#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uj2 s PRO 20 N 0.00 3.05 -0.39 3.49 0.04 -1.26 -4.96 135.00 134.97 1uj2 s PRO 20 Ca 0.00 2.10 -0.17 0.00 0.04 0.00 0.00 61.00 62.97 1uj2 s PRO 20 Cb 0.00 -2.14 0.01 0.00 0.04 0.00 0.00 34.50 32.41 1uj2 s PRO 20 CO 0.00 -1.22 0.43 0.12 0.04 0.00 0.00 177.00 176.37 1uj2 s PHE 21 N -1.38 3.18 -0.14 0.56 5.36 -0.06 -4.97 117.98 120.53 1uj2 s PHE 21 Ca 0.74 -0.19 -0.13 0.00 -0.96 0.00 0.00 56.93 56.38 1uj2 s PHE 21 Cb -0.37 -2.85 -0.05 0.00 -0.34 0.00 0.00 43.02 39.41 1uj2 s PHE 21 CO 0.43 -0.61 0.30 -0.51 -1.46 0.00 0.00 175.22 173.37 1uj2 s LEU 22 N 2.16 4.28 -0.19 6.12 1.02 -1.26 -1.31 118.68 129.49 1uj2 s LEU 22 Ca 0.13 0.56 -0.00 0.00 0.02 0.00 0.00 54.13 54.84 1uj2 s LEU 22 Cb -0.17 -2.38 0.01 0.00 0.02 0.00 0.00 46.19 43.68 1uj2 s LEU 22 CO 0.13 0.15 -0.15 -0.63 0.02 0.00 0.00 176.35 175.87 1uj2 s ILE 23 N 0.18 2.43 0.02 -0.59 1.01 0.94 -0.74 121.20 124.46 1uj2 s ILE 23 Ca 0.17 -0.83 -0.14 0.00 0.00 0.00 0.00 60.65 59.85 1uj2 s ILE 23 Cb -0.13 -2.06 -0.06 0.00 0.01 0.00 0.00 42.46 40.22 1uj2 s ILE 23 CO 0.05 0.50 0.42 -0.83 0.00 0.00 0.00 174.94 175.08 1uj2 s GLY 24 N 1.34 2.47 -0.08 6.18 0.00 0.04 -1.11 107.32 116.15 1uj2 s GLY 24 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.54 1uj2 s GLY 24 CO -0.10 0.11 -0.06 0.14 0.00 0.00 0.00 173.10 173.19 1uj2 s VAL 25 N -1.15 0.82 0.29 1.40 1.01 0.40 -0.98 120.40 122.20 1uj2 s VAL 25 Ca 0.26 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1uj2 s VAL 25 Cb -0.16 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 1uj2 s VAL 25 CO 0.15 0.32 0.08 -0.24 0.00 0.00 0.00 175.10 175.41 1uj2 n SER 26 N 4.65 1.43 0.00 3.32 2.88 -0.38 -1.74 113.62 123.78 1uj2 n SER 26 Ca -0.15 -2.50 0.00 0.00 -1.33 0.00 0.00 58.87 54.89 1uj2 n SER 26 Cb 0.50 0.64 0.00 0.00 -0.75 0.00 0.00 64.21 64.60 1uj2 n SER 26 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uj2 n GLY 27 N 0.28 3.70 3.64 0.46 0.00 -1.26 -0.60 105.19 111.41 1uj2 n GLY 27 Ca -0.06 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 1uj2 n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uj2 s GLY 28 N 0.00 1.57 0.34 -0.02 0.00 -1.26 -4.24 107.32 103.71 1uj2 s GLY 28 Ca 0.00 -0.61 -0.28 0.00 0.00 0.00 0.00 44.72 43.82 1uj2 s GLY 28 CO 0.00 0.11 1.32 -0.37 0.00 0.00 0.00 173.10 174.17 1uj2 n THR 29 N -4.43 1.94 -2.13 0.90 5.66 -1.26 -2.26 114.28 112.70 1uj2 n THR 29 Ca 0.08 -0.49 -0.20 0.00 -3.05 0.00 0.00 64.05 60.40 1uj2 n THR 29 Cb 0.58 -1.62 -0.04 0.00 -1.55 0.00 0.00 70.33 67.71 1uj2 n THR 29 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1uj2 n ALA 30 N 0.44 -0.53 0.19 1.79 0.00 -1.26 -4.83 120.51 116.31 1uj2 n ALA 30 Ca 0.05 0.22 0.10 0.00 0.00 0.00 0.00 53.44 53.80 1uj2 n ALA 30 Cb 0.36 -2.08 0.12 0.00 0.00 0.00 0.00 19.45 17.85 1uj2 n ALA 30 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1uj2 h SER 31 N 0.00 0.00 0.00 0.00 4.64 -1.80 -3.43 113.55 112.96 1uj2 h SER 31 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1uj2 h SER 31 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1uj2 h SER 31 CO 0.58 0.10 0.00 0.61 -0.87 0.00 0.00 176.83 177.25 1uj2 n GLY 32 N 1.14 1.36 0.27 -0.77 0.00 -1.26 -4.38 105.19 101.54 1uj2 n GLY 32 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 1uj2 n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uj2 h LYS 33 N 0.66 -0.22 -0.39 1.61 1.57 -1.91 0.55 116.57 118.43 1uj2 h LYS 33 Ca 0.00 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1uj2 h LYS 33 Cb 0.00 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1uj2 h LYS 33 CO 0.00 -0.15 0.23 0.77 -0.57 0.00 0.00 179.45 179.73 1uj2 h SER 34 N -0.23 0.48 -0.32 0.86 0.02 -1.97 -1.89 113.55 110.49 1uj2 h SER 34 Ca 0.14 -0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.91 1uj2 h SER 34 Cb 0.44 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 1uj2 h SER 34 CO -0.38 0.41 -0.16 -1.28 -1.14 0.00 0.00 176.83 174.27 1uj2 h SER 35 N 0.51 0.78 -0.09 3.07 0.87 -1.94 -0.52 113.55 116.23 1uj2 h SER 35 Ca 0.14 -0.26 -0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1uj2 h SER 35 Cb 0.03 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 61.77 1uj2 h SER 35 CO -0.02 0.95 0.04 0.58 -0.53 0.00 0.00 176.83 177.85 1uj2 h VAL 36 N 0.69 1.10 -0.61 2.23 2.07 -0.74 -0.90 116.25 120.11 1uj2 h VAL 36 Ca 0.11 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1uj2 h VAL 36 Cb 0.66 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1uj2 h VAL 36 CO 0.05 0.09 0.29 0.00 0.02 0.00 0.00 177.57 178.02 1uj2 h ALA 38 N 1.13 1.05 -0.52 0.00 0.00 -0.97 -2.04 119.26 117.90 1uj2 h ALA 38 Ca 0.21 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1uj2 h ALA 38 Cb 0.12 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1uj2 h ALA 38 CO -0.03 0.62 0.08 -0.22 0.00 0.00 0.00 179.25 179.70 1uj2 h LYS 39 N 1.16 0.86 0.06 0.00 3.64 -0.92 -0.96 116.57 120.41 1uj2 h LYS 39 Ca 0.28 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1uj2 h LYS 39 Cb 0.13 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1uj2 h LYS 39 CO -0.03 0.85 -0.07 0.82 -2.27 0.00 0.00 179.45 178.75 1uj2 h ILE 40 N 0.74 0.84 -0.73 2.00 2.04 -1.06 0.16 117.51 121.51 1uj2 h ILE 40 Ca 0.16 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.98 1uj2 h ILE 40 Cb 0.41 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1uj2 h ILE 40 CO 0.01 0.00 0.30 0.58 0.00 0.00 0.00 178.15 179.04 1uj2 h VAL 41 N -0.15 1.24 -0.48 1.67 2.07 -1.30 -1.82 116.25 117.48 1uj2 h VAL 41 Ca 0.01 -0.75 -0.07 0.00 0.82 0.00 0.00 66.70 66.71 1uj2 h VAL 41 Cb 0.15 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1uj2 h VAL 41 CO -0.03 0.31 0.01 -0.61 0.02 0.00 0.00 177.57 177.27 1uj2 h GLN 42 N 1.05 0.85 0.00 1.57 -0.00 -0.88 -2.34 115.11 115.36 1uj2 h GLN 42 Ca 0.25 -0.26 -0.00 0.00 -0.00 0.00 0.00 58.65 58.63 1uj2 h GLN 42 Cb 0.18 -0.08 -0.00 0.00 0.00 0.00 0.00 27.48 27.58 1uj2 h GLN 42 CO -0.02 0.88 -0.02 -0.07 0.00 0.00 0.00 178.83 179.60 1uj2 h LEU 43 N 0.71 0.00 -0.72 -2.39 3.38 -0.68 -1.63 115.31 113.97 1uj2 h LEU 43 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1uj2 h LEU 43 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1uj2 h LEU 43 CO 0.02 0.02 0.00 0.18 0.09 0.00 0.00 178.44 178.75 1uj2 n LEU 44 N -3.14 1.11 -0.69 1.67 4.77 -0.71 -4.92 117.00 115.09 1uj2 n LEU 44 Ca -0.00 -0.41 -0.09 0.00 -0.03 0.00 0.00 56.01 55.47 1uj2 n LEU 44 Cb 0.27 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.29 1uj2 n LEU 44 CO 0.27 0.21 -0.09 0.61 -1.33 0.00 0.00 177.39 177.06 1uj2 n GLY 45 N 1.08 1.06 0.19 -0.72 0.00 -0.61 -4.92 105.19 101.26 1uj2 n GLY 45 Ca 0.18 -0.53 0.06 0.00 0.00 0.00 0.00 46.02 45.73 1uj2 n GLY 45 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1uj2 h GLN 46 N 0.05 0.00 0.00 1.61 1.08 -1.64 -3.11 115.11 113.10 1uj2 h GLN 46 Ca -0.18 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 1uj2 h GLN 46 Cb 0.63 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 1uj2 h GLN 46 CO 0.27 0.35 0.00 0.09 -0.95 0.00 0.00 178.83 178.59 1uj2 n ASN 47 N -3.36 0.00 -0.00 1.46 3.02 -1.26 -1.92 115.26 113.20 1uj2 n ASN 47 Ca 0.01 -0.15 0.06 0.00 -0.03 0.00 0.00 54.58 54.47 1uj2 n ASN 47 Cb 0.56 -0.14 -0.09 0.00 -0.61 0.00 0.00 39.78 39.50 1uj2 n ASN 47 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1uj2 n GLU 48 N -1.14 1.10 -2.53 3.52 4.71 -1.18 -5.01 120.64 120.10 1uj2 n