#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xrj n PRO 20 N 0.00 1.68 -3.21 5.31 -0.02 -1.26 -4.96 135.00 132.54 1xrj n PRO 20 Ca 0.00 0.60 -0.43 0.00 -2.02 0.00 0.00 63.50 61.65 1xrj n PRO 20 Cb 0.00 -2.24 -0.07 0.00 -0.02 0.00 0.00 33.50 31.17 1xrj n PRO 20 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1xrj s PHE 21 N -1.23 3.10 -0.13 6.00 5.36 0.60 -4.96 117.98 126.73 1xrj s PHE 21 Ca 0.62 -0.34 -0.18 0.00 -0.96 0.00 0.00 56.93 56.06 1xrj s PHE 21 Cb -0.53 -3.23 -0.04 0.00 -0.34 0.00 0.00 43.02 38.88 1xrj s PHE 21 CO 0.57 -0.85 0.48 -0.51 -1.46 0.00 0.00 175.22 173.45 1xrj s LEU 22 N 2.47 4.26 -0.21 6.12 1.02 -1.26 -1.34 118.68 129.73 1xrj s LEU 22 Ca 0.16 0.80 -0.00 0.00 0.02 0.00 0.00 54.13 55.10 1xrj s LEU 22 Cb -0.17 -2.70 0.02 0.00 0.02 0.00 0.00 46.19 43.36 1xrj s LEU 22 CO 0.15 -0.02 -0.14 -0.63 0.02 0.00 0.00 176.35 175.72 1xrj s ILE 23 N 0.76 2.48 0.01 -0.59 1.01 0.69 -0.42 121.20 125.14 1xrj s ILE 23 Ca 0.26 -0.93 -0.17 0.00 0.00 0.00 0.00 60.65 59.81 1xrj s ILE 23 Cb -0.15 -2.14 -0.06 0.00 0.01 0.00 0.00 42.46 40.12 1xrj s ILE 23 CO 0.10 0.40 0.47 -0.83 0.00 0.00 0.00 174.94 175.09 1xrj s GLY 24 N 1.32 2.54 -0.09 6.18 0.00 0.17 -1.16 107.32 116.28 1xrj s GLY 24 Ca 0.03 -0.13 0.01 0.00 0.00 0.00 0.00 44.72 44.63 1xrj s GLY 24 CO -0.09 0.33 -0.08 0.14 0.00 0.00 0.00 173.10 173.40 1xrj s VAL 25 N -0.89 0.94 0.37 1.40 1.01 0.65 -0.74 120.40 123.14 1xrj s VAL 25 Ca 0.26 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.98 1xrj s VAL 25 Cb -0.17 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 1xrj s VAL 25 CO 0.15 0.34 0.11 -0.24 0.00 0.00 0.00 175.10 175.45 1xrj n SER 26 N 4.50 1.52 0.00 3.32 2.88 -0.39 -1.84 113.62 123.60 1xrj n SER 26 Ca -0.17 -2.87 0.00 0.00 -1.33 0.00 0.00 58.87 54.50 1xrj n SER 26 Cb 0.51 0.79 0.00 0.00 -0.75 0.00 0.00 64.21 64.76 1xrj n SER 26 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xrj n GLY 27 N -0.33 3.29 3.70 0.46 0.00 -1.26 -0.51 105.19 110.54 1xrj n GLY 27 Ca -0.07 -1.30 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 1xrj n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xrj s GLY 28 N 0.00 1.59 0.30 -0.02 0.00 -1.26 -4.19 107.32 103.74 1xrj s GLY 28 Ca 0.00 -0.66 -0.29 0.00 0.00 0.00 0.00 44.72 43.76 1xrj s GLY 28 CO 0.00 0.03 1.29 -0.37 0.00 0.00 0.00 173.10 174.05 1xrj n THR 29 N -4.21 1.65 -2.24 0.90 5.66 -1.26 -1.98 114.28 112.81 1xrj n THR 29 Ca 0.09 -0.41 -0.19 0.00 -3.05 0.00 0.00 64.05 60.49 1xrj n THR 29 Cb 0.59 -1.46 -0.02 0.00 -1.55 0.00 0.00 70.33 67.89 1xrj n THR 29 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xrj n ALA 30 N 0.83 -0.58 0.18 1.79 0.00 -1.26 -4.82 120.51 116.65 1xrj n ALA 30 Ca 0.08 0.18 0.06 0.00 0.00 0.00 0.00 53.44 53.76 1xrj n ALA 30 Cb 0.34 -2.00 0.19 0.00 0.00 0.00 0.00 19.45 17.97 1xrj n ALA 30 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xrj h SER 31 N 0.00 0.00 0.00 0.00 4.64 -1.74 -3.44 113.55 113.01 1xrj h SER 31 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1xrj h SER 31 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1xrj h SER 31 CO 0.54 0.34 0.00 0.61 -0.87 0.00 0.00 176.83 177.44 1xrj n GLY 32 N 0.85 1.30 0.27 -0.77 0.00 -1.26 -4.34 105.19 101.24 1xrj n GLY 32 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 1xrj n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xrj h LYS 33 N 0.94 -0.35 -0.47 1.61 1.57 -1.90 0.00 116.57 117.97 1xrj h LYS 33 Ca 0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1xrj h LYS 33 Cb 0.00 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1xrj h LYS 33 CO 0.00 -0.24 0.30 0.77 -0.57 0.00 0.00 179.45 179.71 1xrj h SER 34 N -0.37 0.55 -0.36 0.86 0.02 -1.97 -2.04 113.55 110.24 1xrj h SER 34 Ca 0.07 -0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 60.88 1xrj h SER 34 Cb 0.46 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1xrj h SER 34 CO -0.22 0.43 -0.12 -1.28 -1.14 0.00 0.00 176.83 174.49 1xrj h SER 35 N 0.63 0.81 0.05 3.07 0.87 -1.95 -0.79 113.55 116.23 1xrj h SER 35 Ca 0.17 -0.25 -0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1xrj h SER 35 Cb -0.04 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.71 1xrj h SER 35 CO -0.03 0.94 -0.02 0.58 -0.53 0.00 0.00 176.83 177.77 1xrj h VAL 36 N 0.73 1.01 -0.72 2.23 2.07 -0.77 -0.56 116.25 120.24 1xrj h VAL 36 Ca 0.12 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1xrj h VAL 36 Cb 0.62 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 1xrj h VAL 36 CO 0.04 0.05 0.45 0.00 0.02 0.00 0.00 177.57 178.13 1xrj h ALA 38 N 1.24 0.75 -0.46 0.00 0.00 -0.97 -1.89 119.26 117.94 1xrj h ALA 38 Ca 