0.06 0.36 0.00 1.63 -1.00 0.00 0.00 179.01 179.94 1u9c n LYS 38 N -4.43 0.26 -0.77 2.33 4.76 -0.90 -4.91 118.16 114.51 1u9c n LYS 38 Ca 0.02 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 1u9c n LYS 38 Cb 0.11 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.80 1u9c n LYS 38 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1u9c n GLY 39 N 1.30 0.55 3.80 0.72 0.00 -0.17 -5.05 105.19 106.35 1u9c n GLY 39 Ca 0.11 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 1u9c n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1u9c s TYR 40 N -2.00 2.95 -0.50 1.61 2.02 -0.81 -4.79 117.35 115.82 1u9c s TYR 40 Ca 0.00 1.50 -0.22 0.00 -0.37 0.00 0.00 57.07 57.99 1u9c s TYR 40 Cb 0.00 -3.01 0.04 0.00 -0.40 0.00 0.00 41.96 38.59 1u9c s TYR 40 CO 0.00 -1.22 0.76 0.34 -1.57 0.00 0.00 175.55 173.86 1u9c s ASP 41 N -2.93 6.30 -0.21 2.29 2.15 -0.33 -4.64 116.67 119.30 1u9c s ASP 41 Ca 0.63 -0.52 -0.07 0.00 0.43 0.00 0.00 52.55 53.02 1u9c s ASP 41 Cb -0.16 -2.36 -0.03 0.00 -0.30 0.00 0.00 42.92 40.07 1u9c s ASP 41 CO 0.41 -0.99 0.05 -0.69 -0.17 0.00 0.00 175.17 173.77 1u9c s VAL 42 N 3.21 4.42 -0.25 1.11 1.01 -1.26 -1.38 120.40 127.25 1u9c s VAL 42 Ca 0.24 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.96 1u9c s VAL 42 Cb -0.15 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 1u9c s VAL 42 CO 0.17 0.41 0.17 -0.75 0.00 0.00 0.00 175.10 175.09 1u9c s LYS 43 N 0.97 4.02 -0.44 2.72 2.20 -0.15 -4.98 119.74 124.08 1u9c s LYS 43 Ca 0.03 -0.29 -0.16 0.00 -0.36 0.00 0.00 55.97 55.20 1u9c s LYS 43 Cb -0.14 -3.58 0.04 0.00 -1.51 0.00 0.00 37.83 32.65 1u9c s LYS 43 CO 0.03 -0.02 0.37 0.08 -0.36 0.00 0.00 175.35 175.44 1u9c s VAL 44 N 1.30 5.22 0.25 4.02 1.01 -1.26 -0.76 120.40 130.18 1u9c s VAL 44 Ca 0.07 -0.77 0.11 0.00 0.00 0.00 0.00 61.98 61.39 1u9c s VAL 44 Cb -0.14 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 1u9c s VAL 44 CO 0.07 -0.45 -0.15 0.00 0.00 0.00 0.00 175.10 174.57 1u9c s ALA 45 N 1.76 2.83 0.23 5.51 0.00 0.07 -1.62 121.76 130.54 1u9c s ALA 45 Ca 0.06 -1.74 0.01 0.00 0.00 0.00 0.00 51.96 50.29 1u9c s ALA 45 Cb -0.21 -0.45 -0.05 0.00 0.00 0.00 0.00 23.12 22.42 1u9c s ALA 45 CO 0.09 0.32 0.09 -1.54 0.00 0.00 0.00 175.76 174.73 1u9c s SER 46 N -3.33 0.97 0.19 0.00 1.04 -0.04 -1.42 113.70 111.10 1u9c s SER 46 Ca 0.28 -1.36 -0.12 0.00 0.48 0.00 0.00 55.95 55.24 1u9c s SER 46 Cb -0.06 0.20 0.18 0.00 0.10 0.00 0.00 66.02 66.44 1u9c s SER 46 CO 0.15 -0.73 1.77 0.40 0.98 0.00 0.00 173.24 175.81 1u9c h ILE 47 N 2.48 0.88 0.00 -1.02 1.08 -1.78 -0.45 117.51 118.70 1u9c h ILE 47 Ca -0.38 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 1u9c h ILE 47 Cb 1.24 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 35.39 1u9c h ILE 47 CO 0.59 0.08 -1.40 0.00 -0.69 0.00 0.00 178.15 176.73 1u9c n GLN 48 N -4.94 0.38 -0.26 2.37 1.13 -1.26 -4.10 117.38 110.69 1u9c n GLN 48 Ca 0.06 -0.07 0.03 0.00 -1.94 0.00 0.00 57.00 55.08 1u9c n GLN 48 Cb 0.19 -1.55 -0.01 0.00 0.11 0.00 0.00 30.24 28.97 1u9c n GLN 48 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1u9c n GLY 49 N 1.35 -1.72 6.96 1.08 0.00 -1.21 -4.65 105.19 106.99 1u9c n GLY 49 Ca -0.00 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.57 1u9c n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u9c n GLY 50 N -2.19 -1.06 3.63 -0.02 0.00 -0.17 -4.82 105.19 100.56 1u9c n GLY 50 Ca -0.00 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 1u9c n GLY 50 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u9c s GLU 51 N 0.00 4.03 0.01 1.61 2.12 -1.19 -1.58 118.70 123.71 1u9c s GLU 51 Ca 0.00 0.94 -0.28 0.00 0.36 0.00 0.00 54.97 55.99 1u9c s GLU 51 Cb 0.00 -3.74 -0.04 0.00 0.26 0.00 0.00 34.13 30.61 1u9c s GLU 51 CO 0.00 -0.87 0.91 0.08 -0.54 0.00 0.00 175.26 174.84 1u9c s VAL 52 N 3.52 4.82 0.30 3.70 1.01 -0.37 -5.00 120.40 128.38 1u9c s VAL 52 Ca 0.43 1.92 -0.28 0.00 0.00 0.00 0.00 61.98 64.05 1u9c s VAL 52 Cb -0.12 -4.25 -0.09 0.00 0.00 0.00 0.00 36.38 31.91 1u9c s VAL 52 CO 0.15 0.22 0.99 -2.16 0.00 0.00 0.00 175.10 174.30 1u9c s PRO 53 N 0.68 4.61 -0.07 2.72 0.04 -1.26 -4.91 135.00 136.81 1u9c s PRO 53 Ca 0.47 1.49 -0.03 0.00 0.04 0.00 0.00 61.00 62.98 1u9c s PRO 53 Cb -0.21 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 1u9c s PRO 53 CO 0.26 0.28 0.05 -0.51 0.04 0.00 0.00 177.00 177.12 1u9c s LEU 54 N -1.77 3.83 0.18 -3.56 1.43 -1.26 -1.08 118.68 116.44 1u9c s LEU 54 Ca 0.48 0.21 -0.32 0.00 -1.03 0.00 0.00 54.13 53.47 1u9c s LEU 54 Cb -0.24 -1.98 -0.12 0.00 0.03 0.00 0.00 46.19 43.88 1u9c s LEU 54 CO 0.30 0.36 1.76 -0.67 0.23 0.00 0.00 176.35 178.32 1u9c n ASP 55 N 1.86 3.99 0.28 2.29 -0.08 0.34 -4.52 116.55 120.71 1u9c n ASP 55 Ca -0.17 1.04 0.14 0.00 -1.51 0.00 0.00 54.79 54.28 1u9c n ASP 55 Cb 0.54 -1.56 0.83 0.00 2.34 0.00 0.00 41.12 43.26 1u9c n ASP 55 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1u9c h PRO 56 N 7.33 0.00 0.00 -0.67 0.11 -1.85 -0.36 132.00 136.55 1u9c h PRO 56 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1u9c h PRO 56 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1u9c h PRO 56 CO 0.95 0.06 0.00 0.54 -0.21 0.00 0.00 178.00 179.35 1u9c n ARG 57 N -3.70 0.35 -0.05 1.05 5.12 -1.26 -3.58 116.66 114.60 1u9c n ARG 57 Ca -0.02 0.06 0.06 0.00 -1.93 0.00 0.00 57.85 56.02 1u9c n ARG 57 Cb 0.17 -1.50 0.09 0.00 -1.16 0.00 0.00 32.46 30.05 1u9c n ARG 57 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1u9c n SER 58 N -1.27 2.33 -0.81 0.55 3.41 -0.15 -4.58 113.62 113.10 1u9c n SER 58 Ca 0.12 -1.66 0.07 0.00 -0.26 0.00 0.00 58.87 57.14 1u9c n SER 58 Cb 0.18 -0.07 0.18 0.00 -0.26 0.00 0.00 64.21 64.25 1u9c n SER 58 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1u9c n ILE 59 N 0.72 0.82 0.58 -1.33 -5.35 -1.23 -4.41 119.36 109.16 1u9c n ILE 59 Ca 0.09 -0.91 0.12 0.00 -0.27 0.00 0.00 62.75 61.78 1u9c n ILE 59 Cb 0.36 0.65 0.10 0.00 -1.74 0.00 0.00 39.64 39.00 1u9c n ILE 59 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1u9c n ASN 60 N 0.86 0.65 -2.67 7.28 3.02 -1.26 -4.35 115.26 118.79 1u9c n ASN 60 Ca 0.14 -0.05 -0.17 0.00 -0.03 0.00 0.00 54.58 54.47 1u9c n ASN 60 Cb 0.47 0.48 0.01 0.00 -0.61 0.00 0.00 39.78 40.13 1u9c n ASN 60 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1u9c n GLU 61 N -2.02 1.98 -1.97 3.52 -0.58 -1.26 -5.10 120.64 115.21 1u9c n GLU 61 Ca 