GLU 48 Ca 0.08 -0.08 -0.36 0.00 -0.01 0.00 0.00 57.16 56.78 1uj2 n GLU 48 Cb 0.07 -1.22 -0.04 0.00 -1.01 0.00 0.00 31.44 29.24 1uj2 n GLU 48 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1uj2 s VAL 49 N -2.64 3.69 0.23 2.62 1.01 -0.81 -4.98 120.40 119.53 1uj2 s VAL 49 Ca -0.02 1.29 -0.32 0.00 0.00 0.00 0.00 61.98 62.93 1uj2 s VAL 49 Cb 0.08 -3.66 -0.12 0.00 0.00 0.00 0.00 36.38 32.68 1uj2 s VAL 49 CO 0.49 0.00 1.66 -0.67 0.00 0.00 0.00 175.10 176.59 1uj2 n ASP 50 N -0.11 3.85 -0.34 3.32 -0.08 -1.26 -4.77 116.55 117.16 1uj2 n ASP 50 Ca 0.05 1.09 0.23 0.00 -1.51 0.00 0.00 54.79 54.66 1uj2 n ASP 50 Cb 0.50 -1.57 0.47 0.00 2.34 0.00 0.00 41.12 42.86 1uj2 n ASP 50 CO 0.00 0.00 0.00 0.10 0.12 0.00 0.00 177.20 177.42 1uj2 h TYR 51 N 6.01 0.89 0.00 -0.67 -0.00 -1.94 0.63 116.97 121.89 1uj2 h TYR 51 Ca -0.44 0.03 0.00 0.00 0.00 0.00 0.00 58.73 58.32 1uj2 h TYR 51 Cb 1.21 -0.24 0.00 0.00 0.00 0.00 0.00 36.73 37.70 1uj2 h TYR 51 CO 0.62 -0.11 0.00 0.00 -0.00 0.00 0.00 178.16 178.67 1uj2 h ARG 52 N 0.37 0.00 0.00 0.10 3.08 -1.97 -3.24 114.38 112.72 1uj2 h ARG 52 Ca 0.71 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.76 1uj2 h ARG 52 Cb 1.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.69 1uj2 h ARG 52 CO -0.54 0.00 -0.00 1.04 -1.07 0.00 0.00 179.97 179.40 1uj2 n GLN 53 N -2.36 1.86 -1.87 0.04 6.02 0.21 -4.82 117.38 116.45 1uj2 n GLN 53 Ca 0.03 -2.19 -0.41 0.00 -0.01 0.00 0.00 57.00 54.41 1uj2 n GLN 53 Cb 0.31 -1.32 -0.02 0.00 1.02 0.00 0.00 30.24 30.23 1uj2 n GLN 53 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1uj2 s LYS 54 N -2.21 4.18 -0.01 -1.09 1.02 -0.63 -4.79 119.74 116.21 1uj2 s LYS 54 Ca 0.21 2.47 0.16 0.00 0.02 0.00 0.00 55.97 58.83 1uj2 s LYS 54 Cb 0.18 -3.05 -0.19 0.00 -0.52 0.00 0.00 37.83 34.25 1uj2 s LYS 54 CO 0.02 -0.53 0.64 1.04 -0.92 0.00 0.00 175.35 175.60 1uj2 n GLN 55 N 1.92 0.64 -4.33 1.68 6.02 -1.26 -4.54 117.38 117.51 1uj2 n GLN 55 Ca 0.06 0.18 -0.27 0.00 -0.01 0.00 0.00 57.00 56.96 1uj2 n GLN 55 Cb 0.39 -1.74 -0.17 0.00 1.02 0.00 0.00 30.24 29.74 1uj2 n GLN 55 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1uj2 s VAL 56 N -2.81 1.29 0.17 5.09 1.01 -1.26 -0.35 120.40 123.55 1uj2 s VAL 56 Ca -0.05 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.47 1uj2 s VAL 56 Cb 0.08 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 1uj2 s VAL 56 CO 0.82 0.40 -0.11 0.68 0.00 0.00 0.00 175.10 176.90 1uj2 s VAL 57 N 1.10 1.33 -0.10 2.92 -7.23 -0.87 -4.98 120.40 112.57 1uj2 s VAL 57 Ca -0.05 -2.11 0.03 0.00 -1.81 0.00 0.00 61.98 58.04 1uj2 s VAL 57 Cb -0.14 -1.94 -0.01 0.00 0.56 0.00 0.00 36.38 34.85 1uj2 s VAL 57 CO -0.02 -0.68 -0.21 -0.63 -0.31 0.00 0.00 175.10 173.25 1uj2 s ILE 58 N -3.22 2.34 -0.06 -0.62 1.01 -1.26 -0.72 121.20 118.66 1uj2 s ILE 58 Ca 0.19 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 59.96 1uj2 s ILE 58 Cb 0.02 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.55 1uj2 s ILE 58 CO 0.03 0.55 -0.19 -0.76 0.00 0.00 0.00 174.94 174.57 1uj2 s LEU 59 N 0.25 2.45 -0.13 2.97 1.02 0.13 -4.96 118.68 120.42 1uj2 s LEU 59 Ca -0.14 -0.34 -0.03 0.00 0.02 0.00 0.00 54.13 53.64 1uj2 s LEU 59 Cb -0.17 -1.48 -0.03 0.00 0.02 0.00 0.00 46.19 44.53 1uj2 s LEU 59 CO 0.07 0.29 -0.02 -0.44 0.02 0.00 0.00 176.35 176.27 1uj2 s SER 60 N -0.39 5.00 0.50 2.29 0.01 -1.26 -1.16 113.70 118.68 1uj2 s SER 60 Ca 0.04 -0.01 0.16 0.00 1.31 0.00 0.00 55.95 57.44 1uj2 s SER 60 Cb -0.12 -1.62 1.18 0.00 0.21 0.00 0.00 66.02 65.67 1uj2 s SER 60 CO 0.02 0.26 2.10 -0.61 0.41 0.00 0.00 173.24 175.42 1uj2 h GLN 61 N 6.03 0.00 0.00 12.44 4.15 -1.01 -1.27 115.11 135.46 1uj2 h GLN 61 Ca -0.40 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.02 1uj2 h GLN 61 Cb 1.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1uj2 h GLN 61 CO 0.60 0.06 0.00 -0.44 -1.93 0.00 0.00 178.83 177.12 1uj2 h ASP 62 N 0.00 0.00 0.58 -0.69 3.32 -1.94 -0.84 116.42 116.85 1uj2 h ASP 62 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1uj2 h ASP 62 Cb 0.11 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 1uj2 h ASP 62 CO 0.01 0.00 -0.00 0.28 -1.72 0.00 0.00 179.24 177.80 1uj2 h SER 63 N 0.00 0.00 -0.56 6.45 0.02 -1.53 -2.80 113.55 115.13 1uj2 h SER 63 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1uj2 h SER 63 Cb 0.25 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1uj2 h SER 63 CO 0.00 0.00 0.04 0.49 -1.14 0.00 0.00 176.83 176.23 1uj2 n PHE 64 N -3.10 1.99 -1.92 3.45 3.01 -0.32 -4.48 117.46 116.09 1uj2 n PHE 64 Ca -0.01 -0.83 -0.39 0.00 1.01 0.00 0.00 57.45 57.23 1uj2 n PHE 64 Cb 0.21 -0.52 0.01 0.00 -0.01 0.00 0.00 39.48 39.17 1uj2 n PHE 64 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1uj2 s TYR 65 N -2.83 2.57 0.56 1.38 1.51 -1.06 -1.05 117.35 118.43 1uj2 s TYR 65 Ca 0.53 1.37 -0.18 0.00 -1.01 0.00 0.00 57.07 57.78 1uj2 s TYR 65 Cb 0.41 -3.75 -0.05 0.00 -0.11 0.00 0.00 41.96 38.46 1uj2 s TYR 65 CO 0.14 -2.51 1.08 1.03 -1.11 0.00 0.00 175.55 174.19 1uj2 s ARG 66 N -2.54 3.38 0.13 -0.62 0.52 -0.66 -4.77 118.95 114.39 1uj2 s ARG 66 Ca 0.63 1.41 -0.31 0.00 -0.52 0.00 0.00 55.73 56.94 1uj2 s ARG 66 Cb -0.39 -2.03 -0.08 0.00 0.52 0.00 0.00 34.95 32.97 1uj2 s ARG 66 CO 0.49 -0.79 1.36 0.08 0.02 0.00 0.00 175.30 176.46 1uj2 s VAL 67 N -2.08 3.34 0.28 3.52 1.01 -1.26 -4.93 120.40 120.27 1uj2 s VAL 67 Ca 0.68 0.98 -0.11 0.00 0.00 0.00 0.00 61.98 63.53 1uj2 s VAL 67 Cb -0.19 -3.63 -0.08 0.00 0.00 0.00 0.00 36.38 32.48 1uj2 s VAL 67 CO 0.30 0.09 0.63 -0.76 0.00 0.00 0.00 175.10 175.36 1uj2 s LEU 68 N 0.86 4.10 0.75 3.92 1.43 -1.26 -5.08 118.68 123.40 1uj2 s LEU 68 Ca 0.63 1.06 -0.10 0.00 -1.03 0.00 0.00 54.13 54.69 1uj2 s LEU 68 Cb -0.36 -3.85 0.06 0.00 0.03 0.00 0.00 46.19 42.07 1uj2 s LEU 68 CO 0.32 -0.15 1.10 0.42 0.23 0.00 0.00 176.35 178.28 1uj2 s THR 69 N -1.92 2.33 0.22 5.49 -4.23 -1.26 -4.80 115.64 111.47 1uj2 s THR 69 Ca 0.50 -0.03 -0.07 0.00 -1.18 0.00 0.00 61.69 60.90 1uj2 s THR 69 Cb -0.11 -3.08 0.17 0.00 1.34 0.00 0.00 72.50 70.83 1uj2 s THR 69 CO 0.21 -0.09 1.80 0.28 -0.54 0.00 0.00 174.62 176.28 1uj2 h SER 70 N -0.83 0.58 -0.26 3.99 0.02 -1.99 -0.38 113.55 114.67 1uj2 h SER 70 Ca -0.45 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.52 1uj2 h SER 70 Cb 1.31 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 1uj2 h SER 70 CO 0.64 0.35 0.09 -0.33 -1.14 0.00 0.00 176.83 176.44 1uj2 h GLU 71 N 0.71 0.40 -0.49 3.45 5.08 -2.00 -2.10 114.58 119.63 1uj2 h GLU 71 Ca 0.34 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1uj2 h GLU 71 Cb 0.26 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1uj2 h GLU 71 CO -0.21 0.45 0.31 1.96 -1.00 0.00 0.00 179.01 180.52 1uj2 h GLN 72 N 0.26 0.61 -0.87 2.33 4.20 -1.78 -1.56 115.11 118.29 1uj2 h GLN 72 Ca 0.09 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.76 1uj2 h GLN 72 Cb 0.21 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 1uj2 h GLN 72 CO -0.00 0.40 0.57 -0.22 -0.67 0.00 0.00 178.83 178.91 1uj2 h LYS 73 N 0.63 1.16 -0.07 1.46 3.64 -0.98 0.23 116.57 122.63 1uj2 h LYS 73 Ca 0.19 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1uj2 h LYS 73 Cb -0.04 -0.26 -0.04 0.00 -0.41 0.00 0.00 32.23 31.49 1uj2 h LYS 73 CO -0.06 0.78 -0.13 0.00 -2.27 0.00 0.00 179.45 177.76 1uj2 h ALA 74 N 1.31 -0.09 -0.88 5.00 0.00 -0.67 0.39 119.26 124.32 1uj2 h ALA 74 Ca 0.32 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1uj2 