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1xrj h ALA 38 Cb -0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1xrj h ALA 38 CO -0.05 0.28 0.27 -0.22 0.00 0.00 0.00 179.25 179.53 1xrj h LYS 39 N 0.80 0.63 0.22 0.00 1.63 -0.71 -0.31 116.57 118.83 1xrj h LYS 39 Ca 0.21 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1xrj h LYS 39 Cb 0.05 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 1xrj h LYS 39 CO -0.03 0.48 -0.17 0.82 -3.45 0.00 0.00 179.45 177.09 1xrj h ILE 40 N 0.61 0.63 -0.71 2.00 2.04 -1.01 0.72 117.51 121.79 1xrj h ILE 40 Ca 0.16 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.03 1xrj h ILE 40 Cb 0.02 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1xrj h ILE 40 CO -0.03 0.00 0.47 0.58 0.00 0.00 0.00 178.15 179.17 1xrj h VAL 41 N -0.40 1.18 -0.23 1.67 2.07 -1.20 -1.02 116.25 118.31 1xrj h VAL 41 Ca -0.01 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 1xrj h VAL 41 Cb 0.36 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1xrj h VAL 41 CO -0.01 0.18 -0.03 -0.61 0.02 0.00 0.00 177.57 177.12 1xrj h GLN 42 N 0.96 0.43 0.00 1.57 -0.00 -0.71 -2.27 115.11 115.10 1xrj h GLN 42 Ca 0.26 -0.15 -0.03 0.00 -0.00 0.00 0.00 58.65 58.73 1xrj h GLN 42 Cb -0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 27.48 27.34 1xrj h GLN 42 CO -0.06 0.64 -0.13 -0.07 0.00 0.00 0.00 178.83 179.22 1xrj h LEU 43 N 0.18 0.00 -0.34 -2.39 3.38 -0.38 -0.26 115.31 115.50 1xrj h LEU 43 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xrj h LEU 43 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1xrj h LEU 43 CO 0.02 0.13 0.00 0.18 0.09 0.00 0.00 178.44 178.86 1xrj n LEU 44 N -3.66 0.52 -2.38 1.67 4.77 -0.43 -4.91 117.00 112.58 1xrj n LEU 44 Ca -0.02 -0.19 -0.18 0.00 -0.03 0.00 0.00 56.01 55.60 1xrj n LEU 44 Cb 0.25 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.36 1xrj n LEU 44 CO 0.31 0.09 -0.02 0.61 -1.33 0.00 0.00 177.39 177.05 1xrj n GLY 45 N 1.01 -0.27 0.14 -0.72 0.00 -0.11 -4.92 105.19 100.33 1xrj n GLY 45 Ca 0.20 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.24 1xrj n GLY 45 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1xrj h GLN 46 N -1.02 0.00 -0.26 1.61 1.08 -1.60 -3.27 115.11 111.65 1xrj h GLN 46 Ca -0.42 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.78 1xrj h GLN 46 Cb 1.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 1xrj h GLN 46 CO 0.45 0.06 0.00 0.09 -0.95 0.00 0.00 178.83 178.48 1xrj n ASN 47 N -2.85 0.26 0.00 1.46 3.02 -1.26 -2.29 115.26 113.60 1xrj n ASN 47 Ca 0.00 -1.60 0.00 0.00 -0.03 0.00 0.00 54.58 52.95 1xrj n ASN 47 Cb 0.59 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 1xrj n ASN 47 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1xrj n GLU 48 N -0.31 3.41 -2.02 3.52 -0.58 -1.23 -5.06 120.64 118.37 1xrj n GLU 48 Ca 0.00 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.39 1xrj n GLU 48 Cb 0.06 -0.98 0.03 0.00 -0.57 0.00 0.00 31.44 29.98 1xrj n GLU 48 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1xrj s VAL 49 N -1.96 2.86 0.41 2.62 1.01 -0.97 -4.96 120.40 119.41 1xrj s VAL 49 Ca 0.00 0.51 -0.27 0.00 0.00 0.00 0.00 61.98 62.22 1xrj s VAL 49 Cb 0.00 -3.16 -0.09 0.00 0.00 0.00 0.00 36.38 33.13 1xrj s VAL 49 CO 0.00 -0.14 1.43 -0.62 0.00 0.00 0.00 175.10 175.77 1xrj s ASP 50 N -1.80 6.13 0.31 3.32 2.15 -1.26 -4.77 116.67 120.75 1xrj s ASP 50 Ca 0.74 2.93 0.08 0.00 0.43 0.00 0.00 52.55 56.74 1xrj s ASP 50 Cb -0.27 -2.66 0.86 0.00 -0.30 0.00 0.00 42.92 40.55 1xrj s ASP 50 CO 0.33 -1.00 1.72 1.88 -0.17 0.00 0.00 175.17 177.92 1xrj h TYR 51 N 2.66 0.91 -0.00 -5.34 -1.99 -1.94 0.55 116.97 111.81 1xrj h TYR 51 Ca -0.51 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.26 1xrj h TYR 51 Cb 1.25 -0.25 0.00 0.00 2.00 0.00 0.00 36.73 39.73 1xrj h TYR 51 CO 0.52 0.02 -0.16 0.54 -0.00 0.00 0.00 178.16 179.07 1xrj n ARG 52 N -4.94 0.08 -0.12 4.88 1.74 -1.26 -3.53 116.66 113.51 1xrj n ARG 52 Ca 0.26 -0.02 0.08 0.00 -0.77 0.00 0.00 57.85 57.39 1xrj n ARG 52 Cb 0.74 -1.50 0.13 0.00 -1.02 0.00 0.00 32.46 30.81 1xrj n ARG 52 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1xrj n GLN 53 N -1.44 1.94 -1.67 5.56 3.00 0.18 -4.89 117.38 120.05 1xrj n GLN 53 Ca 0.08 -1.81 -0.48 0.00 -0.01 0.00 0.00 57.00 54.77 1xrj n GLN 53 Cb 0.33 -1.32 -0.05 0.00 0.00 0.00 0.00 30.24 29.20 1xrj n GLN 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1xrj n LYS 54 N 0.86 2.04 -0.03 -1.09 4.01 -0.27 -4.75 118.16 118.94 1xrj n LYS 54 Ca 0.12 0.75 -0.06 0.00 -0.51 0.00 0.00 58.31 58.61 1xrj n LYS 54 Cb 0.43 -2.54 -0.13 0.00 -0.51 0.00 0.00 35.03 32.27 1xrj n LYS 54 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1xrj n GLN 55 