0.03 -3.76 -0.42 0.00 -0.42 0.00 0.00 57.16 52.58 1u9c n GLU 61 Cb 0.44 -1.67 -0.03 0.00 -0.57 0.00 0.00 31.44 29.61 1u9c n GLU 61 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1u9c s LYS 62 N -3.21 4.23 0.23 3.49 1.02 -1.26 -4.98 119.74 119.27 1u9c s LYS 62 Ca 0.36 2.32 -0.30 0.00 0.02 0.00 0.00 55.97 58.38 1u9c s LYS 62 Cb 0.42 -3.17 -0.09 0.00 -0.52 0.00 0.00 37.83 34.47 1u9c s LYS 62 CO -0.06 -0.58 1.05 0.34 -0.92 0.00 0.00 175.35 175.18 1u9c s ASP 63 N 1.13 7.38 0.58 2.83 -1.08 -1.26 -4.94 116.67 121.31 1u9c s ASP 63 Ca 0.69 2.12 0.28 0.00 -0.52 0.00 0.00 52.55 55.12 1u9c s ASP 63 Cb -0.43 -2.61 1.55 0.00 -1.46 0.00 0.00 42.92 39.97 1u9c s ASP 63 CO 0.31 -0.08 2.01 -0.65 0.52 0.00 0.00 175.17 177.28 1u9c h PRO 64 N 4.32 0.00 0.00 4.34 0.11 -2.05 -0.77 132.00 137.95 1u9c h PRO 64 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1u9c h PRO 64 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1u9c h PRO 64 CO 0.69 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.14 1u9c h SER 65 N 0.00 0.00 -0.03 -2.05 4.64 -2.02 -3.15 113.55 110.94 1u9c h SER 65 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1u9c h SER 65 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1u9c h SER 65 CO -0.00 0.00 0.00 0.79 -0.87 0.00 0.00 176.83 176.75 1u9c n TRP 66 N -3.00 0.03 -0.10 4.77 8.01 -0.30 -4.45 117.44 122.41 1u9c n TRP 66 Ca 0.00 -0.02 -0.06 0.00 -1.31 0.00 0.00 57.50 56.12 1u9c n TRP 66 Cb 0.25 0.00 0.01 0.00 -2.01 0.00 0.00 31.31 29.56 1u9c n TRP 66 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1u9c h ALA 67 N 3.49 0.29 -0.29 6.99 0.00 -1.74 0.27 119.26 128.28 1u9c h ALA 67 Ca 0.00 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1u9c h ALA 67 Cb 0.06 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1u9c h ALA 67 CO 0.00 -0.42 -0.36 0.93 0.00 0.00 0.00 179.25 179.40 1u9c h GLU 68 N 0.07 0.66 -0.46 0.00 5.08 -1.90 -2.26 114.58 115.76 1u9c h GLU 68 Ca 0.17 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1u9c h GLU 68 Cb 0.24 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1u9c h GLU 68 CO -0.31 0.92 0.30 0.00 -1.00 0.00 0.00 179.01 178.92 1u9c h ALA 69 N 1.05 0.59 -0.73 3.43 0.00 -1.66 -1.15 119.26 120.79 1u9c h ALA 69 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1u9c h ALA 69 Cb 0.87 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1u9c h ALA 69 CO 0.08 0.04 0.44 0.93 0.00 0.00 0.00 179.25 180.74 1u9c h GLU 70 N 0.63 1.00 -0.60 0.00 5.08 -0.83 -2.43 114.58 117.42 1u9c h GLU 70 Ca 0.17 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 1u9c h GLU 70 Cb -0.06 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 28.96 1u9c h GLU 70 CO -0.04 0.71 0.03 0.00 -1.00 0.00 0.00 179.01 178.72 1u9c h ALA 71 N 1.23 0.93 -0.73 3.43 0.00 -1.21 -2.89 119.26 120.02 1u9c h ALA 71 Ca 0.26 -0.29 0.09 0.00 0.00 0.00 0.00 54.91 54.97 1u9c h ALA 71 Cb -0.03 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 1u9c h ALA 71 CO -0.05 0.65 0.48 0.00 0.00 0.00 0.00 179.25 180.33 1u9c h ALA 72 N 1.09 1.80 0.00 0.00 0.00 -0.75 -1.66 119.26 119.74 1u9c h ALA 72 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1u9c h ALA 72 Cb 0.50 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1u9c h ALA 72 CO 0.02 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.60 1u9c n LEU 73 N -4.49 0.26 0.08 0.00 4.77 -0.99 -2.63 117.00 114.00 1u9c n LEU 73 Ca 0.12 0.56 0.13 0.00 -0.03 0.00 0.00 56.01 56.79 1u9c n LEU 73 Cb 0.31 -0.52 0.44 0.00 -2.33 0.00 0.00 43.42 41.33 1u9c n LEU 73 CO 0.33 -0.33 0.89 0.29 -1.33 0.00 0.00 177.39 177.25 1u9c n LYS 74 N -1.78 0.21 -2.99 3.23 5.02 -0.62 -1.24 118.16 119.99 1u9c n LYS 74 Ca 0.03 0.17 -0.14 0.00 -2.02 0.00 0.00 58.31 56.35 1u9c n LYS 74 Cb 0.22 -1.74 0.02 0.00 -0.02 0.00 0.00 35.03 33.50 1u9c n LYS 74 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 1u9c n HIS 75 N -2.11 -0.97 -1.92 2.13 1.44 -1.08 -3.14 115.22 109.58 1u9c n HIS 75 Ca 0.06 -3.12 -0.32 0.00 -2.01 0.00 0.00 57.72 52.33 1u9c n HIS 75 Cb 0.41 0.38 0.02 0.00 0.12 0.00 0.00 29.99 30.93 1u9c n HIS 75 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1u9c s THR 76 N -1.40 3.93 0.47 0.61 -4.23 -0.61 -4.76 115.64 109.65 1u9c s THR 76 Ca 0.33 0.82 -0.21 0.00 -1.18 0.00 0.00 61.69 61.45 1u9c s THR 76 Cb 0.33 -3.41 -0.09 0.00 1.34 0.00 0.00 72.50 70.67 1u9c s THR 76 CO -0.06 -0.63 1.03 0.00 -0.54 0.00 0.00 174.62 174.41 1u9c s ALA 77 N -2.66 2.90 -0.16 3.99 0.00 -0.64 -0.99 121.76 124.20 1u9c s ALA 77 Ca 0.61 0.59 -0.25 0.00 0.00 0.00 0.00 51.96 52.91 1u9c s ALA 77 Cb -0.15 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 1u9c s ALA 77 CO 0.42 -0.26 0.83 0.50 0.00 0.00 0.00 175.76 177.26 1u9c s ARG 78 N -3.18 4.31 0.31 0.00 3.52 -1.26 -0.86 118.95 121.79 1u9c s ARG 78 Ca 0.66 1.03 -0.29 0.00 -0.13 0.00 0.00 55.73 57.00 1u9c s ARG 78 Cb -0.16 -3.56 -0.12 0.00 -1.56 0.00 0.00 34.95 29.54 1u9c s ARG 78 CO 0.20 -0.30 1.41 -0.11 -0.81 0.00 0.00 175.30 175.68 1u9c n LEU 79 N 5.12 3.77 -4.28 -0.88 7.94 -0.18 -4.90 117.00 123.59 1u9c n LEU 79 Ca 0.04 1.18 -0.17 0.00 -1.11 0.00 0.00 56.01 55.96 1u9c n LEU 79 Cb 0.49 -1.51 -0.10 0.00 0.53 0.00 0.00 43.42 42.82 1u9c n LEU 79 CO 0.48 -0.27 -0.43 -0.55 -1.11 0.00 0.00 177.39 175.51 1u9c s SER 80 N 0.03 2.11 0.62 1.96 0.15 -1.26 -5.00 113.70 112.32 1u9c s SER 80 Ca 0.60 -0.95 0.37 0.00 0.70 0.00 0.00 55.95 56.67 1u9c s SER 80 Cb -0.56 -0.07 2.06 0.00 -1.71 0.00 0.00 66.02 65.74 1u9c s SER 80 CO 0.56 -0.22 2.28 0.11 1.20 0.00 0.00 173.24 177.18 1u9c h LYS 81 N 2.97 0.00 -0.05 5.44 1.57 -1.94 -1.10 116.57 123.45 1u9c h LYS 81 Ca -0.38 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.41 1u9c h LYS 81 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 1u9c h LYS 81 CO 0.59 0.01 0.03 -0.44 -0.57 0.00 0.00 179.45 179.07 1u9c h ASP 82 N 0.00 0.00 0.04 0.86 3.32 -1.95 -1.14 116.42 117.54 1u9c h ASP 82 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1u9c h ASP 82 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1u9c h ASP 82 CO 0.00 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.99 1u9c n ASP 83 N -4.52 0.00 0.16 6.45 8.00 -0.42 -3.01 116.55 123.21 1u9c n ASP 83 Ca -0.02 -0.51 0.13 0.00 0.71 0.00 0.00 54.79 55.11 1u9c n ASP 83 Cb 0.14 -0.03 0.52 0.00 -0.02 0.00 0.00 41.12 41.73 1u9c n ASP 83 