h ALA 74 Cb -0.12 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1uj2 h ALA 74 CO -0.07 -0.60 0.52 0.87 0.00 0.00 0.00 179.25 179.97 1uj2 h LYS 75 N -0.19 1.20 -1.00 0.00 1.57 -0.55 -2.19 116.57 115.42 1uj2 h LYS 75 Ca 0.07 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1uj2 h LYS 75 Cb 0.29 -0.25 -0.05 0.00 0.08 0.00 0.00 32.23 32.30 1uj2 h LYS 75 CO -0.19 0.85 0.66 0.00 -0.57 0.00 0.00 179.45 180.20 1uj2 h ALA 76 N 1.35 1.28 0.00 3.86 0.00 0.45 0.12 119.26 126.33 1uj2 h ALA 76 Ca 0.31 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1uj2 h ALA 76 Cb -0.03 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.37 1uj2 h ALA 76 CO -0.06 0.62 -0.01 -0.07 0.00 0.00 0.00 179.25 179.73 1uj2 h LEU 77 N 1.32 0.00 -2.65 0.00 3.38 -0.30 0.28 115.31 117.33 1uj2 h LEU 77 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1uj2 h LEU 77 Cb -0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1uj2 h LEU 77 CO -0.09 0.01 0.00 0.29 0.09 0.00 0.00 178.44 178.74 1uj2 n LYS 78 N -3.71 2.68 -2.14 1.13 5.02 -0.28 -4.93 118.16 115.93 1uj2 n LYS 78 Ca -0.03 -2.59 -0.15 0.00 -2.02 0.00 0.00 58.31 53.52 1uj2 n LYS 78 Cb 0.09 -1.56 -0.02 0.00 -0.02 0.00 0.00 35.03 33.52 1uj2 n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uj2 n GLY 79 N 1.64 0.05 0.81 0.72 0.00 0.09 -4.91 105.19 103.59 1uj2 n GLY 79 Ca 0.24 -0.28 0.08 0.00 0.00 0.00 0.00 46.02 46.06 1uj2 n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1uj2 n GLN 80 N -2.44 2.90 -4.66 1.61 6.02 0.28 -4.13 117.38 116.96 1uj2 n GLN 80 Ca -0.17 -2.62 -0.33 0.00 -0.01 0.00 0.00 57.00 53.87 1uj2 n GLN 80 Cb 0.61 -1.68 -0.12 0.00 1.02 0.00 0.00 30.24 30.07 1uj2 n GLN 80 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1uj2 s PHE 81 N -2.33 2.84 -0.86 1.08 5.36 -1.25 -4.79 117.98 118.05 1uj2 s PHE 81 Ca 0.37 -0.05 -0.20 0.00 -0.96 0.00 0.00 56.93 56.08 1uj2 s PHE 81 Cb 0.28 -1.65 0.11 0.00 -0.34 0.00 0.00 43.02 41.42 1uj2 s PHE 81 CO 0.11 0.30 1.09 1.21 -1.46 0.00 0.00 175.22 176.47 1uj2 s ASN 82 N -0.96 6.49 0.00 6.13 3.84 -1.26 -4.82 114.94 124.35 1uj2 s ASN 82 Ca 0.13 -1.71 0.20 0.00 0.21 0.00 0.00 52.86 51.70 1uj2 s ASN 82 Cb -0.11 -2.41 0.90 0.00 -0.55 0.00 0.00 41.25 39.08 1uj2 s ASN 82 CO 0.03 -1.20 1.62 0.49 -2.79 0.00 0.00 177.10 175.25 1uj2 n PHE 83 N 7.01 0.12 0.67 0.43 3.01 -1.26 -3.87 117.46 123.56 1uj2 n PHE 83 Ca 0.16 -0.06 0.08 0.00 1.01 0.00 0.00 57.45 58.64 1uj2 n PHE 83 Cb 0.48 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 40.00 1uj2 n PHE 83 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1uj2 n ASP 84 N -0.10 2.16 -4.84 4.37 8.00 -1.26 -4.87 116.55 120.00 1uj2 n ASP 84 Ca 0.15 -1.58 -0.36 0.00 0.71 0.00 0.00 54.79 53.72 1uj2 n ASP 84 Cb 0.23 0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 41.38 1uj2 n ASP 84 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1uj2 s HIS 85 N -1.44 3.62 0.45 1.24 2.46 -1.25 -4.77 115.29 115.60 1uj2 s HIS 85 Ca 0.17 1.06 0.24 0.00 0.47 0.00 0.00 55.06 57.00 1uj2 s HIS 85 Cb 0.13 -2.36 1.26 0.00 -0.13 0.00 0.00 32.58 31.47 1uj2 s HIS 85 CO 0.24 0.45 1.81 -1.35 -2.47 0.00 0.00 174.74 173.42 1uj2 h PRO 86 N 3.65 0.24 0.00 2.88 0.11 -1.94 0.52 132.00 137.47 1uj2 h PRO 86 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1uj2 h PRO 86 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1uj2 h PRO 86 CO 0.66 0.16 0.00 -0.44 -0.21 0.00 0.00 178.00 178.16 1uj2 h ASP 87 N 0.25 0.00 1.08 -2.05 3.32 -1.94 -2.36 116.42 114.72 1uj2 h ASP 87 Ca 0.54 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.59 1uj2 h ASP 87 Cb 1.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.19 1uj2 h ASP 87 CO -0.17 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.35 1uj2 h ALA 88 N 2.02 1.00 -2.79 3.45 0.00 -1.14 -3.45 119.26 118.35 1uj2 h ALA 88 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 1uj2 h ALA 88 Cb 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1uj2 h ALA 88 CO 0.00 0.00 -0.53 -0.06 0.00 0.00 0.00 179.25 178.66 1uj2 s PHE 89 N -3.43 3.31 -1.04 0.00 0.40 -0.89 -1.65 117.98 114.68 1uj2 s PHE 89 Ca 0.04 0.08 -0.16 0.00 -0.60 0.00 0.00 56.93 56.29 1uj2 s PHE 89 Cb 0.09 -1.62 0.15 0.00 0.51 0.00 0.00 43.02 42.16 1uj2 s PHE 89 CO 0.51 0.53 1.23 0.34 0.70 0.00 0.00 175.22 178.53 1uj2 s ASP 90 N -2.90 6.82 0.43 1.36 -1.08 -0.22 -4.81 116.67 116.27 1uj2 s ASP 90 Ca 0.32 -2.46 0.20 0.00 -0.52 0.00 0.00 52.55 50.09 1uj2 s ASP 90 Cb -0.11 -2.39 0.97 0.00 -1.46 0.00 0.00 42.92 39.93 1uj2 s ASP 90 CO 0.25 -0.91 1.89 0.78 0.52 0.00 0.00 175.17 177.70 1uj2 h ASN 91 N 8.11 0.00 -0.36 -0.34 2.35 -1.87 -2.27 115.58 121.19 1uj2 h ASN 91 Ca 0.22 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.84 1uj2 h ASN 91 Cb 0.96 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.33 1uj2 h ASN 91 CO 1.14 0.27 -0.28 -0.08 -1.65 0.00 0.00 177.43 176.84 1uj2 h GLU 92 N 0.00 0.83 -0.39 0.81 4.81 -1.99 -1.98 114.58 116.67 1uj2 h GLU 92 Ca -0.00 -0.41 -0.07 0.00 -0.13 0.00 0.00 59.36 58.76 1uj2 h GLU 92 Cb 0.61 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 1uj2 h GLU 92 CO 0.04 1.04 -0.04 1.25 -0.73 0.00 0.00 179.01 180.57 1uj2 h LEU 93 N 0.62 0.60 0.28 1.64 5.85 -1.89 -0.70 115.31 121.72 1uj2 h LEU 93 Ca 0.07 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1uj2 h LEU 93 Cb 0.85 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1uj2 h LEU 93 CO 0.07 0.70 -0.13 0.40 -0.34 0.00 0.00 178.44 179.14 1uj2 h ILE 94 N 0.59 0.76 -0.30 4.05 2.04 -1.26 -0.99 117.51 122.40 1uj2 h ILE 94 Ca 0.12 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1uj2 h ILE 94 Cb 0.43 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1uj2 h ILE 94 CO 0.02 0.05 0.19 0.25 0.00 0.00 0.00 178.15 178.66 1uj2 h LEU 95 N -0.50 0.36 -1.04 1.44 5.85 -1.17 -1.01 115.31 119.23 1uj2 h LEU 95 Ca -0.04 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1uj2 h LEU 95 Cb 0.38 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1uj2 h LEU 95 CO 0.06 0.29 0.22 0.50 -0.34 0.00 0.00 178.44 179.17 1uj2 h LYS 96 N 0.39 0.91 -0.33 1.25 3.64 -1.13 0.39 116.57 121.70 1uj2 h LYS 96 Ca 0.11 -0.16 -0.11 0.00 -1.27 0.00 0.00 60.65 59.22 1uj2 h LYS 96 Cb -0.01 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1uj2 h LYS 96 CO -0.02 0.76 -0.23 1.15 -2.27 0.00 0.00 179.45 178.85 1uj2 h THR 97 N 0.89 1.29 -0.47 1.00 2.02 -0.86 -1.37 112.91 115.41 1uj2 h THR 97 Ca 0.21 -1.37 -0.08 0.00 0.77 0.00 0.00 66.41 65.94 1uj2 h THR 97 Cb 0.21 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 1uj2 h THR 97 CO -0.01 0.45 -0.03 -0.07 0.37 0.00 0.00 175.52 176.22 1uj2 h LEU 98 N 0.51 0.78 -0.37 2.58 3.38 -0.86 -0.90 115.31 120.43 1uj2 h LEU 98 Ca 0.07 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1uj2 h LEU 98 Cb 0.78 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1uj2 h LEU 98 CO 0.06 0.86 0.08 0.11 0.09 0.00 0.00 178.44 179.64 1uj2 h LYS 99 N 0.74 0.60 -0.86 1.13 1.57 -0.80 -1.48 116.57 117.47 1uj2 h LYS 99 Ca 0.14 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1uj2 h LYS 99 Cb 0.50 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.69 1uj2 h LYS 99 CO 0.03 0.65 0.47 0.93 -0.57 0.00 0.00 179.45 180.96 1uj2 h GLU 100 N 0.45 1.20 -0.76 3.15 5.08 -0.98 -2.05 114.58 120.68 1uj2 h GLU 100 Ca 0.11 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1uj2 h GLU 100 Cb 0.33 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1uj2 