N 5.28 0.64 -3.99 1.97 6.02 -1.26 -4.49 117.38 121.55 1xrj n GLN 55 Ca 0.21 0.18 -0.27 0.00 -0.01 0.00 0.00 57.00 57.11 1xrj n GLN 55 Cb 0.28 -1.72 -0.17 0.00 1.02 0.00 0.00 30.24 29.65 1xrj n GLN 55 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1xrj s VAL 56 N -2.69 1.05 0.23 5.09 1.01 -1.26 -0.72 120.40 123.12 1xrj s VAL 56 Ca -0.06 -0.32 0.09 0.00 0.00 0.00 0.00 61.98 61.69 1xrj s VAL 56 Cb 0.08 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 1xrj s VAL 56 CO 0.83 0.37 -0.15 0.68 0.00 0.00 0.00 175.10 176.82 1xrj s VAL 57 N 1.57 1.94 -0.11 2.92 -7.23 -0.84 -4.98 120.40 113.67 1xrj s VAL 57 Ca 0.02 -2.26 0.02 0.00 -1.81 0.00 0.00 61.98 57.96 1xrj s VAL 57 Cb -0.13 -2.15 -0.00 0.00 0.56 0.00 0.00 36.38 34.65 1xrj s VAL 57 CO -0.07 -0.52 -0.20 -0.63 -0.31 0.00 0.00 175.10 173.38 1xrj s ILE 58 N -2.84 2.39 -0.09 -0.62 1.01 -1.26 -0.85 121.20 118.94 1xrj s ILE 58 Ca 0.25 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 60.03 1xrj s ILE 58 Cb -0.02 -1.95 -0.02 0.00 0.01 0.00 0.00 42.46 40.48 1xrj s ILE 58 CO 0.10 0.55 -0.15 -0.76 0.00 0.00 0.00 174.94 174.67 1xrj s LEU 59 N 0.40 2.62 -0.13 2.97 1.02 0.15 -4.96 118.68 120.75 1xrj s LEU 59 Ca -0.15 -0.31 -0.03 0.00 0.02 0.00 0.00 54.13 53.66 1xrj s LEU 59 Cb -0.17 -1.55 -0.03 0.00 0.02 0.00 0.00 46.19 44.46 1xrj s LEU 59 CO 0.07 0.24 -0.01 -0.44 0.02 0.00 0.00 176.35 176.23 1xrj s SER 60 N -0.11 5.04 0.46 2.29 0.01 -1.26 -1.24 113.70 118.89 1xrj s SER 60 Ca -0.02 -0.01 0.13 0.00 1.31 0.00 0.00 55.95 57.36 1xrj s SER 60 Cb -0.14 -1.67 1.06 0.00 0.21 0.00 0.00 66.02 65.48 1xrj s SER 60 CO 0.04 0.25 2.06 -0.61 0.41 0.00 0.00 173.24 175.38 1xrj h GLN 61 N 6.13 0.12 0.00 12.44 4.15 -1.15 -1.50 115.11 135.30 1xrj h GLN 61 Ca -0.39 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.02 1xrj h GLN 61 Cb 1.19 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.85 1xrj h GLN 61 CO 0.61 0.16 0.00 0.38 -1.93 0.00 0.00 178.83 178.05 1xrj h ASP 62 N 0.12 0.00 0.64 -0.69 3.04 -1.94 -0.10 116.42 117.48 1xrj h ASP 62 Ca 0.03 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.82 1xrj h ASP 62 Cb 0.13 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.42 1xrj h ASP 62 CO 0.00 0.00 0.00 0.28 -2.04 0.00 0.00 179.24 177.48 1xrj h SER 63 N 0.00 0.00 -0.57 4.15 0.02 -1.57 -2.77 113.55 112.80 1xrj h SER 63 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1xrj h SER 63 Cb 0.20 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 1xrj h SER 63 CO 0.00 0.00 0.07 0.49 -1.14 0.00 0.00 176.83 176.25 1xrj n PHE 64 N -2.91 2.00 -1.97 3.45 3.01 -0.05 -4.50 117.46 116.50 1xrj n PHE 64 Ca -0.00 -0.90 -0.40 0.00 1.01 0.00 0.00 57.45 57.16 1xrj n PHE 64 Cb 0.21 -0.53 0.00 0.00 -0.01 0.00 0.00 39.48 39.15 1xrj n PHE 64 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1xrj s TYR 65 N -2.86 2.70 0.70 1.38 1.51 -1.05 -1.06 117.35 118.67 1xrj s TYR 65 Ca 0.53 1.36 -0.13 0.00 -1.01 0.00 0.00 57.07 57.81 1xrj s TYR 65 Cb 0.41 -3.75 0.02 0.00 -0.11 0.00 0.00 41.96 38.53 1xrj s TYR 65 CO 0.14 -2.37 1.11 1.03 -1.11 0.00 0.00 175.55 174.34 1xrj s ARG 66 N -2.30 2.59 -0.03 -0.62 0.52 -0.56 -4.78 118.95 113.77 1xrj s ARG 66 Ca 0.58 1.32 -0.30 0.00 -0.52 0.00 0.00 55.73 56.81 1xrj s ARG 66 Cb -0.40 -1.93 -0.04 0.00 0.52 0.00 0.00 34.95 33.11 1xrj s ARG 66 CO 0.51 -1.40 1.16 0.08 0.02 0.00 0.00 175.30 175.67 1xrj s VAL 67 N -2.53 4.32 0.29 3.52 1.01 -1.26 -4.92 120.40 120.84 1xrj s VAL 67 Ca 0.65 1.65 -0.18 0.00 0.00 0.00 0.00 61.98 64.10 1xrj s VAL 67 Cb -0.19 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 32.04 1xrj s VAL 67 CO 0.47 0.04 0.76 -0.76 0.00 0.00 0.00 175.10 175.60 1xrj s LEU 68 N 1.83 4.17 0.92 3.92 1.43 -1.26 -5.08 118.68 124.61 1xrj s LEU 68 Ca 0.55 1.39 -0.12 0.00 -1.03 0.00 0.00 54.13 54.92 1xrj s LEU 68 Cb -0.25 -3.93 0.20 0.00 0.03 0.00 0.00 46.19 42.24 1xrj s LEU 68 CO 0.24 -0.12 1.26 0.42 0.23 0.00 0.00 176.35 178.37 1xrj s THR 69 N -1.81 2.02 0.11 5.49 -4.23 -1.26 -4.78 115.64 111.17 1xrj s THR 69 Ca 0.50 -0.15 -0.28 0.00 -1.18 0.00 0.00 61.69 60.58 1xrj s THR 69 Cb -0.13 -2.86 -0.10 0.00 1.34 0.00 0.00 72.50 70.75 1xrj s THR 69 CO 0.19 0.00 1.63 0.28 -0.54 0.00 0.00 174.62 176.17 1xrj h SER 70 N -1.43 -0.83 0.60 3.99 0.02 -2.00 -0.88 113.55 113.02 1xrj h SER 70 Ca -0.42 0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 60.52 1xrj h SER 70 Cb 1.23 0.30 -0.01 0.00 0.14 0.00 0.00 62.40 64.06 1xrj h SER 70 CO 0.36 -0.40 -0.46 1.05 -1.14 0.00 0.00 176.83 176.24 1xrj h GLU 71 N -0.55 0.00 -0.22 3.45 4.11 -1.99 -2.55 114.58 116.82 1xrj h GLU 71 Ca 0.01 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.39 1xrj h GLU 71 Cb 0.