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u9c h ALA 84 N 3.11 1.00 -2.65 2.24 0.00 -1.36 -3.45 119.26 118.16 1u9c h ALA 84 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 1u9c h ALA 84 Cb 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.63 1u9c h ALA 84 CO 0.00 0.00 -0.72 -1.01 0.00 0.00 0.00 179.25 177.52 1u9c s HIS 85 N -3.37 0.99 0.00 0.00 3.76 -1.17 -4.45 115.29 111.04 1u9c s HIS 85 Ca 0.04 -0.70 0.00 0.00 -0.15 0.00 0.00 55.06 54.25 1u9c s HIS 85 Cb 0.09 -0.55 0.00 0.00 1.11 0.00 0.00 32.58 33.24 1u9c s HIS 85 CO 0.45 -0.04 0.00 0.41 -0.85 0.00 0.00 174.74 174.71 1u9c n GLY 86 N 0.50 0.64 3.25 -2.22 0.00 -1.26 -5.03 105.19 101.06 1u9c n GLY 86 Ca -0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 1u9c n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u9c s PHE 87 N -2.19 1.87 -0.18 1.61 0.08 -1.26 -4.83 117.98 113.08 1u9c s PHE 87 Ca 0.00 -0.37 0.17 0.00 0.12 0.00 0.00 56.93 56.84 1u9c s PHE 87 Cb 0.00 -1.14 0.03 0.00 -0.57 0.00 0.00 43.02 41.34 1u9c s PHE 87 CO 0.00 0.06 1.27 -0.44 -0.10 0.00 0.00 175.22 176.02 1u9c h ASP 88 N 5.06 0.00 -5.01 1.36 3.32 -1.35 -3.47 116.42 116.34 1u9c h ASP 88 Ca -0.42 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.52 1u9c h ASP 88 Cb 1.15 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.51 1u9c h ASP 88 CO 0.45 0.45 -0.26 0.00 -1.72 0.00 0.00 179.24 178.16 1u9c s ALA 89 N -3.00 -0.78 0.01 3.45 0.00 -1.16 -2.36 121.76 117.93 1u9c s ALA 89 Ca 0.02 0.27 0.08 0.00 0.00 0.00 0.00 51.96 52.33 1u9c s ALA 89 Cb 0.08 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 1u9c s ALA 89 CO 0.76 -0.30 -0.24 -1.50 0.00 0.00 0.00 175.76 174.48 1u9c s ILE 90 N -1.62 1.89 -0.09 0.00 2.07 -0.26 -0.93 121.20 122.26 1u9c s ILE 90 Ca -0.11 -1.15 0.01 0.00 -1.41 0.00 0.00 60.65 57.98 1u9c s ILE 90 Cb -0.04 -1.60 0.02 0.00 0.13 0.00 0.00 42.46 40.97 1u9c s ILE 90 CO 0.03 0.41 -0.10 0.12 -1.91 0.00 0.00 174.94 173.49 1u9c s PHE 91 N -0.67 1.45 -0.48 3.50 5.36 0.15 -0.62 117.98 126.66 1u9c s PHE 91 Ca 0.09 -0.62 -0.03 0.00 -0.96 0.00 0.00 56.93 55.41 1u9c s PHE 91 Cb -0.09 -1.13 0.13 0.00 -0.34 0.00 0.00 43.02 41.58 1u9c s PHE 91 CO 0.00 -0.38 0.29 -0.51 -1.46 0.00 0.00 175.22 173.16 1u9c s LEU 92 N 1.15 5.24 1.07 6.12 1.43 0.07 -1.68 118.68 132.07 1u9c s LEU 92 Ca -0.05 -2.33 -0.12 0.00 -1.03 0.00 0.00 54.13 50.60 1u9c s LEU 92 Cb -0.14 -1.84 0.23 0.00 0.03 0.00 0.00 46.19 44.47 1u9c s LEU 92 CO -0.02 -0.48 1.06 -2.84 0.23 0.00 0.00 176.35 174.30 1u9c s PRO 93 N 0.71 -0.17 0.00 1.29 0.02 -1.25 -1.56 135.00 134.04 1u9c s PRO 93 Ca 0.11 0.85 0.00 0.00 0.02 0.00 0.00 61.00 61.99 1u9c s PRO 93 Cb -0.22 -1.64 0.00 0.00 0.02 0.00 0.00 34.50 32.66 1u9c s PRO 93 CO -0.04 -3.22 0.00 0.41 -0.33 0.00 0.00 177.00 173.82 1u9c n GLY 94 N 0.10 2.57 0.00 0.52 0.00 -1.16 -4.03 105.19 103.19 1u9c n GLY 94 Ca 0.05 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1u9c n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u9c n GLY 95 N 5.00 2.28 0.30 -0.02 0.00 -1.26 -2.22 105.19 109.27 1u9c n GLY 95 Ca 0.00 -1.75 0.19 0.00 0.00 0.00 0.00 46.02 44.47 1u9c n GLY 95 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1u9c h HIS 96 N 0.00 0.00 -0.90 1.61 3.86 -1.96 -2.31 115.15 115.46 1u9c h HIS 96 Ca 0.00 0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.35 1u9c h HIS 96 Cb 0.00 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.40 1u9c h HIS 96 CO 0.00 0.02 0.58 0.78 0.86 0.00 0.00 177.93 180.16 1u9c h GLY 97 N 0.91 1.23 1.40 2.45 0.00 -1.74 -1.77 103.07 105.54 1u9c h GLY 97 Ca -0.00 -0.31 0.05 0.00 0.00 0.00 0.00 47.33 47.08 1u9c h GLY 97 CO 0.00 0.09 0.28 -0.91 0.00 0.00 0.00 176.54 176.00 1u9c h THR 98 N 0.71 0.97 0.00 4.70 1.35 -1.68 -1.47 112.91 117.49 1u9c h THR 98 Ca 0.45 -0.11 -0.00 0.00 -0.55 0.00 0.00 66.41 66.19 1u9c h THR 98 Cb 0.71 0.60 -0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1u9c h THR 98 CO -0.21 0.06 -0.02 0.24 -0.25 0.00 0.00 175.52 175.34 1u9c h MET 99 N 0.33 0.00 0.00 4.72 2.86 -1.51 -0.37 114.93 120.96 1u9c h MET 99 Ca 0.18 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.71 1u9c h MET 99 Cb 0.29 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1u9c h MET 99 CO -0.04 0.02 -2.02 1.19 1.06 0.00 0.00 176.91 177.12 1u9c n PHE 100 N -3.36 0.00 -0.07 -0.22 3.72 -0.57 -4.63 117.46 112.33 1u9c n PHE 100 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1u9c n PHE 100 Cb 0.13 -0.60 0.00 0.00 -0.94 0.00 0.00 39.48 38.07 1u9c n PHE 100 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1u9c n ASP 101 N -2.35 0.50 -0.10 4.37 5.75 -1.10 -4.85 116.55 118.77 1u9c n ASP 101 Ca -0.12 -0.76 -0.23 0.00 -0.01 0.00 0.00 54.79 53.66 1u9c n ASP 101 Cb 0.71 0.38 -0.12 0.00 -1.03 0.00 0.00 41.12 41.06 1u9c n ASP 101 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1u9c n PHE 102 N -0.38 0.84 -0.02 2.11 3.01 -0.16 -4.32 117.46 118.55 1u9c n PHE 102 Ca 0.00 0.34 0.02 0.00 1.01 0.00 0.00 57.45 58.82 1u9c n PHE 102 Cb 0.02 -1.09 0.36 0.00 -0.01 0.00 0.00 39.48 38.76 1u9c n PHE 102 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1u9c h PRO 103 N -0.87 0.58 -0.46 -1.08 0.13 -1.70 -2.73 132.00 125.86 1u9c h PRO 103 Ca -0.43 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1u9c h PRO 103 Cb 1.45 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1u9c h PRO 103 CO -0.22 0.46 0.00 -0.25 -0.23 0.00 0.00 178.00 177.76 1u9c n ASP 104 N -4.40 3.68 -4.62 1.44 8.00 -1.26 -4.36 116.55 115.03 1u9c n ASP 104 Ca 0.03 -2.29 -0.43 0.00 0.71 0.00 0.00 54.79 52.82 1u9c n ASP 104 Cb 0.12 -0.41 -0.02 0.00 -0.02 0.00 0.00 41.12 40.79 1u9c n ASP 104 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1u9c s ASN 105 N -1.14 6.82 0.34 -2.24 3.84 -1.03 -4.91 114.94 116.62 1u9c s ASN 105 Ca 0.37 0.85 0.06 0.00 0.21 0.00 0.00 52.86 54.34 1u9c s ASN 105 Cb 0.23 -2.52 0.62 0.00 -0.55 0.00 0.00 41.25 39.03 1u9c s ASN 105 CO 0.19 -0.93 1.86 1.05 -2.79 0.00 0.00 177.10 176.48 1u9c h GLU 106 N 8.35 0.41 -0.07 0.43 -0.00 -1.92 -1.42 114.58 120.35 1u9c h GLU 106 Ca -0.22 -0.10 -0.00 0.00 -0.00 0.00 0.00 59.36 59.04 1u9c h GLU 106 Cb 1.07 -0.05 -0.00 0.00 -0.00 0.00 0.00 28.75 29.76 1u9c h GLU 106 CO 1.03 0.52 0.03 1.15 -0.00 0.00 0.00 179.01 181.74 1u9c h THR 107 N 0.39 1.12 -0.65 -1.06 2.02 -1.97 -1.30 112.91 111.46 1u9c h THR 107 Ca 0.08 -0.37 -0.07 0.00 