h GLU 100 CO 0.00 0.89 0.40 0.82 -1.00 0.00 0.00 179.01 180.12 1uj2 h ILE 101 N 1.20 1.24 0.00 3.13 2.04 -0.94 -1.15 117.51 123.02 1uj2 h ILE 101 Ca 0.30 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 1uj2 h ILE 101 Cb 0.04 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1uj2 h ILE 101 CO -0.05 0.27 -0.11 0.71 0.00 0.00 0.00 178.15 178.97 1uj2 h THR 102 N 1.06 0.49 -0.04 -0.27 1.35 -0.72 -0.98 112.91 113.81 1uj2 h THR 102 Ca 0.27 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1uj2 h THR 102 Cb 0.07 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1uj2 h THR 102 CO -0.04 0.11 0.00 -0.62 -0.25 0.00 0.00 175.52 174.72 1uj2 n GLU 103 N -3.56 1.41 -0.95 4.72 1.02 -0.53 -3.67 120.64 119.09 1uj2 n GLU 103 Ca -0.02 -0.60 0.00 0.00 -0.02 0.00 0.00 57.16 56.52 1uj2 n GLU 103 Cb 0.24 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 1uj2 n GLU 103 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uj2 n GLY 104 N 1.07 0.50 3.83 0.62 0.00 -0.37 -5.03 105.19 105.80 1uj2 n GLY 104 Ca 0.19 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1uj2 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uj2 s LYS 105 N -0.48 4.10 -0.01 1.61 -0.14 -0.67 -4.58 119.74 119.58 1uj2 s LYS 105 Ca 0.00 1.08 -0.24 0.00 -1.36 0.00 0.00 55.97 55.45 1uj2 s LYS 105 Cb 0.00 -2.16 -0.05 0.00 -1.68 0.00 0.00 37.83 33.95 1uj2 s LYS 105 CO 0.00 -0.15 0.74 0.99 -0.76 0.00 0.00 175.35 176.18 1uj2 s THR 106 N -2.31 4.89 0.28 2.17 2.01 -1.26 -4.45 115.64 116.97 1uj2 s THR 106 Ca 0.61 1.56 0.07 0.00 0.31 0.00 0.00 61.69 64.24 1uj2 s THR 106 Cb -0.10 -4.09 -0.06 0.00 0.01 0.00 0.00 72.50 68.27 1uj2 s THR 106 CO 0.20 0.31 -0.06 0.68 -0.69 0.00 0.00 174.62 175.05 1uj2 s VAL 107 N 0.37 1.68 -0.11 3.82 -7.23 -0.33 -4.96 120.40 113.64 1uj2 s VAL 107 Ca 0.39 -2.13 0.01 0.00 -1.81 0.00 0.00 61.98 58.43 1uj2 s VAL 107 Cb -0.19 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 1uj2 s VAL 107 CO 0.21 -0.30 -0.14 -1.10 -0.31 0.00 0.00 175.10 173.47 1uj2 s GLN 108 N -3.72 3.22 -0.11 4.82 -0.21 -1.26 0.33 119.66 122.73 1uj2 s GLN 108 Ca 0.30 -0.69 0.03 0.00 0.02 0.00 0.00 55.36 55.01 1uj2 s GLN 108 Cb 0.03 -2.58 -0.01 0.00 1.00 0.00 0.00 33.01 31.46 1uj2 s GLN 108 CO 0.12 0.29 -0.20 0.42 -2.12 0.00 0.00 175.29 173.80 1uj2 s ILE 109 N 0.15 2.45 0.98 1.08 1.01 0.19 -4.97 121.20 122.08 1uj2 s ILE 109 Ca -0.07 -0.88 -0.11 0.00 0.00 0.00 0.00 60.65 59.58 1uj2 s ILE 109 Cb -0.15 -1.97 0.18 0.00 0.01 0.00 0.00 42.46 40.53 1uj2 s ILE 109 CO 0.05 0.55 1.09 -2.16 0.00 0.00 0.00 174.94 174.47 1uj2 s PRO 110 N 0.31 0.54 -0.14 2.79 0.04 -1.26 -1.60 135.00 135.68 1uj2 s PRO 110 Ca -0.15 1.16 0.02 0.00 0.04 0.00 0.00 61.00 62.07 1uj2 s PRO 110 Cb -0.17 -1.70 0.01 0.00 0.04 0.00 0.00 34.50 32.68 1uj2 s PRO 110 CO 0.07 -2.83 -0.21 0.08 0.04 0.00 0.00 177.00 174.15 1uj2 s VAL 111 N -2.67 1.99 -0.05 -0.36 1.01 -1.25 -4.73 120.40 114.34 1uj2 s VAL 111 Ca 0.66 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 1uj2 s VAL 111 Cb -0.22 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1uj2 s VAL 111 CO 0.60 0.54 0.14 -0.47 0.00 0.00 0.00 175.10 175.90 1uj2 s TYR 112 N 0.86 3.50 -0.31 5.22 5.04 -1.26 -0.12 117.35 130.28 1uj2 s TYR 112 Ca -0.06 0.38 -0.02 0.00 -2.44 0.00 0.00 57.07 54.92 1uj2 s TYR 112 Cb -0.15 -1.85 0.05 0.00 0.35 0.00 0.00 41.96 40.36 1uj2 s TYR 112 CO -0.02 0.65 0.02 0.34 -1.34 0.00 0.00 175.55 175.19 1uj2 s ASP 113 N -1.53 4.95 0.43 4.32 -1.08 0.73 -4.90 116.67 119.59 1uj2 s ASP 113 Ca 0.21 -1.28 0.23 0.00 -0.52 0.00 0.00 52.55 51.19 1uj2 s ASP 113 Cb -0.12 -1.73 0.87 0.00 -1.46 0.00 0.00 42.92 40.48 1uj2 s ASP 113 CO 0.12 -0.28 1.81 -0.26 0.52 0.00 0.00 175.17 177.08 1uj2 h PHE 114 N 8.02 0.00 -0.32 -5.34 -1.00 -1.96 0.14 116.94 116.47 1uj2 h PHE 114 Ca -0.21 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.45 1uj2 h PHE 114 Cb 1.06 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.61 1uj2 h PHE 114 CO 0.61 0.24 -0.31 0.28 -1.61 0.00 0.00 178.31 177.52 1uj2 h VAL 115 N 0.00 1.28 -0.12 -0.55 2.07 -1.90 -3.24 116.25 113.79 1uj2 h VAL 115 Ca -0.00 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.08 1uj2 h VAL 115 Cb 0.78 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1uj2 h VAL 115 CO 0.03 0.47 0.00 -1.54 0.02 0.00 0.00 177.57 176.55 1uj2 n SER 116 N -4.08 2.32 -3.72 0.57 3.41 -1.18 -4.99 113.62 105.95 1uj2 n SER 116 Ca -0.01 -1.65 -0.26 0.00 -0.26 0.00 0.00 58.87 56.69 1uj2 n SER 116 Cb 0.47 -0.07 0.06 0.00 -0.26 0.00 0.00 64.21 64.41 1uj2 n SER 116 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1uj2 n HIS 117 N 0.68 -2.59 -3.93 7.33 -0.00 -0.02 -4.97 115.22 111.71 1uj2 n HIS 117 Ca 0.09 0.96 -0.08 0.00 -0.00 0.00 0.00 57.72 58.69 1uj2 n HIS 117 Cb 0.35 -4.60 -0.08 0.00 -0.00 0.00 0.00 29.99 25.66 1uj2 n HIS 117 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1uj2 s SER 118 N -3.41 0.21 0.09 0.41 1.04 -0.86 -4.70 113.70 106.48 1uj2 s SER 118 Ca 0.57 -0.77 -0.30 0.00 0.48 0.00 0.00 55.95 55.93 1uj2 s SER 118 Cb -0.27 0.31 -0.05 0.00 0.10 0.00 0.00 66.02 66.11 1uj2 s SER 118 CO 0.77 -0.71 0.95 -0.60 0.98 0.00 0.00 173.24 174.63 1uj2 s ARG 119 N -3.89 4.66 0.87 4.02 3.52 -1.26 -0.19 118.95 126.68 1uj2 s ARG 119 Ca 0.07 1.42 -0.13 0.00 -0.13 0.00 0.00 55.73 56.96 1uj2 s ARG 119 Cb 0.06 -3.39 0.14 0.00 -1.56 0.00 0.00 34.95 30.20 1uj2 s ARG 119 CO -0.10 0.18 1.22 0.15 -0.81 0.00 0.00 175.30 175.94 1uj2 s LYS 120 N 0.15 1.31 0.01 5.12 1.02 0.83 -4.91 119.74 123.27 1uj2 s LYS 120 Ca 0.47 -0.26 -0.03 0.00 0.02 0.00 0.00 55.97 56.16 1uj2 s LYS 120 Cb -0.23 -1.94 -0.28 0.00 -0.52 0.00 0.00 37.83 34.86 1uj2 s LYS 120 CO 0.29 -1.96 0.87 0.93 -0.92 0.00 0.00 175.35 174.56 1uj2 h GLU 121 N -1.27 0.26 -7.12 1.68 5.08 -1.97 -3.43 114.58 107.81 1uj2 h GLU 121 Ca -0.44 -0.44 -0.53 0.00 -1.00 0.00 0.00 59.36 56.95 1uj2 h GLU 121 Cb 1.28 0.16 0.12 0.00 0.50 0.00 0.00 28.75 30.81 1uj2 h GLU 121 CO 0.50 1.12 0.45 -1.83 -1.00 0.00 0.00 179.01 178.25 1uj2 s GLU 122 N -2.62 2.79 0.11 2.33 1.03 -1.26 -5.00 118.70 116.08 1uj2 s GLU 122 Ca -0.09 1.77 0.01 0.00 0.03 0.00 0.00 54.97 56.69 1uj2 s GLU 122 Cb 0.07 -1.91 -0.04 0.00 -0.80 0.00 0.00 34.13 31.44 1uj2 s GLU 122 CO 0.85 -1.33 -0.03 0.95 -1.33 0.00 0.00 175.26 174.38 1uj2 s THR 123 N -1.75 0.51 -0.21 1.83 -4.23 -1.26 -3.88 115.64 106.65 1uj2 s THR 123 Ca 0.76 -1.92 -0.04 0.00 -1.18 0.00 0.00 61.69 59.31 1uj2 s THR 123 Cb -0.29 -1.81 -0.01 0.00 1.34 0.00 0.00 72.50 71.73 1uj2 s THR 123 CO 0.36 -0.74 -0.04 -0.69 -0.54 0.00 0.00 174.62 172.97 1uj2 s VAL 124 N -3.75 3.48 0.01 2.29 1.01 -0.62 -4.95 120.40 117.87 1uj2 s VAL 124 Ca 0.16 -0.46 -0.22 0.00 0.00 0.00 0.00 61.98 61.45 1uj2 s VAL 124 Cb 0.06 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 1uj2 s VAL 124 CO -0.03 0.43 0.66 -0.89 0.00 0.00 0.00 175.10 175.27 1uj2 s THR 125 N 1.32 4.85 -0.26 3.92 2.01 -1.26 -0.64 115.64 125.57 1uj2 s THR 125 Ca 0.04 1.39 -0.01 0.00 0.31 0.00 0.00 61.69 63.42 1uj2 s THR 125 Cb -0.14 -4.00 0.03 0.00 0.01 0.00 0.00 72.50 68.40 1uj2 s THR 125 CO -0.02 0.39 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.57 1uj2 s VAL 126 N -0.09 2.86 0.62 3.82 1.01 0.15 -4.98 120.40 123.79 1uj2 s VAL 126 Ca 0.34 -1.15 -0.08 0.00 0.00 0.00 0.00 61.98 61.10 1uj2 s VAL 126 Cb -0.19 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.69 1uj2 s VAL 126 CO 0.19 0.11 0.96 -0.31 0.00 0.00 0.00 175.10 