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1xrj h GLU 71 CO -0.13 0.46 -0.06 1.96 0.07 0.00 0.00 179.01 181.31 1xrj h GLN 72 N 0.00 0.43 -0.53 1.06 4.20 -1.85 -2.07 115.11 116.36 1xrj h GLN 72 Ca -0.00 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.49 1xrj h GLN 72 Cb 0.88 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.61 1xrj h GLN 72 CO 0.06 0.67 0.12 -0.22 -0.67 0.00 0.00 178.83 178.79 1xrj h LYS 73 N 0.16 0.81 -0.18 1.46 3.64 -1.10 0.11 116.57 121.47 1xrj h LYS 73 Ca 0.06 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1xrj h LYS 73 Cb 0.52 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1xrj h LYS 73 CO 0.02 0.73 0.11 0.00 -2.27 0.00 0.00 179.45 178.05 1xrj h ALA 74 N 1.35 0.23 -0.76 5.00 0.00 -1.31 0.41 119.26 124.18 1xrj h ALA 74 Ca 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1xrj h ALA 74 Cb 0.30 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1xrj h ALA 74 CO -0.00 -0.30 0.43 0.87 0.00 0.00 0.00 179.25 180.25 1xrj h LYS 75 N 0.24 1.04 -0.93 0.00 1.57 -0.89 -2.21 116.57 115.40 1xrj h LYS 75 Ca 0.07 -0.11 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1xrj h LYS 75 Cb -0.02 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 32.02 1xrj h LYS 75 CO -0.02 0.76 0.61 0.00 -0.57 0.00 0.00 179.45 180.22 1xrj h ALA 76 N 1.22 1.43 0.00 3.86 0.00 -0.32 0.11 119.26 125.56 1xrj h ALA 76 Ca 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1xrj h ALA 76 Cb 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1xrj h ALA 76 CO -0.05 0.47 0.00 -0.07 0.00 0.00 0.00 179.25 179.60 1xrj h LEU 77 N 1.14 0.00 -2.45 0.00 3.38 -0.29 -0.32 115.31 116.76 1xrj h LEU 77 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1xrj h LEU 77 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1xrj h LEU 77 CO -0.12 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.70 1xrj n LYS 78 N -3.00 2.31 -2.45 1.13 5.02 0.12 -4.96 118.16 116.33 1xrj n LYS 78 Ca -0.02 -2.01 -0.12 0.00 -2.02 0.00 0.00 58.31 54.13 1xrj n LYS 78 Cb 0.11 -1.35 0.01 0.00 -0.02 0.00 0.00 35.03 33.78 1xrj n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xrj n GLY 79 N 0.91 -0.08 0.62 0.72 0.00 -0.13 -4.93 105.19 102.30 1xrj n GLY 79 Ca 0.14 -0.32 0.07 0.00 0.00 0.00 0.00 46.02 45.90 1xrj n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xrj n GLN 80 N -2.39 2.76 -4.65 1.61 6.02 0.14 -4.22 117.38 116.65 1xrj n GLN 80 Ca -0.11 -2.35 -0.33 0.00 -0.01 0.00 0.00 57.00 54.20 1xrj n GLN 80 Cb 0.59 -1.49 -0.12 0.00 1.02 0.00 0.00 30.24 30.25 1xrj n GLN 80 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1xrj s PHE 81 N -1.89 2.82 -0.83 1.08 5.36 -1.25 -4.78 117.98 118.48 1xrj s PHE 81 Ca 0.29 -0.07 -0.21 0.00 -0.96 0.00 0.00 56.93 55.98 1xrj s PHE 81 Cb 0.21 -1.63 0.10 0.00 -0.34 0.00 0.00 43.02 41.36 1xrj s PHE 81 CO 0.10 0.30 1.09 1.21 -1.46 0.00 0.00 175.22 176.46 1xrj s ASN 82 N -1.05 6.44 0.00 6.13 3.84 -1.26 -4.82 114.94 124.22 1xrj s ASN 82 Ca 0.14 -1.59 0.11 0.00 0.21 0.00 0.00 52.86 51.74 1xrj s ASN 82 Cb -0.11 -2.42 0.35 0.00 -0.55 0.00 0.00 41.25 38.52 1xrj s ASN 82 CO 0.04 -1.25 1.28 0.49 -2.79 0.00 0.00 177.10 174.87 1xrj n PHE 83 N 7.19 0.41 0.43 0.43 3.01 -1.26 -3.92 117.46 123.76 1xrj n PHE 83 Ca 0.14 -0.20 0.05 0.00 1.01 0.00 0.00 57.45 58.44 1xrj n PHE 83 Cb 0.48 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.96 1xrj n PHE 83 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1xrj n ASP 84 N 0.43 1.43 -4.84 4.37 8.00 -1.26 -4.89 116.55 119.80 1xrj n ASP 84 Ca 0.12 -1.22 -0.35 0.00 0.71 0.00 0.00 54.79 54.05 1xrj n ASP 84 Cb 0.28 0.30 -0.06 0.00 -0.02 0.00 0.00 41.12 41.63 1xrj n ASP 84 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1xrj s HIS 85 N -1.17 3.56 0.45 1.24 2.46 -1.25 -4.78 115.29 115.79 1xrj s HIS 85 Ca 0.10 1.21 0.22 0.00 0.47 0.00 0.00 55.06 57.05 1xrj s HIS 85 Cb 0.08 -2.49 1.21 0.00 -0.13 0.00 0.00 32.58 31.24 1xrj s HIS 85 CO 0.21 0.31 1.85 -1.35 -2.47 0.00 0.00 174.74 173.28 1xrj h PRO 86 N 3.13 0.28 0.00 2.88 0.11 -1.93 0.03 132.00 136.49 1xrj h PRO 86 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1xrj h PRO 86 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1xrj h PRO 86 CO 0.66 0.18 0.00 -0.44 -0.21 0.00 0.00 178.00 178.19 1xrj h ASP 87 N 0.29 0.00 1.09 -2.05 3.32 -1.94 -2.47 116.42 114.66 1xrj h ASP 87 Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 1xrj h ASP 87 Cb 1.