0.77 0.00 0.00 66.41 66.82 1u9c h THR 107 Cb 0.42 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 1u9c h THR 107 CO 0.02 0.11 0.14 0.25 0.37 0.00 0.00 175.52 176.41 1u9c h LEU 108 N -0.02 0.99 -0.72 2.58 5.85 -1.87 -0.73 115.31 121.39 1u9c h LEU 108 Ca 0.02 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1u9c h LEU 108 Cb 0.14 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1u9c h LEU 108 CO -0.00 0.96 0.45 1.56 -0.34 0.00 0.00 178.44 181.07 1u9c h GLN 109 N 0.99 0.96 -0.34 1.25 4.20 -1.15 -0.35 115.11 120.67 1u9c h GLN 109 Ca 0.21 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1u9c h GLN 109 Cb 0.37 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1u9c h GLN 109 CO 0.00 0.66 0.08 -0.92 -0.67 0.00 0.00 178.83 177.99 1u9c h TYR 110 N 0.98 0.58 -0.13 2.96 3.20 -0.80 -0.77 116.97 122.99 1u9c h TYR 110 Ca 0.26 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 62.07 1u9c h TYR 110 Cb -0.07 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.02 1u9c h TYR 110 CO -0.02 0.59 0.03 0.28 -1.64 0.00 0.00 178.16 177.40 1u9c h VAL 111 N 0.40 0.95 -0.58 1.81 2.07 -0.93 -2.08 116.25 117.89 1u9c h VAL 111 Ca 0.11 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 67.52 1u9c h VAL 111 Cb 0.30 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1u9c h VAL 111 CO 0.00 0.02 0.07 -0.07 0.02 0.00 0.00 177.57 177.60 1u9c h LEU 112 N 0.09 0.92 -0.51 2.57 3.38 -0.94 -1.32 115.31 119.49 1u9c h LEU 112 Ca 0.05 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.85 1u9c h LEU 112 Cb 0.04 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 1u9c h LEU 112 CO -0.07 0.94 0.27 -0.61 0.09 0.00 0.00 178.44 179.06 1u9c h GLN 113 N 0.90 0.50 -0.38 1.13 4.15 -0.91 -0.86 115.11 119.64 1u9c h GLN 113 Ca 0.18 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.49 1u9c h GLN 113 Cb 0.43 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 1u9c h GLN 113 CO 0.01 0.33 -0.05 1.96 -1.93 0.00 0.00 178.83 179.16 1u9c h GLN 114 N 0.52 0.71 -0.68 1.69 1.08 -0.79 0.19 115.11 117.83 1u9c h GLN 114 Ca 0.22 -0.25 0.09 0.00 -1.45 0.00 0.00 58.65 57.26 1u9c h GLN 114 Cb 0.12 -0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 27.43 1u9c h GLN 114 CO -0.15 0.83 0.32 0.74 -0.95 0.00 0.00 178.83 179.62 1u9c h PHE 115 N 0.52 0.57 -0.08 2.96 -1.00 -1.03 -0.31 116.94 118.57 1u9c h PHE 115 Ca 0.10 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.90 1u9c h PHE 115 Cb 0.55 -0.15 -0.00 0.00 3.61 0.00 0.00 35.95 39.95 1u9c h PHE 115 CO 0.04 0.19 0.01 0.00 -1.61 0.00 0.00 178.31 176.95 1u9c h ALA 116 N 1.42 0.10 -0.36 2.45 0.00 -0.86 -1.58 119.26 120.44 1u9c h ALA 116 Ca 0.34 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1u9c h ALA 116 Cb 0.37 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1u9c h ALA 116 CO -0.28 -0.25 0.25 0.93 0.00 0.00 0.00 179.25 179.90 1u9c h GLU 117 N -0.10 0.19 -0.38 0.00 4.39 -0.39 -2.36 114.58 115.93 1u9c h GLU 117 Ca 0.02 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1u9c h GLU 117 Cb 0.28 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1u9c h GLU 117 CO 0.00 0.13 0.00 -0.25 -1.16 0.00 0.00 179.01 177.73 1u9c n ASP 118 N -4.47 3.35 -0.48 1.42 8.00 -0.15 -4.96 116.55 119.27 1u9c n ASP 118 Ca 0.05 -1.98 -0.06 0.00 0.71 0.00 0.00 54.79 53.51 1u9c n ASP 118 Cb 0.29 -0.24 -0.02 0.00 -0.02 0.00 0.00 41.12 41.13 1u9c n ASP 118 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u9c n GLY 119 N 1.49 0.66 3.97 0.44 0.00 -0.89 -5.01 105.19 105.84 1u9c n GLY 119 Ca 0.19 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 1u9c n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u9c s ARG 120 N -2.88 2.41 -0.04 1.61 0.52 -0.64 -5.00 118.95 114.93 1u9c s ARG 120 Ca 0.00 -0.72 -0.26 0.00 -0.52 0.00 0.00 55.73 54.23 1u9c s ARG 120 Cb 0.00 -2.42 -0.03 0.00 0.52 0.00 0.00 34.95 33.02 1u9c s ARG 120 CO 0.00 -0.87 0.81 0.42 0.02 0.00 0.00 175.30 175.68 1u9c s ILE 121 N -2.88 4.98 -0.17 1.52 1.01 -1.00 -4.72 121.20 119.94 1u9c s ILE 121 Ca 0.59 1.68 0.00 0.00 0.00 0.00 0.00 60.65 62.92 1u9c s ILE 121 Cb -0.10 -4.15 0.01 0.00 0.01 0.00 0.00 42.46 38.23 1u9c s ILE 121 CO 0.40 0.22 -0.17 -0.63 0.00 0.00 0.00 174.94 174.76 1u9c s ILE 122 N 0.86 2.36 0.06 2.92 1.01 -0.40 -1.10 121.20 126.91 1u9c s ILE 122 Ca 0.43 -0.85 0.06 0.00 0.00 0.00 0.00 60.65 60.29 1u9c s ILE 122 Cb -0.19 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 1u9c s ILE 122 CO 0.22 0.52 -0.16 0.00 0.00 0.00 0.00 174.94 175.52 1u9c s ALA 123 N 1.14 1.38 -0.08 9.38 0.00 0.20 -0.84 121.76 132.94 1u9c s ALA 123 Ca 0.01 -0.99 -0.25 0.00 0.00 0.00 0.00 51.96 50.73 1u9c s ALA 123 Cb -0.14 -0.19 0.06 0.00 0.00 0.00 0.00 23.12 22.84 1u9c s ALA 123 CO -0.07 0.26 0.57 0.00 0.00 0.00 0.00 175.76 176.52 1u9c s ALA 124 N -1.02 -1.47 -0.20 0.00 0.00 -0.63 -0.75 121.76 117.68 1u9c s ALA 124 Ca 0.02 1.17 0.14 0.00 0.00 0.00 0.00 51.96 53.30 1u9c s ALA 124 Cb -0.09 -0.22 0.45 0.00 0.00 0.00 0.00 23.12 23.26 1u9c s ALA 124 CO 0.02 -0.32 1.18 1.55 0.00 0.00 0.00 175.76 178.19 1u9c n VAL 125 N 1.44 1.75 0.00 0.00 3.14 -0.60 -1.18 118.33 122.87 1u9c n VAL 125 Ca -0.18 -3.08 0.00 0.00 -2.96 0.00 0.00 64.34 58.11 1u9c n VAL 125 Cb 0.56 -0.04 0.00 0.00 -1.06 0.00 0.00 33.84 33.31 1u9c n VAL 125 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1u9c n HIS 127 N -0.61 0.00 -0.29 1.45 -0.00 -1.26 -3.00 115.22 111.51 1u9c n HIS 127 Ca 0.22 0.00 0.21 0.00 -0.00 0.00 0.00 57.72 58.16 1u9c n HIS 127 Cb 0.88 0.00 0.51 0.00 -0.00 0.00 0.00 29.99 31.38 1u9c n HIS 127 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 1u9c h GLY 128 N 0.00 1.03 1.84 -1.41 0.00 -1.76 0.29 103.07 103.06 1u9c h GLY 128 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1u9c h GLY 128 CO 0.00 -0.07 0.05 -1.05 0.00 0.00 0.00 176.54 175.47 1u9c n PRO 129 N -4.56 0.07 -0.22 4.80 -0.02 -1.26 -1.77 135.00 132.04 1u9c n PRO 129 Ca 0.23 0.55 0.27 0.00 -2.02 0.00 0.00 63.50 62.53 1u9c n PRO 129 Cb 0.81 -1.79 0.66 0.00 -0.02 0.00 0.00 33.50 33.16 1u9c n PRO 129 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1u9c h SER 130 N 0.00 0.13 0.41 2.55 4.64 -1.29 0.09 113.55 120.08 1u9c h SER 130 Ca 0.00 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1u9c h SER 130 Cb 0.10 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1u9c h SER 130 CO 0.00 0.04 -0.05 1.23 -0.87 0.00 0.00 176.83 177.18 1u9c h GLY 131 N 0.13 0.00 1.14 -0.77 0.00 -1.57 -2.66 103.07 99.33 1u9c h GLY 131 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1u9c h GLY 131 CO -0.07 0.00 -0.52 1.04 0.00 0.00 0.00 176.54 176.99 1u9c n LEU 132 N -3.36 0.54 -0.22 3.11 4.77 0.02 -4.39 117.00 117.47 1u9c n LEU 132 Ca -0.02 0.13 -0.02 0.00 -0.03 0.00 0.00 56.01 56.08 1u9c n LEU 132 Cb 0.20 -0.24 0.18 0.00 -2.33 0.00 0.00 43.42 41.24 1u9c n LEU 132 CO 0.26 0.04 1.14 0.58 -1.33 0.00 0.00 177.39 178.08 1u9c h VAL 133 N 0.00 1.22 -0.05 4.08 2.07 -1.51 -2.73 116.25 119.32 1u9c h VAL 133 Ca 0.00 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1u9c h VAL 133 Cb 0.60 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1u9c h VAL 133 CO 0.00 0.25 -0.15 0.59 0.02 0.00 0.00 177.57 178.28 1u9c n ASN 134 N -4.35 2.33 -4.87 0.57 3.02 -1.26 -4.97 115.26 105.74 1u9c n ASN 134 Ca 0.07 -3.38 -0.36 0.00 -0.03 0.00 0.00 54.58 50.88 1u9c n ASN 134 Cb 0.11 -0.49 -0.06 0.00 -0.61 0.00 0.00 39.78 38.74 1u9c n ASN 134 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u9c s ALA 135 N -3.01 3.80 0.09 5.41 0.00 -1.03 -5.00 121.76 122.02 1u9c s ALA 135 Ca 0.36 -0.47 -0.05 0.00 0.00 0.00 0.00 51.96 51.79 1u9c s ALA 135 Cb 0.32 -2.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.28 1u9c s ALA 135 CO 0.00 0.58 0.12 0.95 0.00 0.00 0.00 175.76 177.41 1u9c s THR 136 N -1.14 0.15 0.96 0.00 -4.23 -1.26 -2.21 115.64 107.91 1u9c s THR 136 Ca 0.22 -1.49 -0.12 0.00 -1.18 0.00 0.00 61.69 59.13 1u9c s THR 136 Cb -0.14 -1.55 0.17 0.00 1.34 0.00 0.00 72.50 72.32 1u9c s THR 136 CO 0.11 -0.69 1.09 -0.31 -0.54 0.00 0.00 174.62 174.29 1u9c s TYR 137 N -3.92 2.13 0.40 3.99 2.02 -0.22 -4.35 117.35 117.40 1u9c s TYR 137 Ca 0.10 1.13 0.15 0.00 -0.37 0.00 0.00 57.07 58.08 1u9c s TYR 137 Cb 0.06 -3.21 1.00 0.00 -0.40 0.00 0.00 41.96 39.41 1u9c s TYR 137 CO -0.08 -2.75 1.86 0.87 -1.57 0.00 0.00 175.55 173.89 1u9c h LYS 138 N -1.80 0.47 -0.00 -0.62 1.79 -1.90 -0.59 116.57 113.93 1u9c h LYS 138 Ca -0.53 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 57.92 1u9c h LYS 138 Cb 1.31 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1u9c h LYS 138 CO 0.55 0.31 0.00 -0.40 -1.08 0.00 0.00 179.45 178.84 1u9c n ASP 139 N -4.53 0.05 0.00 0.86 5.75 -1.26 -4.89 116.55 112.52 1u9c n ASP 139 Ca 0.18 -1.16 0.00 0.00 -0.01 0.00 0.00 54.79 53.81 1u9c n ASP 139 Cb 0.62 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 1u9c n ASP 139 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1u9c n GLY 140 N 0.94 0.47 3.70 6.12 0.00 -0.23 -5.05 105.19 111.14 1u9c n GLY 140 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1u9c n GLY 140 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u9c s THR 141 N -2.18 3.09 0.27 2.61 2.01 -1.26 -4.74 115.64 115.44 1u9c s THR 141 Ca 0.00 0.69 -0.30 0.00 0.31 0.00 0.00 61.69 62.38 1u9c s THR 141 Cb 0.00 -3.44 -0.12 0.00 0.01 0.00 0.00 72.50 68.95 1u9c s THR 141 CO 0.00 0.03 1.52 -2.65 -0.69 0.00 0.00 174.62 172.83 1u9c n PRO 142 N 4.64 2.45 -0.28 4.92 -0.02 -1.26 -1.06 135.00 144.38 1u9c n PRO 142 Ca 0.14 0.87 0.11 0.00 -2.02 0.00 0.00 63.50 62.60 1u9c n PRO 142 Cb 0.41 -2.61 0.36 0.00 -0.02 0.00 0.00 33.50 31.64 1u9c n PRO 142 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1u9c h ILE 143 N 3.24 0.84 -0.00 4.25 2.04 -1.74 -2.07 117.51 124.07 1u9c h ILE 143 Ca -0.46 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1u9c h ILE 143 Cb 1.24 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1u9c h ILE 143 CO 0.78 0.13 -0.05 1.33 0.00 0.00 0.00 178.15 180.34 1u9c n VAL 144 N -4.57 0.00 -1.70 1.67 0.24 -1.26 -4.83 118.33 107.87 1u9c n VAL 144 Ca 0.18 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.34 62.02 1u9c n VAL 144 Cb 0.46 -0.29 -0.03 0.00 -1.47 0.00 0.00 33.84 32.51 1u9c n VAL 144 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1u9c s LYS 145 N -2.45 4.14 0.00 7.34 2.20 -0.78 -1.87 119.74 128.32 1u9c s LYS 145 Ca 0.31 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.52 1u9c s LYS 145 Cb 0.20 -3.83 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 1u9c s LYS 145 CO 0.46 -0.89 0.00 0.41 -0.36 0.00 0.00 175.35 174.97 1u9c n GLY 146 N 4.36 0.49 3.83 5.54 0.00 0.15 -4.92 105.19 114.64 1u9c n GLY 146 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1u9c n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u9c s LYS 147 N -0.40 3.18 -0.19 1.61 -0.14 -0.78 -4.81 119.74 118.21 1u9c s LYS 147 Ca 0.00 -0.46 -0.28 0.00 -1.36 0.00 0.00 55.97 53.87 1u9c s LYS 147 Cb 0.00 -2.93 -0.00 0.00 -1.68 0.00 0.00 37.83 33.22 1u9c s LYS 147 CO 0.00 0.64 0.97 0.99 -0.76 0.00 0.00 175.35 177.19 1u9c s THR 148 N -1.28 4.76 0.08 2.17 2.01 -1.26 -0.83 115.64 121.29 1u9c s THR 148 Ca 0.26 1.90 -0.03 0.00 0.31 0.00 0.00 61.69 64.13 1u9c s THR 148 Cb -0.12 -4.26 -0.03 0.00 0.01 0.00 0.00 72.50 68.10 1u9c s THR 148 CO 0.17 -0.08 0.06 0.68 -0.69 0.00 0.00 174.62 174.76 1u9c s VAL 149 N 2.67 0.17 0.31 3.82 -7.23 -0.77 -4.46 120.40 114.91 1u9c s VAL 149 Ca 0.43 -1.63 0.03 0.00 -1.81 0.00 0.00 61.98 58.99 1u9c s VAL 149 Cb -0.16 -1.57 -0.06 0.00 0.56 0.00 0.00 36.38 35.15 1u9c s VAL 149 CO 0.10 -0.79 0.08 0.28 -0.31 0.00 0.00 175.10 174.46 1u9c s THR 150 N -3.93 0.91 0.19 5.32 -1.32 -1.26 -1.08 115.64 114.47 1u9c s THR 150 Ca 0.10 -2.00 -0.21 0.00 -1.21 0.00 0.00 61.69 58.37 1u9c s THR 150 Cb 0.07 -2.71 0.07 0.00 -1.51 0.00 0.00 72.50 68.42 1u9c s THR 150 CO -0.08 0.00 0.99 -1.54 -2.21 0.00 0.00 174.62 171.78 1u9c n SER 151 N -0.65 -1.70 -4.67 8.08 3.41 -1.26 -4.46 113.62 112.37 1u9c n SER 151 Ca -0.02 -1.90 -0.46 0.00 -0.26 0.00 0.00 58.87 56.23 1u9c n SER 151 Cb 0.66 2.76 -0.04 0.00 -0.26 0.00 0.00 64.21 67.34 1u9c n SER 151 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1u9c n PHE 152 N -0.70 2.26 -2.70 7.33 7.35 -0.94 -4.66 117.46 125.41 1u9c n PHE 152 Ca -0.02 0.28 -0.27 0.00 -0.76 0.00 0.00 57.45 56.67 1u9c n PHE 152 Cb 0.56 -2.54 -0.00 0.00 0.35 0.00 0.00 39.48 37.85 1u9c n PHE 152 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1u9c s THR 153 N 0.91 4.92 0.30 -2.13 -4.23 -1.26 -4.06 115.64 110.08 1u9c s THR 153 Ca 0.79 0.18 -0.02 0.00 -1.18 0.00 0.00 61.69 61.46 1u9c s THR 153 Cb -0.69 -3.86 0.25 0.00 1.34 0.00 0.00 72.50 69.55 1u9c s THR 153 CO 0.38 -0.81 1.95 0.44 -0.54 0.00 0.00 174.62 176.04 1u9c h ASP 154 N 0.32 0.93 -0.52 3.99 3.32 -1.97 0.17 116.42 122.65 1u9c h ASP 154 Ca -0.47 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1u9c h ASP 154 Cb 1.20 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.50 1u9c h ASP 154 CO 0.62 0.69 0.34 -0.08 -1.72 0.00 0.00 179.24 179.10 1u9c h GLU 155 N 1.08 0.69 -0.56 3.56 4.81 -1.99 0.14 114.58 122.32 1u9c h GLU 155 Ca 0.29 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.42 1u9c h GLU 155 Cb -0.08 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.12 1u9c h GLU 155 CO -0.06 0.46 0.14 0.93 -0.73 0.00 0.00 179.01 179.75 1u9c h GLU 156 N 0.71 0.85 -0.45 1.92 5.08 -1.77 -1.25 114.58 119.67 1u9c h GLU 156 Ca 0.19 -0.17 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 1u9c h GLU 156 Cb -0.08 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1u9c h GLU 156 CO -0.04 0.76 -0.20 1.49 -1.00 0.00 0.00 179.01 180.03 1u9c h GLU 157 N 0.82 0.92 -0.51 2.33 4.57 -0.61 -1.94 114.58 120.16 1u9c h GLU 157 Ca 0.18 -0.40 -0.09 0.00 -1.18 0.00 0.00 59.36 57.88 1u9c h GLU 157 Cb 0.29 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 1u9c h GLU 157 CO -0.00 1.05 -0.04 0.00 -1.18 0.00 0.00 179.01 178.84 1u9c h ARG 158 N 0.76 0.89 -0.52 1.92 3.08 -0.81 -2.46 114.38 117.24 1u9c h ARG 158 Ca 0.10 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 1u9c h ARG 158 Cb 0.76 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1u9c h ARG 158 CO 0.06 0.92 0.25 1.49 -1.07 0.00 0.00 179.97 181.62 1u9c h GLU 159 N 0.82 0.75 0.00 0.04 4.81 -0.90 -2.43 114.58 117.67 1u9c h GLU 159 Ca 0.15 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1u9c h GLU 159 Cb 0.55 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 1u9c h GLU 159 CO 0.03 0.62 -0.12 -0.39 -0.73 0.00 0.00 179.01 178.42 1u9c h VAL 160 N 0.69 0.31 0.00 0.32 -1.51 -1.32 -3.47 116.25 111.28 1u9c h VAL 160 Ca 0.18 -0.86 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 1u9c h VAL 160 Cb 0.12 1.67 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 1u9c h VAL 160 CO -0.02 0.12 0.00 0.61 -1.23 0.00 0.00 177.57 177.05 1u9c n GLY 161 N 0.13 0.78 0.53 5.19 0.00 -0.91 -4.96 105.19 105.94 1u9c n GLY 161 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1u9c n GLY 161 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u9c n LEU 162 N 0.00 2.03 -0.29 0.99 4.77 -1.13 -4.38 117.00 118.99 1u9c n LEU 162 Ca 0.00 -0.86 0.10 0.00 -0.03 0.00 0.00 56.01 55.22 1u9c n LEU 162 Cb 0.00 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.33 1u9c n LEU 162 CO 0.00 0.37 0.88 -2.24 -1.33 0.00 0.00 177.39 175.07 1u9c h ASP 163 N 2.58 -0.19 0.35 -1.43 2.03 -1.88 -0.69 116.42 117.19 1u9c h ASP 163 Ca 0.00 0.21 -0.01 0.00 -0.73 0.00 0.00 57.03 56.50 1u9c h ASP 163 Cb 0.65 0.33 -0.00 0.00 -0.83 0.00 0.00 39.33 39.48 1u9c h ASP 163 CO 0.00 -0.19 -0.03 -0.37 -1.03 0.00 0.00 179.24 177.62 1u9c h VAL 164 N 0.14 0.16 -0.35 4.15 -1.51 -1.91 -2.58 116.25 114.34 1u9c h VAL 164 Ca 0.51 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 65.73 1u9c h VAL 164 Cb 0.99 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 1u9c h VAL 164 CO -0.70 0.03 0.00 1.41 -1.23 0.00 0.00 177.57 177.08 1u9c n HIS 165 N -3.25 0.45 -3.13 5.19 8.25 -0.30 -4.95 115.22 117.48 1u9c n HIS 165 Ca -0.02 -0.25 -0.37 0.00 -0.26 0.00 0.00 57.72 56.82 1u9c n HIS 165 Cb 0.17 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.22 1u9c n HIS 165 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1u9c s MET 166 N -1.41 4.29 0.52 -0.41 -1.94 -0.98 -4.96 119.30 114.41 1u9c s MET 166 Ca 0.35 0.87 0.28 0.00 -1.71 0.00 0.00 55.69 55.48 1u9c s MET 166 Cb 0.21 -3.05 1.43 0.00 2.01 0.00 0.00 34.83 35.43 1u9c s MET 166 CO 0.29 0.49 2.06 -1.00 -0.01 0.00 0.00 175.02 176.85 1u9c h PRO 167 N 3.87 0.00 -2.75 2.03 0.13 -1.88 -3.45 132.00 129.95 1u9c h PRO 167 Ca -0.48 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.72 1u9c h PRO 167 Cb 1.20 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.23 1u9c h PRO 167 CO 0.65 0.12 0.32 -0.59 -0.23 0.00 0.00 178.00 178.27 1u9c s PHE 168 N -4.15 -0.32 -0.15 1.56 -0.12 -1.26 -5.15 117.98 108.38 1u9c s PHE 168 Ca -0.03 0.04 -0.15 0.00 -0.05 0.00 0.00 56.93 56.74 1u9c s PHE 168 Cb 0.13 0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 43.09 1u9c s PHE 168 CO 0.58 -0.91 0.34 -0.51 -0.05 0.00 0.00 175.22 174.68 1u9c s LEU 169 N -2.79 4.24 0.02 -1.99 1.43 -1.26 -5.01 118.68 113.33 1u9c s LEU 169 Ca 0.07 0.58 -0.25 0.00 -1.03 0.00 0.00 54.13 53.49 1u9c s LEU 169 Cb -0.03 -2.45 -0.18 0.00 0.03 0.00 0.00 46.19 43.56 1u9c s LEU 169 CO -0.04 0.07 1.43 0.25 0.23 0.00 0.00 176.35 178.29 1u9c h LEU 170 N 6.74 -0.09 -0.22 1.79 5.85 -1.96 -0.25 115.31 127.17 1u9c h LEU 170 Ca -0.41 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.08 1u9c h LEU 170 Cb 1.17 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 1u9c h LEU 170 CO 0.76 0.20 0.09 -0.08 -0.34 0.00 0.00 178.44 179.07 1u9c h GLU 171 N -0.39 0.20 -0.75 1.25 4.81 -1.93 0.61 114.58 118.38 1u9c h GLU 171 Ca -0.01 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.26 1u9c h GLU 171 Cb 0.34 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.61 1u9c h GLU 171 CO 0.02 0.13 0.45 0.77 -0.73 0.00 0.00 179.01 179.65 1u9c h SER 172 N 0.21 0.71 -0.23 1.04 0.02 -1.92 -1.03 113.55 112.34 1u9c h SER 172 Ca 0.09 0.02 -0.19 0.00 -0.84 0.00 0.00 61.79 60.87 1u9c h SER 172 Cb 0.04 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1u9c h SER 172 CO -0.08 0.46 -0.59 0.74 -1.14 0.00 0.00 176.83 176.23 1u9c h THR 173 N 0.84 1.29 -0.74 -2.27 2.02 -0.50 -0.82 112.91 112.71 1u9c h THR 173 Ca 0.33 -1.78 0.01 0.00 0.77 0.00 0.00 66.41 65.73 1u9c h THR 173 Cb 0.14 1.79 -0.04 0.00 -1.74 0.00 0.00 68.15 68.30 1u9c h THR 173 CO -0.16 0.57 0.49 -0.07 0.37 0.00 0.00 175.52 176.72 1u9c h LEU 174 N 0.56 0.85 -0.61 2.58 3.38 -0.57 0.66 115.31 122.15 1u9c h LEU 174 Ca -0.01 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1u9c h LEU 174 Cb 1.20 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1u9c h LEU 174 CO 0.13 0.61 0.26 -0.09 0.09 0.00 0.00 178.44 179.43 1u9c h ARG 175 N 1.00 0.91 -0.58 1.13 2.43 -1.09 -1.53 114.38 116.65 1u9c h ARG 175 Ca 0.27 -0.16 0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1u9c h ARG 175 Cb -0.10 