176.06 1uj2 s TYR 127 N 1.29 3.32 0.10 5.22 1.51 -1.26 -1.19 117.35 126.34 1uj2 s TYR 127 Ca -0.02 0.82 -0.36 0.00 -1.01 0.00 0.00 57.07 56.50 1uj2 s TYR 127 Cb -0.18 -2.81 -0.16 0.00 -0.11 0.00 0.00 41.96 38.70 1uj2 s TYR 127 CO -0.04 -0.89 1.37 -2.30 -1.11 0.00 0.00 175.55 172.59 1uj2 n PRO 128 N -2.70 1.29 -4.49 -1.71 -0.02 -1.26 -4.93 135.00 121.18 1uj2 n PRO 128 Ca 0.05 0.46 -0.23 0.00 -2.02 0.00 0.00 63.50 61.76 1uj2 n PRO 128 Cb 0.57 -2.13 -0.10 0.00 -0.02 0.00 0.00 33.50 31.82 1uj2 n PRO 128 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uj2 s ALA 129 N 0.55 2.63 -0.10 3.55 0.00 -1.26 -4.81 121.76 122.32 1uj2 s ALA 129 Ca 0.84 -2.02 0.09 0.00 0.00 0.00 0.00 51.96 50.87 1uj2 s ALA 129 Cb -0.92 0.15 -0.24 0.00 0.00 0.00 0.00 23.12 22.11 1uj2 s ALA 129 CO 0.46 -0.04 0.44 -0.25 0.00 0.00 0.00 175.76 176.36 1uj2 n ASP 130 N -0.70 1.05 -3.87 0.00 8.00 0.53 -4.49 116.55 117.07 1uj2 n ASP 130 Ca -0.05 0.27 -0.16 0.00 0.71 0.00 0.00 54.79 55.56 1uj2 n ASP 130 Cb 0.64 -0.06 -0.15 0.00 -0.02 0.00 0.00 41.12 41.52 1uj2 n ASP 130 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1uj2 s VAL 131 N -2.57 0.22 -0.07 2.53 1.01 -0.28 -0.88 120.40 120.36 1uj2 s VAL 131 Ca -0.11 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1uj2 s VAL 131 Cb 0.07 -0.25 0.01 0.00 0.00 0.00 0.00 36.38 36.21 1uj2 s VAL 131 CO 0.80 0.11 -0.14 -0.69 0.00 0.00 0.00 175.10 175.18 1uj2 s VAL 132 N 0.46 1.31 -0.25 2.92 1.01 -0.43 -2.06 120.40 123.36 1uj2 s VAL 132 Ca -0.05 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.27 1uj2 s VAL 132 Cb -0.07 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1uj2 s VAL 132 CO -0.01 0.39 0.12 -0.76 0.00 0.00 0.00 175.10 174.84 1uj2 s LEU 133 N 0.64 3.75 -0.22 3.92 1.43 0.10 -0.04 118.68 128.26 1uj2 s LEU 133 Ca -0.15 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1uj2 s LEU 133 Cb -0.16 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.07 1uj2 s LEU 133 CO 0.04 0.00 -0.11 0.12 0.23 0.00 0.00 176.35 176.64 1uj2 s PHE 134 N 1.42 2.95 -0.01 0.29 5.36 -0.27 0.22 117.98 127.96 1uj2 s PHE 134 Ca 0.06 -1.48 0.07 0.00 -0.96 0.00 0.00 56.93 54.63 1uj2 s PHE 134 Cb -0.15 -2.02 -0.02 0.00 -0.34 0.00 0.00 43.02 40.50 1uj2 s PHE 134 CO 0.06 -0.72 -0.23 -1.83 -1.46 0.00 0.00 175.22 171.03 1uj2 s GLU 135 N 1.34 1.86 -0.27 10.12 4.04 -0.31 -0.45 118.70 135.03 1uj2 s GLU 135 Ca 0.03 -0.87 -0.35 0.00 0.04 0.00 0.00 54.97 53.82 1uj2 s GLU 135 Cb -0.15 -1.83 0.17 0.00 0.02 0.00 0.00 34.13 32.34 1uj2 s GLU 135 CO -0.07 0.50 1.35 0.20 -1.84 0.00 0.00 175.26 175.40 1uj2 s GLY 136 N -0.65 -0.12 0.47 -3.83 0.00 -0.71 -0.26 107.32 102.23 1uj2 s GLY 136 Ca 0.09 2.18 0.32 0.00 0.00 0.00 0.00 44.72 47.31 1uj2 s GLY 136 CO -0.00 0.78 1.97 0.16 0.00 0.00 0.00 173.10 176.01 1uj2 h ILE 137 N 2.02 0.00 0.00 0.90 3.07 -1.87 -2.82 117.51 118.82 1uj2 h ILE 137 Ca -0.05 -0.08 -0.10 0.00 1.55 0.00 0.00 64.86 66.18 1uj2 h ILE 137 Cb 1.15 0.84 -0.21 0.00 -0.27 0.00 0.00 36.82 38.34 1uj2 h ILE 137 CO 0.20 0.00 -0.79 0.18 -1.05 0.00 0.00 178.15 176.70 1uj2 n LEU 138 N -2.65 1.79 0.24 0.16 4.77 -1.26 -4.64 117.00 115.41 1uj2 n LEU 138 Ca -0.01 -2.88 0.15 0.00 -0.03 0.00 0.00 56.01 53.24 1uj2 n LEU 138 Cb 0.10 -0.25 0.83 0.00 -2.33 0.00 0.00 43.42 41.78 1uj2 n LEU 138 CO 0.17 0.92 1.13 0.00 -1.33 0.00 0.00 177.39 178.27 1uj2 h ALA 139 N 0.99 1.75 -0.47 -1.18 0.00 -1.78 -1.96 119.26 116.61 1uj2 h ALA 139 Ca -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1uj2 h ALA 139 Cb 1.48 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1uj2 h ALA 139 CO 0.05 -0.14 0.00 1.19 0.00 0.00 0.00 179.25 180.35 1uj2 n PHE 140 N -3.96 0.76 -0.12 0.00 0.99 -1.26 -4.48 117.46 109.40 1uj2 n PHE 140 Ca -0.01 -0.55 -0.12 0.00 -0.00 0.00 0.00 57.45 56.77 1uj2 n PHE 140 Cb 0.20 -0.07 -0.03 0.00 -1.00 0.00 0.00 39.48 38.57 1uj2 n PHE 140 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1uj2 h TYR 141 N 2.82 0.84 -3.39 1.38 3.20 -1.68 -3.44 116.97 116.71 1uj2 h TYR 141 Ca 0.00 -0.21 -0.58 0.00 3.14 0.00 0.00 58.73 61.08 1uj2 h TYR 141 Cb 0.95 -0.19 -0.09 0.00 1.54 0.00 0.00 36.73 38.94 1uj2 h TYR 141 CO 0.39 0.93 -0.03 0.45 -1.64 0.00 0.00 178.16 178.26 1uj2 s SER 142 N -6.43 6.69 0.25 -2.11 0.15 -1.26 -4.98 113.70 106.01 1uj2 s SER 142 Ca -0.12 0.83 -0.05 0.00 0.70 0.00 0.00 55.95 57.31 1uj2 s SER 142 Cb 0.09 -2.32 0.33 0.00 -1.71 0.00 0.00 66.02 62.42 1uj2 s SER 142 CO 0.82 -0.12 1.89 -0.61 1.20 0.00 0.00 173.24 176.42 1uj2 h GLN 143 N 7.09 1.17 -0.47 5.44 4.15 -1.97 0.78 115.11 131.29 1uj2 h GLN 143 Ca -0.37 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 58.96 1uj2 h GLN 143 Cb 1.17 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 28.57 1uj2 h GLN 143 CO 0.75 0.77 0.20 0.93 -1.93 0.00 0.00 178.83 179.56 1uj2 h GLU 144 N 1.20 0.70 -0.22 1.69 5.08 -1.98 -1.41 114.58 119.64 1uj2 h GLU 144 Ca 0.39 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1uj2 h GLU 144 Cb 0.04 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1uj2 h GLU 144 CO -0.14 0.63 -0.02 0.28 -1.00 0.00 0.00 179.01 178.76 1uj2 h VAL 145 N 0.62 1.27 -0.53 3.13 2.07 -1.81 -3.14 116.25 117.86 1uj2 h VAL 145 Ca 0.16 -0.95 0.10 0.00 0.82 0.00 0.00 66.70 66.83 1uj2 h VAL 145 Cb 0.18 1.46 -0.08 0.00 -1.52 0.00 0.00 31.29 31.33 1uj2 h VAL 145 CO -0.01 0.29 0.08 0.03 0.02 0.00 0.00 177.57 177.98 1uj2 h ARG 146 N 0.15 0.20 0.00 1.57 3.08 -0.67 -0.78 114.38 117.92 1uj2 h ARG 146 Ca 0.06 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1uj2 h ARG 146 Cb 0.44 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1uj2 h ARG 146 CO 0.02 0.14 0.00 -0.44 -1.07 0.00 0.00 179.97 178.61 1uj2 h ASP 147 N 0.21 0.00 1.65 7.04 3.32 -1.22 -1.28 116.42 126.14 1uj2 h ASP 147 Ca 0.27 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 1uj2 h ASP 147 Cb 0.39 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 1uj2 h ASP 147 CO -0.38 0.00 -0.11 -0.07 -1.72 0.00 0.00 179.24 176.96 1uj2 h LEU 148 N 0.00 0.00 -9.52 1.55 3.38 -1.10 -3.45 115.31 106.17 1uj2 h LEU 148 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1uj2 h LEU 148 Cb 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1uj2 h LEU 148 CO 0.00 0.11 0.22 -0.36 0.09 0.00 0.00 178.44 178.50 1uj2 s PHE 149 N -3.28 3.74 -0.78 1.13 2.99 -0.48 -4.59 117.98 116.69 1uj2 s PHE 149 Ca 0.05 1.55 0.24 0.00 0.00 0.00 0.00 56.93 58.77 1uj2 s PHE 149 Cb 0.07 -2.90 0.25 0.00 0.00 0.00 0.00 43.02 40.44 1uj2 s PHE 149 CO 0.66 0.22 1.22 1.04 -0.00 0.00 0.00 175.22 178.36 1uj2 n GLN 150 N 2.95 0.17 -3.74 0.44 6.02 0.08 -4.86 117.38 118.44 1uj2 n GLN 150 Ca -0.01 0.02 -0.12 0.00 -0.01 0.00 0.00 57.00 56.88 1uj2 n GLN 150 Cb 0.50 -1.57 -0.11 0.00 1.02 0.00 0.00 30.24 30.08 1uj2 n GLN 150 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1uj2 s MET 151 N -3.11 0.38 -0.14 -1.09 0.00 -1.19 -5.05 119.30 109.10 1uj2 s MET 151 Ca 0.07 0.57 -0.00 0.00 0.00 0.00 0.00 55.69 56.33 1uj2 s MET 151 Cb 0.15 0.11 0.03 0.00 0.00 0.00 0.00 34.83 35.12 1uj2 s MET 151 CO 0.75 -0.09 -0.10 0.15 0.00 0.00 0.00 175.02 175.73 1uj2 s LYS 152 N 0.61 1.83 -0.03 4.11 1.02 -1.26 -0.78 119.74 125.24 1uj2 s LYS 152 Ca -0.03 -0.43 0.03 0.00 0.02 0.00 0.00 55.97 55.56 1uj2 s LYS 152 Cb -0.05 -1.87 -0.03 0.00 -0.52 0.00 0.00 37.83 35.36 1uj2 s LYS 152 CO -0.04 -0.28 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.49 1uj2 s LEU 153 N 1.60 2.93 -0.14 3.17 