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.94 1xrj h ASP 87 CO -0.15 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.37 1xrj h ALA 88 N 2.05 1.00 -2.64 3.45 0.00 -1.23 -3.45 119.26 118.44 1xrj h ALA 88 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1xrj h ALA 88 Cb 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1xrj h ALA 88 CO 0.00 0.00 -0.52 -0.06 0.00 0.00 0.00 179.25 178.67 1xrj s PHE 89 N -3.56 3.31 -1.10 0.00 0.40 -0.93 -1.50 117.98 114.60 1xrj s PHE 89 Ca 0.02 0.05 -0.15 0.00 -0.60 0.00 0.00 56.93 56.25 1xrj s PHE 89 Cb 0.09 -1.59 0.16 0.00 0.51 0.00 0.00 43.02 42.19 1xrj s PHE 89 CO 0.54 0.52 1.31 0.34 0.70 0.00 0.00 175.22 178.62 1xrj s ASP 90 N -3.15 6.92 0.45 1.36 -1.08 -0.23 -4.80 116.67 116.14 1xrj s ASP 90 Ca 0.33 -2.67 0.13 0.00 -0.52 0.00 0.00 52.55 49.82 1xrj s ASP 90 Cb -0.11 -2.39 1.01 0.00 -1.46 0.00 0.00 42.92 39.97 1xrj s ASP 90 CO 0.26 -0.84 2.02 0.78 0.52 0.00 0.00 175.17 177.90 1xrj h ASN 91 N 7.74 0.07 -0.28 -0.34 2.35 -1.87 -2.25 115.58 120.99 1xrj h ASN 91 Ca 0.25 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.92 1xrj h ASN 91 Cb 0.93 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.27 1xrj h ASN 91 CO 1.18 0.19 -0.11 -0.08 -1.65 0.00 0.00 177.43 176.96 1xrj h GLU 92 N 0.07 0.58 -0.41 0.81 4.81 -1.99 -1.99 114.58 116.46 1xrj h GLU 92 Ca 0.02 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 58.97 1xrj h GLU 92 Cb 0.24 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1xrj h GLU 92 CO 0.01 0.80 0.12 1.25 -0.73 0.00 0.00 179.01 180.47 1xrj h LEU 93 N 0.33 0.55 0.02 1.64 5.85 -1.88 -0.49 115.31 121.32 1xrj h LEU 93 Ca 0.07 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1xrj h LEU 93 Cb 0.61 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1xrj h LEU 93 CO 0.04 0.54 -0.01 0.40 -0.34 0.00 0.00 178.44 179.06 1xrj h ILE 94 N 0.59 1.15 -0.32 4.05 2.04 -1.24 -0.81 117.51 122.97 1xrj h ILE 94 Ca 0.14 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1xrj h ILE 94 Cb 0.19 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1xrj h ILE 94 CO -0.01 0.13 0.17 0.25 0.00 0.00 0.00 178.15 178.69 1xrj h LEU 95 N -0.24 0.40 -0.52 1.44 5.85 -1.00 -1.01 115.31 120.23 1xrj h LEU 95 Ca -0.00 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.63 1xrj h LEU 95 Cb 0.23 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1xrj h LEU 95 CO 0.00 0.38 0.34 0.11 -0.34 0.00 0.00 178.44 178.93 1xrj h LYS 96 N 0.39 0.67 -0.14 1.25 1.79 -1.08 -0.09 116.57 119.36 1xrj h LYS 96 Ca 0.11 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.54 1xrj h LYS 96 Cb 0.07 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 1xrj h LYS 96 CO -0.02 0.44 0.06 1.15 -1.08 0.00 0.00 179.45 180.01 1xrj h THR 97 N 0.69 1.13 -0.67 -0.16 2.02 -0.91 -0.33 112.91 114.68 1xrj h THR 97 Ca 0.19 -0.38 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 1xrj h THR 97 Cb -0.07 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1xrj h THR 97 CO -0.05 0.12 0.41 -0.07 0.37 0.00 0.00 175.52 176.30 1xrj h LEU 98 N 0.09 0.80 -0.52 2.58 3.38 -1.01 -0.80 115.31 119.83 1xrj h LEU 98 Ca 0.05 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xrj h LEU 98 Cb 0.13 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1xrj h LEU 98 CO -0.01 0.62 0.34 0.11 0.09 0.00 0.00 178.44 179.60 1xrj h LYS 99 N 0.91 0.69 -0.51 1.13 1.57 -0.79 -0.92 116.57 118.66 1xrj h LYS 99 Ca 0.24 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1xrj h LYS 99 Cb -0.04 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 1xrj h LYS 99 CO -0.05 0.46 0.14 0.93 -0.57 0.00 0.00 179.45 180.36 1xrj h GLU 100 N 0.71 0.76 -0.54 3.15 5.08 -0.66 -2.42 114.58 120.65 1xrj h GLU 100 Ca 0.19 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1xrj h GLU 100 Cb -0.08 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 1xrj h GLU 100 CO -0.04 0.68 0.07 0.82 -1.00 0.00 0.00 179.01 179.53 1xrj h ILE 101 N 0.74 1.26 0.00 3.13 2.04 -0.51 -1.76 117.51 122.41 1xrj h ILE 101 Ca 0.17 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 1xrj h ILE 101 Cb 0.25 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1xrj h ILE 101 CO -0.01 0.36 -0.05 0.71 0.00 0.00 0.00 178.15 179.17 1xrj h THR 102 N 0.80 0.19 -0.05 -0.27 1.35 -0.83 -1.00 112.91 113.11 1xrj h THR 102 Ca 0.16 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1xrj h THR 102 Cb 0.44 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1xrj h THR 102 CO 0.02 0.05 0.00 -0.62 -0.25 0.00 0.00 175.52 174.71 1xrj n GLU 103 N -3.26 1.47 -1.44 4.72 1.02 -0.85 -4.37 120.64 117.92 1xrj n GLU 103 Ca -0.01 -0.69 -0.03 0.00 -0.02 0.00 0.00 57.16 56.41 1xrj n GLU 103 Cb 0.23 -1.44 -0.01 0.00 -0.02 0.00 0.00 31.44 30.20 1xrj n GLU 103 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xrj n GLY 104 N 1.09 0.50 3.90 0.62 0.00 -0.38 -5.04 105.19 105.88 1xrj n GLY 104 Ca 0.19 