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.26 1u9c h ARG 175 CO -0.06 0.76 0.38 1.25 -1.51 0.00 0.00 179.97 180.79 1u9c h LEU 176 N 0.85 0.62 0.00 3.80 5.85 -0.71 -0.41 115.31 125.31 1u9c h LEU 176 Ca 0.21 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1u9c h LEU 176 Cb 0.18 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1u9c h LEU 176 CO -0.02 0.44 0.00 0.54 -0.34 0.00 0.00 178.44 179.06 1u9c n ARG 177 N -4.46 0.49 0.00 1.25 5.12 0.19 -4.89 116.66 114.36 1u9c n ARG 177 Ca 0.06 0.03 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 1u9c n ARG 177 Cb 0.10 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.90 1u9c n ARG 177 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1u9c n GLY 178 N 0.79 1.00 3.79 -0.13 0.00 -0.16 -4.22 105.19 106.25 1u9c n GLY 178 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1u9c n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u9c s ALA 179 N -2.00 2.96 -0.58 4.61 0.00 -0.60 -0.67 121.76 125.48 1u9c s ALA 179 Ca 0.00 0.70 -0.20 0.00 0.00 0.00 0.00 51.96 52.47 1u9c s ALA 179 Cb 0.00 -3.28 0.09 0.00 0.00 0.00 0.00 23.12 19.92 1u9c s ALA 179 CO 0.00 -0.34 0.73 -0.80 0.00 0.00 0.00 175.76 175.35 1u9c s ASN 180 N -1.71 6.19 0.17 0.00 0.01 -0.01 -4.41 114.94 115.19 1u9c s ASN 180 Ca 0.63 -1.22 -0.22 0.00 -0.71 0.00 0.00 52.86 51.35 1u9c s ASN 180 Cb -0.21 -2.32 -0.08 0.00 0.41 0.00 0.00 41.25 39.06 1u9c s ASN 180 CO 0.25 -1.11 0.71 0.12 -1.51 0.00 0.00 177.10 175.56 1u9c s PHE 181 N 2.90 3.78 0.05 2.20 5.36 -1.26 -1.85 117.98 129.16 1u9c s PHE 181 Ca 0.14 1.45 -0.08 0.00 -0.96 0.00 0.00 56.93 57.49 1u9c s PHE 181 Cb -0.22 -2.64 -0.00 0.00 -0.34 0.00 0.00 43.02 39.82 1u9c s PHE 181 CO 0.08 0.46 0.15 0.54 -1.46 0.00 0.00 175.22 175.00 1u9c s VAL 182 N -1.30 0.13 0.31 3.12 0.11 -0.24 -4.92 120.40 117.61 1u9c s VAL 182 Ca 0.37 -1.03 -0.16 0.00 -2.93 0.00 0.00 61.98 58.23 1u9c s VAL 182 Cb -0.20 -0.98 0.02 0.00 -1.53 0.00 0.00 36.38 33.70 1u9c s VAL 182 CO 0.23 -0.57 0.67 0.00 -3.33 0.00 0.00 175.10 172.10 1u9c s ARG 183 N -2.80 1.88 0.15 1.54 1.70 -1.26 -4.11 118.95 116.05 1u9c s ARG 183 Ca -0.03 -1.24 0.00 0.00 -0.47 0.00 0.00 55.73 53.99 1u9c s ARG 183 Cb -0.00 0.57 -0.00 0.00 -0.57 0.00 0.00 34.95 34.95 1u9c s ARG 183 CO -0.05 -0.85 0.00 0.41 -1.08 0.00 0.00 175.30 173.73 1u9c n GLY 184 N -0.47 4.00 3.60 3.88 0.00 -1.26 -5.11 105.19 109.83 1u9c n GLY 184 Ca -0.04 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.32 1u9c n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u9c n GLY 185 N 3.07 -0.32 3.61 -0.02 0.00 -1.26 -4.85 105.19 105.41 1u9c n GLY 185 Ca -0.06 0.08 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 1u9c n GLY 185 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1u9c n LYS 186 N -0.04 1.46 -1.64 1.61 2.85 -1.26 -1.86 118.16 119.29 1u9c n LYS 186 Ca 0.10 0.51 -0.21 0.00 -1.05 0.00 0.00 58.31 57.67 1u9c n LYS 186 Cb 0.41 -1.92 -0.09 0.00 -0.65 0.00 0.00 35.03 32.78 1u9c n LYS 186 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 1u9c n TRP 187 N 0.33 -0.05 -4.15 5.58 7.02 -1.26 -4.99 117.44 119.92 1u9c n TRP 187 Ca 0.09 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.34 1u9c n TRP 187 Cb 0.32 -3.50 -0.06 0.00 -2.42 0.00 0.00 31.31 25.66 1u9c n TRP 187 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1u9c s THR 188 N -2.78 4.18 -0.25 -0.99 -4.23 -0.78 -4.87 115.64 105.93 1u9c s THR 188 Ca 0.00 -1.43 -0.29 0.00 -1.18 0.00 0.00 61.69 58.79 1u9c s THR 188 Cb 0.00 -3.21 -0.03 0.00 1.34 0.00 0.00 72.50 70.61 1u9c s THR 188 CO 0.00 -0.27 1.71 -0.62 -0.54 0.00 0.00 174.62 174.90 1u9c s ASP 189 N -3.53 6.19 -0.08 3.99 2.15 -1.26 -4.62 116.67 119.51 1u9c s ASP 189 Ca 0.31 1.55 -0.03 0.00 0.43 0.00 0.00 52.55 54.82 1u9c s ASP 189 Cb -0.08 -2.53 0.05 0.00 -0.30 0.00 0.00 42.92 40.05 1u9c s ASP 189 CO 0.23 -1.42 0.15 0.12 -0.17 0.00 0.00 175.17 174.08 1u9c s PHE 190 N 5.82 -0.16 0.05 -5.34 5.36 -1.26 -4.96 117.98 117.49 1u9c s PHE 190 Ca 0.76 0.58 -0.01 0.00 -0.96 0.00 0.00 56.93 57.29 1u9c s PHE 190 Cb -0.25 -0.27 -0.04 0.00 -0.34 0.00 0.00 43.02 42.13 1u9c s PHE 190 CO 0.31 -0.26 -0.03 -1.54 -1.46 0.00 0.00 175.22 172.24 1u9c s SER 191 N 2.21 0.51 0.00 6.13 1.04 -1.26 -1.56 113.70 120.78 1u9c s SER 191 Ca 0.02 -0.99 0.01 0.00 0.48 0.00 0.00 55.95 55.47 1u9c s SER 191 Cb -0.12 0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.19 1u9c s SER 191 CO -0.06 -0.59 -0.03 0.54 0.98 0.00 0.00 173.24 174.08 1u9c s VAL 192 N -3.88 0.26 -0.15 5.02 0.11 0.73 -5.00 120.40 117.49 1u9c s VAL 192 Ca 0.07 -0.30 -0.01 0.00 -2.93 0.00 0.00 61.98 58.80 1u9c s VAL 192 Cb 0.08 -0.25 -0.01 0.00 -1.53 0.00 0.00 36.38 34.66 1u9c s VAL 192 CO -0.10 -0.03 -0.10 -0.60 -3.33 0.00 0.00 175.10 170.94 1u9c s ARG 193 N -0.36 3.42 -0.44 1.54 3.52 -1.26 -1.52 118.95 123.85 1u9c s ARG 193 Ca -0.02 -0.65 0.03 0.00 -0.13 0.00 0.00 55.73 54.96 1u9c s ARG 193 Cb -0.03 -2.76 0.13 0.00 -1.56 0.00 0.00 34.95 30.73 1u9c s ARG 193 CO -0.00 0.12 0.21 0.34 -0.81 0.00 0.00 175.30 175.16 1u9c s ASP 194 N 0.61 4.01 1.82 -2.12 -1.08 -0.17 -5.02 116.67 114.71 1u9c s ASP 194 Ca -0.06 -2.62 0.00 0.00 -0.52 0.00 0.00 52.55 49.35 1u9c s ASP 194 Cb -0.15 -1.27 0.00 0.00 -1.46 0.00 0.00 42.92 40.03 1u9c s ASP 194 CO 0.03 -0.28 0.00 0.61 0.52 0.00 0.00 175.17 176.05 1u9c n GLY 195 N 3.59 3.97 0.09 2.66 0.00 -1.26 -1.88 105.19 112.35 1u9c n GLY 195 Ca 0.06 0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.25 1u9c n GLY 195 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u9c n ASN 196 N 8.83 0.41 -4.37 1.61 3.02 -1.26 -4.80 115.26 118.70 1u9c n ASN 196 Ca 0.00 -0.44 -0.35 0.00 -0.03 0.00 0.00 54.58 53.76 1u9c n ASN 196 Cb 0.00 -0.10 -0.13 0.00 -0.61 0.00 0.00 39.78 38.94 1u9c n ASN 196 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1u9c s LEU 197 N -2.56 3.10 -0.08 3.41 2.96 -0.79 -1.28 118.68 123.45 1u9c s LEU 197 Ca 0.26 -0.31 0.04 0.00 -0.22 0.00 0.00 54.13 53.89 1u9c s LEU 197 Cb 0.20 -1.81 0.00 0.00 0.50 0.00 0.00 46.19 45.08 1u9c s LEU 197 CO 0.49 -0.02 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.69 1u9c s ILE 198 N 1.49 1.62 0.04 6.68 1.01 -0.02 -1.00 121.20 131.02 1u9c s ILE 198 Ca 0.06 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.94 1u9c s ILE 198 Cb -0.15 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 1u9c s ILE 