1.43 -0.15 -0.22 118.68 127.30 1uj2 s LEU 153 Ca 0.04 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 1uj2 s LEU 153 Cb -0.13 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.46 1uj2 s LEU 153 CO -0.09 0.32 -0.15 0.12 0.23 0.00 0.00 176.35 176.78 1uj2 s PHE 154 N -0.85 2.16 -0.48 0.29 5.36 -0.53 -1.25 117.98 122.68 1uj2 s PHE 154 Ca 0.14 -1.17 -0.23 0.00 -0.96 0.00 0.00 56.93 54.70 1uj2 s PHE 154 Cb -0.11 -1.58 0.03 0.00 -0.34 0.00 0.00 43.02 41.03 1uj2 s PHE 154 CO 0.03 -0.63 0.80 0.08 -1.46 0.00 0.00 175.22 174.04 1uj2 s VAL 155 N 1.35 4.62 -0.37 3.12 1.01 0.23 -0.65 120.40 129.71 1uj2 s VAL 155 Ca 0.02 0.31 -0.14 0.00 0.00 0.00 0.00 61.98 62.17 1uj2 s VAL 155 Cb -0.13 -4.36 -0.00 0.00 0.00 0.00 0.00 36.38 31.88 1uj2 s VAL 155 CO -0.08 -0.80 0.28 -0.62 0.00 0.00 0.00 175.10 173.87 1uj2 s ASP 156 N 2.32 6.10 -0.02 3.32 3.68 -0.54 -4.30 116.67 127.23 1uj2 s ASP 156 Ca 0.28 -0.57 0.02 0.00 2.13 0.00 0.00 52.55 54.41 1uj2 s ASP 156 Cb -0.13 -2.16 0.00 0.00 -1.45 0.00 0.00 42.92 39.19 1uj2 s ASP 156 CO 0.21 -0.33 -0.05 -0.89 0.13 0.00 0.00 175.17 174.24 1uj2 s THR 157 N 1.76 0.47 0.50 1.71 2.01 -1.26 -4.06 115.64 116.76 1uj2 s THR 157 Ca 0.07 -0.20 -0.22 0.00 0.31 0.00 0.00 61.69 61.64 1uj2 s THR 157 Cb -0.18 -0.43 -0.08 0.00 0.01 0.00 0.00 72.50 71.83 1uj2 s THR 157 CO 0.11 0.16 1.09 0.47 -0.69 0.00 0.00 174.62 175.75 1uj2 n ASP 158 N 3.27 1.54 -0.29 3.53 10.43 -1.26 -4.76 116.55 129.01 1uj2 n ASP 158 Ca -0.17 0.96 -0.03 0.00 2.57 0.00 0.00 54.79 58.12 1uj2 n ASP 158 Cb 0.56 -1.42 0.08 0.00 1.84 0.00 0.00 41.12 42.18 1uj2 n ASP 158 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1uj2 h ALA 159 N 1.27 1.03 -0.63 2.24 0.00 -1.99 -0.17 119.26 121.01 1uj2 h ALA 159 Ca -0.47 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 1uj2 h ALA 159 Cb 1.33 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1uj2 h ALA 159 CO 0.55 0.37 0.07 0.38 0.00 0.00 0.00 179.25 180.63 1uj2 h ASP 160 N 1.03 1.03 -0.55 0.00 -0.00 -1.99 0.38 116.42 116.32 1uj2 h ASP 160 Ca 0.30 -0.28 -0.00 0.00 -0.00 0.00 0.00 57.03 57.06 1uj2 h ASP 160 Cb -0.06 -0.27 -0.03 0.00 -0.00 0.00 0.00 39.33 38.97 1uj2 h ASP 160 CO -0.09 1.05 0.34 0.74 -0.00 0.00 0.00 179.24 181.28 1uj2 h THR 161 N 0.97 1.16 -0.42 1.15 2.02 -1.80 -1.88 112.91 114.11 1uj2 h THR 161 Ca 0.19 -0.34 -0.07 0.00 0.77 0.00 0.00 66.41 66.95 1uj2 h THR 161 Cb 0.48 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1uj2 h THR 161 CO 0.02 0.16 -0.03 0.03 0.37 0.00 0.00 175.52 176.07 1uj2 h ARG 162 N 0.74 0.69 -0.38 6.66 3.08 -0.70 -2.06 114.38 122.40 1uj2 h ARG 162 Ca 0.20 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1uj2 h ARG 162 Cb -0.03 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1uj2 h ARG 162 CO -0.04 0.72 0.10 1.25 -1.07 0.00 0.00 179.97 180.94 1uj2 h LEU 163 N 0.64 0.56 -0.53 3.04 5.85 -0.52 0.10 115.31 124.47 1uj2 h LEU 163 Ca 0.13 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.65 1uj2 h LEU 163 Cb 0.44 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1uj2 h LEU 163 CO 0.02 0.64 0.32 -1.28 -0.34 0.00 0.00 178.44 177.80 1uj2 h SER 164 N 0.47 0.53 -0.62 1.25 0.87 -1.13 -0.61 113.55 114.30 1uj2 h SER 164 Ca 0.12 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.63 1uj2 h SER 164 Cb 0.28 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 1uj2 h SER 164 CO -0.00 0.38 0.19 0.03 -0.53 0.00 0.00 176.83 176.89 1uj2 h ARG 165 N 0.64 0.96 -0.80 2.24 3.08 -1.09 -2.58 114.38 116.84 1uj2 h ARG 165 Ca 0.21 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1uj2 h ARG 165 Cb -0.00 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 1uj2 h ARG 165 CO -0.08 0.85 0.36 -0.09 -1.07 0.00 0.00 179.97 179.94 1uj2 h ARG 166 N 0.88 1.17 0.09 0.04 2.43 -0.32 -0.74 114.38 117.92 1uj2 h ARG 166 Ca 0.20 -0.19 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1uj2 h ARG 166 Cb 0.29 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1uj2 h ARG 166 CO -0.01 0.92 -0.04 0.28 -1.51 0.00 0.00 179.97 179.61 1uj2 h VAL 167 N 1.14 0.94 -0.74 0.20 2.07 -1.00 0.12 116.25 118.98 1uj2 h VAL 167 Ca 0.27 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.69 1uj2 h VAL 167 Cb 0.16 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1uj2 h VAL 167 CO -0.03 0.02 0.39 -0.07 0.02 0.00 0.00 177.57 177.90 1uj2 h LEU 168 N -0.15 0.94 -0.13 2.57 3.38 -1.29 -2.43 115.31 118.20 1uj2 h LEU 168 Ca -0.01 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1uj2 h LEU 168 Cb 0.12 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1uj2 h LEU 168 CO 0.02 0.78 -0.02 -0.09 0.09 0.00 0.00 178.44 179.22 1uj2 h ARG 169 N 1.02 0.24 -0.11 1.13 2.43 -0.96 -2.51 114.38 115.62 1uj2 h ARG 169 Ca 0.26 -0.09 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 1uj2 h ARG 169 Cb 0.06 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1uj2 h ARG 169 CO -0.04 0.51 -0.24 -0.44 -1.51 0.00 0.00 179.97 178.25 1uj2 h ASP 170 N -0.06 0.19 -0.06 -3.80 5.19 -0.67 0.21 116.42 117.42 1uj2 h ASP 170 Ca 0.03 -0.05 -0.18 0.00 -0.62 0.00 0.00 57.03 56.21 1uj2 h ASP 170 Cb 0.42 -0.05 0.01 0.00 0.18 0.00 0.00 39.33 39.89 1uj2 h ASP 170 CO 0.01 0.44 -0.66 0.40 -3.12 0.00 0.00 179.24 176.31 1uj2 h ILE 171 N 0.18 1.36 0.00 0.35 2.04 -1.47 -0.54 117.51 119.43 1uj2 h ILE 171 Ca 0.03 -2.00 0.00 0.00 1.00 0.00 0.00 64.86 63.89 1uj2 h ILE 171 Cb 0.53 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 1uj2 h ILE 171 CO 0.04 0.60 -0.57 -1.54 0.00 0.00 0.00 178.15 176.68 1uj2 n SER 172 N -4.13 0.64 0.00 1.72 3.41 -0.95 -3.93 113.62 110.38 1uj2 n SER 172 Ca -0.09 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1uj2 n SER 172 Cb 0.69 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 1uj2 n SER 172 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1uj2 n GLU 173 N -1.97 2.14 -0.08 4.33 1.02 0.72 -4.82 120.64 121.98 1uj2 n GLU 173 Ca 0.04 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.22 1uj2 n GLU 173 Cb 0.42 -0.84 0.08 0.00 -0.02 0.00 0.00 31.44 31.07 1uj2 n GLU 173 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1uj2 n ARG 174 N -1.18 2.63 -2.09 3.49 1.74 -0.90 -4.89 116.66 115.45 1uj2 n ARG 174 Ca 0.00 -1.92 -0.19 0.00 -0.77 0.00 0.00 57.85 54.97 1uj2 n ARG 174 Cb 0.10 -1.21 -0.03 0.00 -1.02 0.00 0.00 32.46 30.29 1uj2 n ARG 174 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uj2 n GLY 175 N -0.49 0.33 3.88 -0.13 0.00 -0.93 -4.57 105.19 103.28 1uj2 n GLY 175 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1uj2 n GLY 175 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uj2 s ARG 176 N -4.51 3.79 0.11 1.61 1.81 -0.26 -4.99 118.95 116.51 1uj2 s ARG 176 Ca 0.00 0.33 -0.19 0.00 -1.72 0.00 0.00 55.73 54.15 1uj2 s ARG 176 Cb 0.00 -2.54 -0.07 0.00 -0.45 0.00 0.00 34.95 31.89 1uj2 s ARG 176 CO 0.00 0.18 0.60 -0.51 -0.68 0.00 0.00 175.30 174.89 1uj2 s ASP 177 N -2.73 7.06 0.17 0.23 1.11 -1.26 -4.13 116.67 117.11 1uj2 s ASP 177 Ca 0.49 1.28 -0.23 0.00 0.18 0.00 0.00 52.55 54.27 1uj2 s ASP 177 Cb -0.11 -2.37 0.06 0.00 1.07 0.00 0.00 42.92 41.57 1uj2 s ASP 177 CO 0.25 0.22 1.59 0.25 1.18 0.00 0.00 175.17 178.66 1uj2 h LEU 178 N 4.25 -1.14 -1.44 1.23 5.85 -1.98 -0.67 115.31 121.42 1uj2 h LEU 178 Ca -0.49 0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.37 1uj2 h LEU 178 Cb 1.21 0.53 -0.01 0.00 0.37 0.00 0.00 40.66 42.76 1uj2 h LEU 178 CO 0.64 -0.33 -0.21 -0.33 -0.34 0.00 0.00 