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 1xrj n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xrj s LYS 105 N -2.96 3.56 0.05 1.61 1.02 -0.72 -4.69 119.74 117.60 1xrj s LYS 105 Ca 0.00 -0.21 -0.30 0.00 0.02 0.00 0.00 55.97 55.48 1xrj s LYS 105 Cb 0.00 -2.92 -0.04 0.00 -0.52 0.00 0.00 37.83 34.35 1xrj s LYS 105 CO 0.00 0.52 1.03 0.99 -0.92 0.00 0.00 175.35 176.97 1xrj s THR 106 N -1.60 4.55 0.29 2.17 2.01 -1.26 -4.40 115.64 117.40 1xrj s THR 106 Ca 0.39 1.91 0.11 0.00 0.31 0.00 0.00 61.69 64.41 1xrj s THR 106 Cb -0.12 -4.22 -0.05 0.00 0.01 0.00 0.00 72.50 68.11 1xrj s THR 106 CO 0.25 0.19 -0.17 0.68 -0.69 0.00 0.00 174.62 174.89 1xrj s VAL 107 N 0.72 2.37 -0.21 3.82 -7.23 -0.58 -4.97 120.40 114.32 1xrj s VAL 107 Ca 0.52 -2.35 -0.05 0.00 -1.81 0.00 0.00 61.98 58.30 1xrj s VAL 107 Cb -0.24 -2.37 -0.02 0.00 0.56 0.00 0.00 36.38 34.31 1xrj s VAL 107 CO 0.29 -0.36 -0.01 -1.10 -0.31 0.00 0.00 175.10 173.61 1xrj s GLN 108 N -3.54 3.51 -0.12 4.82 -1.52 -1.26 -0.86 119.66 120.69 1xrj s GLN 108 Ca 0.30 -0.56 -0.01 0.00 -1.95 0.00 0.00 55.36 53.14 1xrj s GLN 108 Cb -0.03 -3.07 -0.02 0.00 -0.22 0.00 0.00 33.01 29.67 1xrj s GLN 108 CO 0.15 -0.10 -0.09 0.42 -0.25 0.00 0.00 175.29 175.42 1xrj s ILE 109 N 1.26 3.47 0.88 1.08 1.01 -0.27 -4.98 121.20 123.65 1xrj s ILE 109 Ca 0.03 -0.53 -0.11 0.00 0.00 0.00 0.00 60.65 60.05 1xrj s ILE 109 Cb -0.15 -2.47 0.12 0.00 0.01 0.00 0.00 42.46 39.98 1xrj s ILE 109 CO 0.00 0.53 1.11 -2.84 0.00 0.00 0.00 174.94 173.74 1xrj s PRO 110 N 0.03 1.37 -0.19 2.79 0.02 -1.26 -1.61 135.00 136.15 1xrj s PRO 110 Ca -0.02 1.21 0.01 0.00 0.02 0.00 0.00 61.00 62.21 1xrj s PRO 110 Cb -0.14 -1.79 0.02 0.00 0.02 0.00 0.00 34.50 32.61 1xrj s PRO 110 CO 0.03 -2.28 -0.18 0.08 -0.33 0.00 0.00 177.00 174.32 1xrj s VAL 111 N -2.78 2.19 0.00 3.83 1.01 -1.25 -4.76 120.40 118.63 1xrj s VAL 111 Ca 0.64 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 1xrj s VAL 111 Cb -0.20 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 1xrj s VAL 111 CO 0.58 0.52 0.27 -0.47 0.00 0.00 0.00 175.10 176.00 1xrj s TYR 112 N 1.30 3.59 -0.31 5.22 5.04 -1.26 0.24 117.35 131.17 1xrj s TYR 112 Ca 0.05 0.61 -0.01 0.00 -2.44 0.00 0.00 57.07 55.28 1xrj s TYR 112 Cb -0.13 -2.02 0.06 0.00 0.35 0.00 0.00 41.96 40.22 1xrj s TYR 112 CO -0.12 0.62 0.02 0.34 -1.34 0.00 0.00 175.55 175.07 1xrj s ASP 113 N -1.60 4.89 0.52 4.32 -1.08 0.50 -4.89 116.67 119.34 1xrj s ASP 113 Ca 0.26 -1.40 0.30 0.00 -0.52 0.00 0.00 52.55 51.20 1xrj s ASP 113 Cb -0.13 -1.71 1.32 0.00 -1.46 0.00 0.00 42.92 40.94 1xrj s ASP 113 CO 0.15 -0.29 1.98 -0.26 0.52 0.00 0.00 175.17 177.27 1xrj h PHE 114 N 7.97 0.00 -0.19 -5.34 -1.00 -1.97 -0.59 116.94 115.82 1xrj h PHE 114 Ca -0.19 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.43 1xrj h PHE 114 Cb 1.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.62 1xrj h PHE 114 CO 0.60 0.09 -0.47 0.28 -1.61 0.00 0.00 178.31 177.20 1xrj h VAL 115 N 0.00 1.32 -0.26 -0.55 2.07 -1.91 -3.29 116.25 113.64 1xrj h VAL 115 Ca -0.00 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 65.81 1xrj h VAL 115 Cb 0.52 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1xrj h VAL 115 CO 0.01 0.53 0.00 -1.54 0.02 0.00 0.00 177.57 176.59 1xrj n SER 116 N -4.18 3.09 -3.81 0.57 3.41 -1.18 -4.97 113.62 106.56 1xrj n SER 116 Ca -0.06 -1.91 -0.28 0.00 -0.26 0.00 0.00 58.87 56.36 1xrj n SER 116 Cb 0.58 -0.16 0.04 0.00 -0.26 0.00 0.00 64.21 64.41 1xrj n SER 116 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1xrj n HIS 117 N 1.24 -2.49 -3.96 7.33 -0.00 -0.27 -4.96 115.22 112.12 1xrj n HIS 117 Ca 0.16 0.94 -0.08 0.00 -0.00 0.00 0.00 57.72 58.73 1xrj n HIS 117 Cb 0.54 -4.34 -0.08 0.00 -0.00 0.00 0.00 29.99 26.10 1xrj n HIS 117 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1xrj s SER 118 N -3.35 0.23 -0.04 0.41 1.04 -0.96 -4.68 113.70 106.36 1xrj s SER 118 Ca 0.62 -0.82 -0.24 0.00 0.48 0.00 0.00 55.95 55.98 1xrj s SER 118 Cb -0.30 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.09 1xrj s SER 118 CO 0.80 -0.71 0.73 -0.60 0.98 0.00 0.00 173.24 174.43 1xrj s ARG 119 N -3.91 4.45 0.81 4.02 3.52 -1.26 -0.37 118.95 126.22 1xrj s ARG 119 Ca 0.09 0.95 -0.12 0.00 -0.13 0.00 0.00 55.73 56.52 1xrj s ARG 119 Cb 0.06 -3.43 0.08 0.00 -1.56 0.00 0.00 34.95 30.10 1xrj s ARG 119 CO -0.08 0.11 1.12 0.15 -0.81 0.00 0.00 175.30 175.79 1xrj s LYS 120 N 0.60 1.96 0.18 5.12 1.02 0.14 -4.93 119.74 123.82 1xrj s LYS 120 Ca 0.39 0.45 0.14 0.00 0.02 0.00 0.00 55.97 56.97 1xrj s LYS 120 Cb -0.19 -1.92 -0.04 0.00 -0.52 0.00 0.00 37.83 35.16 1xrj s LYS 120 CO 0.20 -1.67 1.20 0.93 -0.92 0.00 0.00 175.35 175.10 1xrj h GLU 121 