198 CO -0.01 0.46 -0.05 0.42 0.00 0.00 0.00 174.94 175.77 1u9c s THR 199 N 0.39 0.32 0.08 2.92 -4.23 -0.57 -1.60 115.64 112.94 1u9c s THR 199 Ca -0.14 -1.31 0.04 0.00 -1.18 0.00 0.00 61.69 59.10 1u9c s THR 199 Cb -0.16 -0.85 -0.03 0.00 1.34 0.00 0.00 72.50 72.80 1u9c s THR 199 CO 0.06 -0.64 -0.12 -0.83 -0.54 0.00 0.00 174.62 172.54 1u9c s GLY 200 N -2.06 0.81 -0.01 3.99 0.00 -0.32 -0.19 107.32 109.53 1u9c s GLY 200 Ca -0.05 -1.03 -0.03 0.00 0.00 0.00 0.00 44.72 43.61 1u9c s GLY 200 CO -0.03 -1.08 0.80 -1.61 0.00 0.00 0.00 173.10 171.18 1u9c h GLN 201 N 4.07 0.24 0.00 2.90 4.15 -1.55 -3.38 115.11 121.54 1u9c h GLN 201 Ca -0.39 -0.41 0.00 0.00 0.77 0.00 0.00 58.65 58.63 1u9c h GLN 201 Cb 1.19 0.15 0.00 0.00 0.21 0.00 0.00 27.48 29.04 1u9c h GLN 201 CO 0.45 1.09 0.31 0.27 -1.93 0.00 0.00 178.83 179.01 1u9c n ASN 202 N -3.43 -2.05 -0.08 -0.69 0.23 -1.26 -2.21 115.26 105.76 1u9c n ASN 202 Ca -0.18 -2.37 0.08 0.00 -0.53 0.00 0.00 54.58 51.58 1u9c n ASN 202 Cb 1.04 3.40 0.43 0.00 -2.08 0.00 0.00 39.78 42.57 1u9c n ASN 202 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 1u9c h PRO 203 N 0.00 0.54 0.00 -0.53 0.11 -1.96 0.93 132.00 131.10 1u9c h PRO 203 Ca -0.30 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1u9c h PRO 203 Cb 1.14 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1u9c h PRO 203 CO 0.38 0.36 0.00 1.04 -0.21 0.00 0.00 178.00 179.57 1u9c n GLN 204 N -4.47 0.06 -0.08 1.05 3.00 -1.26 -2.18 117.38 113.50 1u9c n GLN 204 Ca 0.08 0.37 0.12 0.00 -0.01 0.00 0.00 57.00 57.56 1u9c n GLN 204 Cb 0.22 -1.64 0.26 0.00 0.00 0.00 0.00 30.24 29.09 1u9c n GLN 204 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1u9c n SER 205 N -1.76 2.64 -0.03 1.08 7.64 0.32 -4.28 113.62 119.23 1u9c n SER 205 Ca 0.02 -1.86 -0.10 0.00 1.01 0.00 0.00 58.87 57.94 1u9c n SER 205 Cb 0.14 -0.10 -0.04 0.00 -1.01 0.00 0.00 64.21 63.20 1u9c n SER 205 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1u9c h SER 206 N 3.76 0.20 -0.36 6.43 0.02 -1.51 -1.70 113.55 120.39 1u9c h SER 206 Ca 0.00 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1u9c h SER 206 Cb 0.81 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 1u9c h SER 206 CO 0.00 0.16 0.13 -0.09 -1.14 0.00 0.00 176.83 175.89 1u9c h ARG 207 N 0.22 0.55 -0.20 3.45 2.43 -1.83 -2.03 114.38 116.97 1u9c h ARG 207 Ca 0.06 -0.11 -0.10 0.00 -0.81 0.00 0.00 59.98 59.02 1u9c h ARG 207 Cb -0.01 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1u9c h ARG 207 CO -0.01 0.55 -0.31 0.66 -1.51 0.00 0.00 179.97 179.35 1u9c h SER 208 N 0.43 0.40 -0.04 -3.80 4.64 -1.84 0.10 113.55 113.43 1u9c h SER 208 Ca 0.12 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1u9c h SER 208 Cb 0.22 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1u9c h SER 208 CO -0.01 0.70 0.01 0.74 -0.87 0.00 0.00 176.83 177.40 1u9c h THR 209 N 0.34 1.17 -0.89 2.95 2.02 -1.19 -1.53 112.91 115.78 1u9c h THR 209 Ca 0.05 -0.50 0.04 0.00 0.77 0.00 0.00 66.41 66.76 1u9c h THR 209 Cb 0.72 1.43 -0.05 0.00 -1.74 0.00 0.00 68.15 68.51 1u9c h THR 209 CO 0.05 0.14 0.58 0.00 0.37 0.00 0.00 175.52 176.67 1u9c h ALA 210 N 0.81 1.45 -0.01 6.16 0.00 -0.81 -2.41 119.26 124.45 1u9c h ALA 210 Ca 0.01 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1u9c h ALA 210 Cb 0.21 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1u9c h ALA 210 CO -0.00 0.46 -0.48 0.93 0.00 0.00 0.00 179.25 180.16 1u9c h GLU 211 N 1.10 0.04 -0.67 0.00 4.39 -0.65 -1.34 114.58 117.45 1u9c h GLU 211 Ca 0.36 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.98 1u9c h GLU 211 Cb 0.04 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 1u9c h GLU 211 CO -0.11 0.51 0.19 0.87 -1.16 0.00 0.00 179.01 179.31 1u9c h LYS 212 N 0.03 1.04 -0.22 2.33 1.57 -0.83 -1.15 116.57 119.33 1u9c h LYS 212 Ca -0.00 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1u9c h LYS 212 Cb 0.87 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1u9c h LYS 212 CO 0.06 0.90 0.13 0.28 -0.57 0.00 0.00 179.45 180.26 1u9c h VAL 213 N 1.00 1.10 -0.59 0.50 2.07 -0.93 -1.15 116.25 118.24 1u9c h VAL 213 Ca 0.22 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.53 1u9c h VAL 213 Cb 0.31 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 1u9c h VAL 213 CO -0.00 0.09 0.33 0.58 0.02 0.00 0.00 177.57 178.59 1u9c h VAL 214 N 0.27 1.00 -0.38 2.57 2.07 -1.11 -0.54 116.25 120.13 1u9c h VAL 214 Ca 0.08 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1u9c h VAL 214 Cb 0.04 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1u9c h VAL 214 CO -0.01 0.12 0.20 0.00 0.02 0.00 0.00 177.57 177.89 1u9c h ALA 215 N 1.29 0.48 -0.81 1.67 0.00 -0.99 0.48 119.26 121.39 1u9c h ALA 215 Ca 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1u9c h ALA 215 Cb 0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1u9c h ALA 215 CO -0.15 0.03 0.46 0.00 0.00 0.00 0.00 179.25 179.59 1u9c h ALA 216 N 1.05 1.29 -0.30 0.00 0.00 -0.82 -2.40 119.26 118.08 1u9c h ALA 216 Ca 0.13 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1u9c h ALA 216 Cb 0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1u9c h ALA 216 CO -0.02 0.59 -0.36 -0.07 0.00 0.00 0.00 179.25 179.39 1u9c h LEU 217 N 1.13 0.71 -1.38 0.00 3.38 -0.65 -2.97 115.31 115.53 1u9c h LEU 217 Ca 0.29 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1u9c h LEU 217 Cb -0.01 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 1u9c h LEU 217 CO -0.05 1.01 0.45 -0.33 0.09 0.00 0.00 178.44 179.60 1u9c h GLU 218 N 0.57 0.78 0.00 1.13 5.08 -0.52 -1.16 114.58 120.45 1u9c h GLU 218 Ca 0.06 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1u9c h GLU 218 Cb 0.88 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 1u9c h GLU 218 CO 0.08 0.52 -0.06 0.93 -1.00 0.00 0.00 179.01 179.48 1u9c h GLU 219 N 0.81 0.00 -0.41 2.33 5.08 -1.27 -3.03 114.58 118.08 1u9c h GLU 219 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1u9c h GLU 219 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1u9c h GLU 219 CO -0.08 0.06 0.00 0.54 -1.00 0.00 0.00 179.01 178.53 1u9c n ARG 220 N -3.60 3.23 0.00 2.33 1.74 -0.45 -5.13 116.66 114.78 1u9c n ARG 220 Ca -0.02 -2.62 0.05 0.00 -0.77 0.00 0.00 57.85 54.48 1u9c n ARG 220 Cb 0.16 -1.70 0.29 0.00 -1.02 0.00 0.00 32.46 30.20 1u9c n ARG 220 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50