178.44 177.87 1uj2 h GLU 179 N -0.25 0.10 -0.27 1.25 5.08 -1.99 -1.19 114.58 117.30 1uj2 h GLU 179 Ca 0.17 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.38 1uj2 h GLU 179 Cb 0.55 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1uj2 h GLU 179 CO -0.56 0.31 -0.32 0.37 -1.00 0.00 0.00 179.01 177.82 1uj2 h GLN 180 N 0.09 0.69 -0.17 2.33 4.15 -1.76 -1.03 115.11 119.41 1uj2 h GLN 180 Ca 0.02 -0.38 0.00 0.00 0.77 0.00 0.00 58.65 59.06 1uj2 h GLN 180 Cb 0.43 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 1uj2 h GLN 180 CO 0.03 1.00 0.11 0.82 -1.93 0.00 0.00 178.83 178.86 1uj2 h ILE 181 N 0.42 1.04 -0.59 2.39 2.04 -0.51 0.10 117.51 122.41 1uj2 h ILE 181 Ca 0.04 -0.08 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 1uj2 h ILE 181 Cb 0.89 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 1uj2 h ILE 181 CO 0.08 0.04 0.11 -0.07 0.00 0.00 0.00 178.15 178.30 1uj2 h LEU 182 N 0.23 0.89 -0.15 1.44 3.38 -1.19 0.51 115.31 120.43 1uj2 h LEU 182 Ca 0.06 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1uj2 h LEU 182 Cb -0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1uj2 h LEU 182 CO -0.01 0.89 0.02 -1.28 0.09 0.00 0.00 178.44 178.15 1uj2 h SER 183 N 0.89 0.24 -0.86 -0.43 0.87 -0.94 -1.21 113.55 112.12 1uj2 h SER 183 Ca 0.19 -0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 1uj2 h SER 183 Cb 0.38 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.23 1uj2 h SER 183 CO 0.01 0.44 0.46 -0.61 -0.53 0.00 0.00 176.83 176.59 1uj2 h GLN 184 N 0.03 1.21 0.03 2.24 4.15 -0.79 -0.53 115.11 121.44 1uj2 h GLN 184 Ca 0.04 -0.15 -0.00 0.00 0.77 0.00 0.00 58.65 59.32 1uj2 h GLN 184 Cb 0.31 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.76 1uj2 h GLN 184 CO 0.00 0.89 -0.01 -0.92 -1.93 0.00 0.00 178.83 176.86 1uj2 h TYR 185 N 1.21 -0.03 -0.55 3.99 3.20 -0.70 0.13 116.97 124.21 1uj2 h TYR 185 Ca 0.30 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.09 1uj2 h TYR 185 Cb 0.05 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 1uj2 h TYR 185 CO 0.01 0.22 0.02 0.82 -1.64 0.00 0.00 178.16 177.59 1uj2 h ILE 186 N -0.29 1.26 -0.06 1.81 1.08 -1.14 0.43 117.51 120.61 1uj2 h ILE 186 Ca -0.00 -1.09 -0.18 0.00 -0.39 0.00 0.00 64.86 63.20 1uj2 h ILE 186 Cb 0.27 0.87 0.01 0.00 -3.07 0.00 0.00 36.82 34.90 1uj2 h ILE 186 CO 0.01 0.39 -0.66 0.74 -0.69 0.00 0.00 178.15 177.93 1uj2 h THR 187 N 0.85 1.36 0.00 -0.27 2.02 -1.10 -3.41 112.91 112.36 1uj2 h THR 187 Ca 0.16 -1.99 -0.02 0.00 0.77 0.00 0.00 66.41 65.33 1uj2 h THR 187 Cb 0.51 2.32 -0.00 0.00 -1.74 0.00 0.00 68.15 69.24 1uj2 h THR 187 CO 0.02 0.60 -1.06 0.49 0.37 0.00 0.00 175.52 175.95 1uj2 n PHE 188 N -4.13 0.00 0.08 3.16 3.01 -0.00 -4.71 117.46 114.87 1uj2 n PHE 188 Ca -0.09 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.24 1uj2 n PHE 188 Cb 0.69 -0.04 -0.07 0.00 -0.01 0.00 0.00 39.48 40.06 1uj2 n PHE 188 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1uj2 h VAL 189 N -0.03 0.89 0.26 -4.37 2.07 -1.09 -1.72 116.25 112.25 1uj2 h VAL 189 Ca -0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1uj2 h VAL 189 Cb 1.02 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1uj2 h VAL 189 CO -0.01 0.00 -0.13 0.50 0.02 0.00 0.00 177.57 177.95 1uj2 h LYS 190 N -0.13 -0.34 -0.49 1.57 3.64 -1.18 -0.12 116.57 119.53 1uj2 h LYS 190 Ca -0.00 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1uj2 h LYS 190 Cb 0.11 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 1uj2 h LYS 190 CO -0.00 -0.12 0.30 -1.35 -2.27 0.00 0.00 179.45 176.00 1uj2 h PRO 191 N -0.50 0.58 -0.53 1.90 0.11 -1.79 -1.11 132.00 130.65 1uj2 h PRO 191 Ca -0.04 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.97 1uj2 h PRO 191 Cb 0.38 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.33 1uj2 h PRO 191 CO 0.06 0.38 0.05 0.00 -0.21 0.00 0.00 178.00 178.28 1uj2 h ALA 192 N 1.21 1.07 -0.27 -0.75 0.00 -1.30 0.10 119.26 119.33 1uj2 h ALA 192 Ca 0.19 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1uj2 h ALA 192 Cb -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1uj2 h ALA 192 CO -0.08 0.59 0.15 0.35 0.00 0.00 0.00 179.25 180.26 1uj2 h PHE 193 N 0.82 0.36 -0.24 0.00 3.04 -0.52 0.13 116.94 120.53 1uj2 h PHE 193 Ca 0.16 -0.01 -0.10 0.00 3.98 0.00 0.00 57.97 62.00 1uj2 h PHE 193 Cb 0.43 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.81 1uj2 h PHE 193 CO 0.02 0.30 -0.29 0.93 -2.02 0.00 0.00 178.31 177.26 1uj2 h GLU 194 N 0.32 0.48 0.22 1.11 5.08 -0.85 -0.01 114.58 120.93 1uj2 h GLU 194 Ca 0.09 -0.20 -0.34 0.00 -1.00 0.00 0.00 59.36 57.92 1uj2 h GLU 194 Cb 0.06 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.31 1uj2 h GLU 194 CO -0.02 0.73 -1.58 1.49 -1.00 0.00 0.00 179.01 178.63 1uj2 h GLU 195 N 0.42 0.46 0.00 2.33 4.81 -0.56 -3.39 114.58 118.65 1uj2 h GLU 195 Ca 0.06 -0.79 -0.25 0.00 -0.13 0.00 0.00 59.36 58.25 1uj2 h GLU 195 Cb 0.72 0.29 -0.05 0.00 0.63 0.00 0.00 28.75 30.35 1uj2 h GLU 195 CO 0.06 1.38 -1.93 1.19 -0.73 0.00 0.00 179.01 178.97 1uj2 n PHE 196 N -3.69 0.00 -0.09 0.92 3.01 0.44 -4.66 117.46 113.39 1uj2 n PHE 196 Ca -0.21 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.09 1uj2 n PHE 196 Cb 1.08 -0.66 -0.09 0.00 -0.01 0.00 0.00 39.48 39.80 1uj2 n PHE 196 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1uj2 h LEU 198 N -1.00 -0.19 0.00 0.00 3.38 -1.23 0.16 115.31 116.42 1uj2 h LEU 198 Ca -0.22 0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1uj2 h LEU 198 Cb 1.03 0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1uj2 h LEU 198 CO -0.13 -0.09 0.00 -2.65 0.09 0.00 0.00 178.44 175.66 1uj2 n PRO 199 N -5.24 0.03 0.00 1.13 -0.02 -1.26 -1.21 135.00 128.43 1uj2 n PRO 199 Ca 0.10 0.30 0.11 0.00 -2.02 0.00 0.00 63.50 61.99 1uj2 n PRO 199 Cb 0.38 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.36 1uj2 n PRO 199 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1uj2 n THR 200 N -1.33 0.00 -0.02 3.45 -2.24 0.54 -4.23 114.28 110.45 1uj2 n THR 200 Ca 0.01 -0.01 0.08 0.00 -2.27 0.00 0.00 64.05 61.86 1uj2 n THR 200 Cb 0.03 0.78 0.47 0.00 -2.10 0.00 0.00 70.33 69.50 1uj2 n THR 200 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1uj2 h LYS 201 N 0.09 0.45 0.00 -0.78 3.64 -1.17 -1.17 116.57 117.63 1uj2 h LYS 201 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1uj2 h LYS 201 Cb 0.51 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1uj2 h LYS 201 CO 0.00 0.30 0.00 1.57 -2.27 0.00 0.00 179.45 179.05 1uj2 h LYS 202 N 0.46 0.00 0.00 1.90 2.10 -1.76 -1.17 116.57 118.10 1uj2 h LYS 202 Ca 0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 1uj2 h LYS 202 Cb 0.