N -1.12 0.00 -7.05 1.68 5.08 -1.97 -3.42 114.58 107.79 1xrj h GLU 121 Ca -0.47 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.40 1xrj h GLU 121 Cb 1.29 0.00 0.04 0.00 0.50 0.00 0.00 28.75 30.58 1xrj h GLU 121 CO 0.62 0.50 0.41 -1.21 -1.00 0.00 0.00 179.01 178.32 1xrj s GLU 122 N -2.91 3.79 0.19 2.33 2.02 -1.26 -5.03 118.70 117.84 1xrj s GLU 122 Ca 0.01 1.48 0.02 0.00 0.02 0.00 0.00 54.97 56.50 1xrj s GLU 122 Cb 0.08 -2.20 -0.05 0.00 0.10 0.00 0.00 34.13 32.07 1xrj s GLU 122 CO 0.78 -0.46 0.00 0.95 0.02 0.00 0.00 175.26 176.55 1xrj s THR 123 N -1.83 0.80 -0.18 3.63 -4.23 -1.26 -3.96 115.64 108.61 1xrj s THR 123 Ca 0.66 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.16 1xrj s THR 123 Cb -0.20 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.43 1xrj s THR 123 CO 0.24 -0.41 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.09 1xrj s VAL 124 N -3.58 2.76 -0.11 2.29 1.01 -0.63 -4.98 120.40 117.16 1xrj s VAL 124 Ca 0.26 -0.72 -0.20 0.00 0.00 0.00 0.00 61.98 61.32 1xrj s VAL 124 Cb 0.06 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1xrj s VAL 124 CO 0.06 0.49 0.54 -0.89 0.00 0.00 0.00 175.10 175.31 1xrj s THR 125 N 1.08 5.14 -0.31 3.92 2.01 -1.26 -1.11 115.64 125.11 1xrj s THR 125 Ca -0.00 1.09 -0.05 0.00 0.31 0.00 0.00 61.69 63.04 1xrj s THR 125 Cb -0.14 -3.88 0.03 0.00 0.01 0.00 0.00 72.50 68.51 1xrj s THR 125 CO -0.04 0.29 0.06 -0.69 -0.69 0.00 0.00 174.62 173.56 1xrj s VAL 126 N 0.76 3.60 0.63 3.82 1.01 -0.04 -5.00 120.40 125.18 1xrj s VAL 126 Ca 0.29 -1.02 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 1xrj s VAL 126 Cb -0.16 -2.96 0.01 0.00 0.00 0.00 0.00 36.38 33.27 1xrj s VAL 126 CO 0.12 -0.04 0.98 -0.31 0.00 0.00 0.00 175.10 175.85 1xrj s TYR 127 N 1.40 3.30 -0.14 5.22 1.51 -1.26 -1.53 117.35 125.85 1xrj s TYR 127 Ca -0.01 0.83 -0.39 0.00 -1.01 0.00 0.00 57.07 56.49 1xrj s TYR 127 Cb -0.18 -2.86 -0.16 0.00 -0.11 0.00 0.00 41.96 38.65 1xrj s TYR 127 CO 0.01 -0.95 1.57 -2.30 -1.11 0.00 0.00 175.55 172.78 1xrj n PRO 128 N -2.75 1.09 -4.52 -1.71 -0.02 -1.26 -4.93 135.00 120.90 1xrj n PRO 128 Ca 0.05 0.40 -0.25 0.00 -2.02 0.00 0.00 63.50 61.68 1xrj n PRO 128 Cb 0.57 -2.06 -0.10 0.00 -0.02 0.00 0.00 33.50 31.89 1xrj n PRO 128 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xrj s ALA 129 N 2.29 2.83 -0.08 3.55 0.00 -1.26 -4.85 121.76 124.24 1xrj s ALA 129 Ca 0.93 -2.04 0.03 0.00 0.00 0.00 0.00 51.96 50.88 1xrj s ALA 129 Cb -1.04 -0.02 -0.25 0.00 0.00 0.00 0.00 23.12 21.81 1xrj s ALA 129 CO 0.59 0.07 0.54 -0.44 0.00 0.00 0.00 175.76 176.51 1xrj h ASP 130 N 2.09 0.22 -3.72 0.00 3.32 -1.18 -3.41 116.42 113.74 1xrj h ASP 130 Ca -0.41 -0.48 -0.43 0.00 0.02 0.00 0.00 57.03 55.73 1xrj h ASP 130 Cb 1.25 -0.07 -0.31 0.00 0.22 0.00 0.00 39.33 40.41 1xrj h ASP 130 CO 0.69 1.43 -0.78 -0.69 -1.72 0.00 0.00 179.24 178.16 1xrj s VAL 131 N -2.58 0.75 -0.08 -1.35 1.01 -0.38 -0.29 120.40 117.47 1xrj s VAL 131 Ca -0.13 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1xrj s VAL 131 Cb 0.07 -0.68 0.01 0.00 0.00 0.00 0.00 36.38 35.78 1xrj s VAL 131 CO 0.80 0.24 -0.14 -0.69 0.00 0.00 0.00 175.10 175.31 1xrj s VAL 132 N 0.35 1.34 -0.24 2.92 1.01 -0.45 -1.99 120.40 123.34 1xrj s VAL 132 Ca -0.06 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 1xrj s VAL 132 Cb -0.10 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1xrj s VAL 132 CO 0.01 0.40 0.10 -0.76 0.00 0.00 0.00 175.10 174.85 1xrj s LEU 133 N 0.74 3.69 -0.24 3.92 1.43 -0.03 -0.23 118.68 127.97 1xrj s LEU 133 Ca -0.12 -0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1xrj s LEU 133 Cb -0.16 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.10 1xrj s LEU 133 CO 0.03 0.01 -0.07 0.12 0.23 0.00 0.00 176.35 176.66 1xrj s PHE 134 N 1.37 3.03 0.04 0.29 5.36 -0.31 0.34 117.98 128.10 1xrj s PHE 134 Ca 0.06 -1.52 0.09 0.00 -0.96 0.00 0.00 56.93 54.59 1xrj s PHE 134 Cb -0.15 -2.05 -0.03 0.00 -0.34 0.00 0.00 43.02 40.46 1xrj s PHE 134 CO 0.05 -0.72 -0.25 -1.83 -1.46 0.00 0.00 175.22 171.01 1xrj s GLU 135 N 1.33 1.85 -0.29 10.12 4.04 -0.37 -0.25 118.70 135.13 1xrj s GLU 135 Ca 0.01 -1.09 -0.34 0.00 0.04 0.00 0.00 54.97 53.59 1xrj s GLU 135 Cb -0.16 -2.02 0.17 0.00 0.02 0.00 0.00 34.13 32.14 1xrj s GLU 135 CO -0.05 0.52 1.38 0.20 -1.84 0.00 0.00 175.26 175.46 1xrj s GLY 136 N -1.27 -0.07 0.59 -3.83 0.00 -0.77 -0.46 107.32 101.51 1xrj s GLY 136 Ca 0.12 2.33 0.39 0.00 0.00 0.00 0.00 44.72 47.56 1xrj s GLY 136 CO 0.03 0.84 2.20 0.16 0.00 0.00 0.00 173.10 176.33 1xrj h ILE 137 N 2.01 0.00 -0.22 0.90 3.07 -1.88 -2.79 117.51 118.61 1xrj h ILE 137 Ca -0.04 -0.08 -0.21 0.00 1.55 0.00 0.00 64.86 66.07 1xrj h ILE 137 Cb 1.15 1.00 -0.32 0.00 -0.27 0.00 0.00 36.82 38.38 1xrj h ILE 137 CO 0.20 0.00 -0.92 0.18 -1.05 0.00 0.00 178.15 176.56 1xrj n LEU 138 N -2.94 2.04 0.30 0.16 4.77 -1.26 -4.59 117.00 115.47 1xrj n LEU 138 Ca -0.02 -3.03 0.17 0.00 -0.03 0.00 0.00 56.01 53.10 1xrj n LEU 138 Cb 0.10 -0.02 0.96 0.00 -2.33 0.00 0.00 43.42 42.13 1xrj n LEU 138 CO 0.20 1.05 1.11 0.00 -1.33 0.00 0.00 177.39 178.41 1xrj h ALA 139 N 1.60 1.28 -0.47 -1.18 0.00 -1.77 -2.38 119.26 116.33 1xrj h ALA 139 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xrj h ALA 139 Cb 1.