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 1uj2 h LYS 202 CO -0.05 0.00 -0.30 0.66 -2.00 0.00 0.00 179.45 177.76 1uj2 n TYR 203 N -2.80 0.00 -2.34 0.07 4.02 -0.44 -4.90 117.16 110.77 1uj2 n TYR 203 Ca -0.02 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.49 1uj2 n TYR 203 Cb 0.07 -0.35 -0.03 0.00 -0.02 0.00 0.00 39.34 39.01 1uj2 n TYR 203 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1uj2 s ALA 204 N -3.00 3.18 -0.03 -0.72 0.00 -0.44 -4.85 121.76 115.89 1uj2 s ALA 204 Ca 0.12 0.93 -0.03 0.00 0.00 0.00 0.00 51.96 52.99 1uj2 s ALA 204 Cb 0.18 -3.36 -0.27 0.00 0.00 0.00 0.00 23.12 19.67 1uj2 s ALA 204 CO 0.63 -0.45 0.73 -0.44 0.00 0.00 0.00 175.76 176.23 1uj2 h ASP 205 N 2.76 0.37 -3.67 0.00 3.32 -0.93 -3.47 116.42 114.81 1uj2 h ASP 205 Ca -0.48 -0.59 -0.37 0.00 0.02 0.00 0.00 57.03 55.61 1uj2 h ASP 205 Cb 1.23 -0.12 -0.32 0.00 0.22 0.00 0.00 39.33 40.34 1uj2 h ASP 205 CO 0.63 1.50 -0.76 -0.69 -1.72 0.00 0.00 179.24 178.20 1uj2 s VAL 206 N -2.60 0.46 -0.17 -1.35 1.01 -1.05 -5.05 120.40 111.64 1uj2 s VAL 206 Ca -0.12 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 1uj2 s VAL 206 Cb 0.07 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 1uj2 s VAL 206 CO 0.83 0.17 0.02 -0.63 0.00 0.00 0.00 175.10 175.50 1uj2 s ILE 207 N 0.47 4.41 -0.30 2.22 1.01 -1.26 -1.46 121.20 126.30 1uj2 s ILE 207 Ca -0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 60.65 60.38 1uj2 s ILE 207 Cb -0.09 -2.96 0.04 0.00 0.01 0.00 0.00 42.46 39.45 1uj2 s ILE 207 CO -0.00 0.48 0.02 -0.63 0.00 0.00 0.00 174.94 174.81 1uj2 s ILE 208 N 0.34 3.30 0.52 2.92 1.01 0.17 -4.96 121.20 124.52 1uj2 s ILE 208 Ca 0.00 -1.15 -0.01 0.00 0.00 0.00 0.00 60.65 59.49 1uj2 s ILE 208 Cb -0.13 -2.82 0.01 0.00 0.01 0.00 0.00 42.46 39.53 1uj2 s ILE 208 CO 0.01 -0.03 0.77 -2.16 0.00 0.00 0.00 174.94 173.53 1uj2 s PRO 209 N 1.34 2.85 -0.90 2.79 0.04 -1.26 -1.46 135.00 138.39 1uj2 s PRO 209 Ca -0.02 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 60.59 1uj2 s PRO 209 Cb -0.19 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.90 1uj2 s PRO 209 CO -0.00 -0.54 0.00 0.54 0.04 0.00 0.00 177.00 177.04 1uj2 n ARG 210 N -2.31 -1.35 0.00 4.56 1.74 -1.26 -4.55 116.66 113.49 1uj2 n ARG 210 Ca 0.04 0.75 0.00 0.00 -0.77 0.00 0.00 57.85 57.87 1uj2 n ARG 210 Cb 0.58 -4.94 0.00 0.00 -1.02 0.00 0.00 32.46 27.09 1uj2 n ARG 210 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uj2 n GLY 211 N -0.42 2.52 0.00 -0.13 0.00 -1.26 -1.32 105.19 104.58 1uj2 n GLY 211 Ca -0.09 0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.06 1uj2 n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uj2 n ALA 212 N 7.74 1.50 1.44 4.61 0.00 -1.26 -1.93 120.51 132.61 1uj2 n ALA 212 Ca 0.00 -0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.54 1uj2 n ALA 212 Cb 0.00 -1.17 0.51 0.00 0.00 0.00 0.00 19.45 18.79 1uj2 n ALA 212 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1uj2 n ASP 213 N -1.48 1.22 -4.47 0.00 8.00 -0.44 -4.59 116.55 114.81 1uj2 n ASP 213 Ca 0.03 -1.24 -0.44 0.00 0.71 0.00 0.00 54.79 53.85 1uj2 n ASP 213 Cb 0.12 0.03 -0.00 0.00 -0.02 0.00 0.00 41.12 41.25 1uj2 n ASP 213 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1uj2 s ASN 214 N -2.17 6.99 0.34 -2.24 3.84 -0.81 -4.82 114.94 116.06 1uj2 s ASN 214 Ca 0.34 -2.81 0.05 0.00 0.21 0.00 0.00 52.86 50.65 1uj2 s ASN 214 Cb 0.20 -2.41 0.62 0.00 -0.55 0.00 0.00 41.25 39.12 1uj2 s ASN 214 CO 0.40 -0.82 1.86 -0.07 -2.79 0.00 0.00 177.10 175.69 1uj2 h LEU 215 N 9.94 0.42 0.10 3.21 3.38 -1.87 -1.73 115.31 128.76 1uj2 h LEU 215 Ca 0.29 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1uj2 h LEU 215 Cb 0.90 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1uj2 h LEU 215 CO 1.23 0.54 -0.05 0.58 0.09 0.00 0.00 178.44 180.83 1uj2 h VAL 216 N 0.42 1.00 -0.68 1.22 2.07 -1.99 0.33 116.25 118.62 1uj2 h VAL 216 Ca 0.09 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 1uj2 h VAL 216 Cb 0.39 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1uj2 h VAL 216 CO 0.02 0.10 0.21 0.00 0.02 0.00 0.00 177.57 177.92 1uj2 h ALA 217 N 0.56 0.89 -0.31 1.67 0.00 -1.95 -1.60 119.26 118.53 1uj2 h ALA 217 Ca -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1uj2 h ALA 217 Cb 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1uj2 h ALA 217 CO 0.02 0.57 0.10 0.82 0.00 0.00 0.00 179.25 180.76 1uj2 h ILE 218 N 1.00 1.21 -0.03 0.00 2.04 -1.23 -2.01 117.51 118.48 1uj2 h ILE 218 Ca 0.22 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 1uj2 h ILE 218 Cb 0.30 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1uj2 h ILE 218 CO -0.01 0.22 -0.18 0.78 0.00 0.00 0.00 178.15 178.97 1uj2 h ASN 219 N 0.35 0.05 -0.38 1.72 2.35 -0.76 -0.27 115.58 118.65 1uj2 h ASN 219 Ca 0.10 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 1uj2 h ASN 219 Cb 0.25 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 1uj2 h ASN 219 CO -0.00 0.23 0.13 0.25 -1.65 0.00 0.00 177.43 176.39 1uj2 h LEU 220 N 0.05 0.54 -0.45 1.61 5.85 -0.86 0.19 115.31 122.23 1uj2 h LEU 220 Ca 0.01 -0.19 -0.14 0.00 0.84 0.00 0.00 57.88 58.39 1uj2 h LEU 220 Cb 0.35 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1uj2 h LEU 220 CO 0.02 0.59 -0.28 0.40 -0.34 0.00 0.00 178.44 178.83 1uj2 h ILE 221 N 0.46 1.27 -0.20 4.05 1.08 -0.76 -2.02 117.51 121.39 1uj2 h ILE 221 Ca 0.12 -1.45 0.01 0.00 -0.39 0.00 0.00 64.86 63.15 1uj2 h ILE 221 Cb 0.23 1.22 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 1uj2 h ILE 221 CO -0.01 0.50 0.11 0.58 -0.69 0.00 0.00 178.15 178.64 1uj2 h VAL 222 N 0.83 1.01 -0.88 1.67 2.07 -0.87 -0.54 116.25 119.54 1uj2 h VAL 222 Ca 0.09 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1uj2 h VAL 222 Cb 0.87 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 1uj2 h VAL 222 CO 0.08 0.04 0.52 -0.61 0.02 0.00 0.00 177.57 177.62 1uj2 h GLN 223 N 0.23 1.20 -0.49 1.57 -0.00 -0.89 0.08 115.11 116.80 1uj2 h GLN 223 Ca 0.08 -0.11 -0.07 0.00 -0.00 0.00 0.00 58.65 58.55 1uj2 h GLN 223 Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 27.48 27.22 1uj2 h GLN 223 CO -0.04 0.84 0.05 1.25 0.00 0.00 0.00 178.83 180.93 1uj2 h HIS 224 N 1.21 0.89 -0.47 3.99 2.76 -0.93 -1.50 115.15 121.10 1uj2 h HIS 224 Ca 0.31 -0.14 -0.09 0.00 -2.20 0.00 0.00 60.37 58.26 1uj2 h HIS 224 Cb -0.04 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.66 1uj2 h HIS 224 CO 0.01 0.83 -0.05 0.82 -1.30 0.00 0.00 177.93 178.24 1uj2 h ILE 225 N 0.70 1.27 -0.78 6.26 2.04 -0.65 -1.84 117.51 124.50 1uj2 h ILE 225 Ca 0.14 -1.14 0.01 0.00 1.00 0.00 0.00 64.86 64.87 1uj2 h ILE 225 Cb 0.44 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 1uj2 h ILE 225 CO 0.02 0.40 0.51 -0.61 0.00 0.00 0.00 178.15 178.47 1uj2 h GLN 226 N 0.72 1.02 -0.45 2.37 5.75 -0.82 0.11 115.11 123.81 1uj2 h GLN 226 Ca 0.13 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 1uj2 h GLN 226 Cb 0.57 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.87 1uj2 h GLN 226 CO 0.03 0.67 0.27 0.22 -2.65 0.00 0.00 178.83 177.37 1uj2 h ASP 227 N 1.05 0.44 -0.50 -0.69 1.82 -1.06 0.10 116.42 117.58 1uj2 h ASP 227 Ca 0.29 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.93 1uj2 h ASP 227 Cb -0.11 -0.09 -0.03 0.00 0.68 0.00 0.00 39.33 39.79 1uj2 h ASP 227 CO -0.07 0.31 0.31 0.40 -1.61 0.00 0.00 179.24 178.59 1uj2 h ILE 228 N 0.54 1.14 -0.13 2.25 2.04 -0.42 -2.38 117.51 120.55 1uj2 h ILE 228 Ca 0.18 -0.31 -0.20 0.00 1.00 0.00 0.00 64.86 65.52 1uj2 h ILE 228 Cb 0.00 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1uj2 h ILE 228 CO -0.08 0.15 -0.73 -0.07 0.00 0.00 0.00 178.15 177.42 1uj2 h LEU 229 N 0.70 0.75 -0.83 1.44 3.38 0.33 -3.10 115.31 117.98 1uj2 h LEU 229 Ca 0.19 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1uj2 h LEU 229 Cb -0.04 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1uj2 h LEU 229 CO -0.04 1.25 0.00 0.59 0.09 0.00 0.00 178.44 180.33 1uj2 n ASN 230 N -3.90 0.67 0.00 -0.43 3.02 0.25 -5.10 115.26 109.77 1uj2 n ASN 230 Ca -0.06 0.68 0.00 0.00 -0.03 0.00 0.00 54.58 55.18 1uj2 n ASN 230 Cb 0.72 -0.82 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 1uj2 n ASN 230 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25