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1xrj h ALA 139 CO 0.19 0.03 0.00 1.19 0.00 0.00 0.00 179.25 180.66 1xrj n PHE 140 N -3.53 0.62 -0.11 0.00 0.99 -1.26 -4.54 117.46 109.63 1xrj n PHE 140 Ca -0.03 -0.43 -0.10 0.00 -0.00 0.00 0.00 57.45 56.89 1xrj n PHE 140 Cb 0.12 -0.01 -0.03 0.00 -1.00 0.00 0.00 39.48 38.56 1xrj n PHE 140 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1xrj h TYR 141 N 3.19 0.56 -3.37 1.38 3.20 -1.75 -3.43 116.97 116.75 1xrj h TYR 141 Ca 0.00 -0.07 -0.58 0.00 3.14 0.00 0.00 58.73 61.21 1xrj h TYR 141 Cb 0.84 -0.15 -0.08 0.00 1.54 0.00 0.00 36.73 38.88 1xrj h TYR 141 CO 0.31 0.60 0.19 0.45 -1.64 0.00 0.00 178.16 178.06 1xrj s SER 142 N -5.93 6.81 0.23 -2.11 0.15 -1.26 -4.97 113.70 106.61 1xrj s SER 142 Ca -0.13 0.99 -0.08 0.00 0.70 0.00 0.00 55.95 57.43 1xrj s SER 142 Cb 0.09 -2.39 0.24 0.00 -1.71 0.00 0.00 66.02 62.25 1xrj s SER 142 CO 0.75 -0.28 1.88 -0.61 1.20 0.00 0.00 173.24 176.18 1xrj h GLN 143 N 7.30 1.03 -0.45 5.44 4.15 -1.97 0.11 115.11 130.72 1xrj h GLN 143 Ca -0.33 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.04 1xrj h GLN 143 Cb 1.15 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 28.58 1xrj h GLN 143 CO 0.79 0.68 0.29 0.93 -1.93 0.00 0.00 178.83 179.59 1xrj h GLU 144 N 1.06 0.57 -0.23 1.69 5.08 -1.98 -1.06 114.58 119.71 1xrj h GLU 144 Ca 0.33 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.63 1xrj h GLU 144 Cb -0.02 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1xrj h GLU 144 CO -0.11 0.38 0.04 0.28 -1.00 0.00 0.00 179.01 178.60 1xrj h VAL 145 N 0.59 1.22 -0.56 3.13 2.07 -1.79 -3.09 116.25 117.82 1xrj h VAL 145 Ca 0.17 -0.73 0.10 0.00 0.82 0.00 0.00 66.70 67.06 1xrj h VAL 145 Cb -0.05 1.27 -0.08 0.00 -1.52 0.00 0.00 31.29 30.91 1xrj h VAL 145 CO -0.05 0.23 0.13 0.03 0.02 0.00 0.00 177.57 177.93 1xrj h ARG 146 N 0.18 0.26 0.00 1.57 3.08 -0.45 -0.48 114.38 118.54 1xrj h ARG 146 Ca 0.07 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1xrj h ARG 146 Cb 0.31 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1xrj h ARG 146 CO 0.00 0.17 0.00 -0.25 -1.07 0.00 0.00 179.97 178.82 1xrj n ASP 147 N -5.11 0.37 0.11 7.04 8.00 -0.43 -1.24 116.55 125.29 1xrj n ASP 147 Ca 0.08 0.64 0.12 0.00 0.71 0.00 0.00 54.79 56.34 1xrj n ASP 147 Cb 0.29 -0.70 0.27 0.00 -0.02 0.00 0.00 41.12 40.96 1xrj n ASP 147 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1xrj h LEU 148 N 0.00 0.00 -9.49 0.64 3.38 -1.05 -3.45 115.31 105.34 1xrj h LEU 148 Ca 0.00 -0.07 -0.56 0.00 0.09 0.00 0.00 57.88 57.34 1xrj h LEU 148 Cb 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 1xrj h LEU 148 CO 0.00 0.03 0.04 -0.36 0.09 0.00 0.00 178.44 178.25 1xrj s PHE 149 N -3.15 3.67 -0.74 1.13 2.99 -0.37 -4.57 117.98 116.94 1xrj s PHE 149 Ca 0.08 1.27 0.24 0.00 0.00 0.00 0.00 56.93 58.51 1xrj s PHE 149 Cb 0.11 -2.70 0.20 0.00 0.00 0.00 0.00 43.02 40.64 1xrj s PHE 149 CO 0.66 0.28 1.17 1.04 -0.00 0.00 0.00 175.22 178.37 1xrj n GLN 150 N 2.97 0.20 -3.76 0.44 6.02 0.44 -4.85 117.38 118.84 1xrj n GLN 150 Ca -0.05 0.02 -0.13 0.00 -0.01 0.00 0.00 57.00 56.83 1xrj n GLN 150 Cb 0.51 -1.58 -0.11 0.00 1.02 0.00 0.00 30.24 30.07 1xrj n GLN 150 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1xrj s MET 151 N -3.13 0.33 -0.13 -1.09 0.00 -1.19 -5.05 119.30 109.04 1xrj s MET 151 Ca 0.06 0.46 0.00 0.00 0.00 0.00 0.00 55.69 56.21 1xrj s MET 151 Cb 0.15 0.11 0.02 0.00 0.00 0.00 0.00 34.83 35.11 1xrj s MET 151 CO 0.76 -0.07 -0.11 0.15 0.00 0.00 0.00 175.02 175.76 1xrj s LYS 152 N 0.43 1.87 -0.01 4.11 1.02 -1.26 -0.66 119.74 125.24 1xrj s LYS 152 Ca -0.02 -0.39 0.04 0.00 0.02 0.00 0.00 55.97 55.62 1xrj s LYS 152 Cb -0.04 -1.80 -0.03 0.00 -0.52 0.00 0.00 37.83 35.44 1xrj s LYS 152 CO -0.02 -0.24 -0.12 -0.51 -0.92 0.00 0.00 175.35 173.54 1xrj s LEU 153 N 1.56 2.90 -0.13 3.17 1.43 0.09 -0.20 118.68 127.49 1xrj s LEU 153 Ca 0.04 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1xrj s LEU 153 Cb -0.13 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.46 1xrj s LEU 153 CO -0.09 0.30 -0.15 0.12 0.23 0.00 0.00 176.35 176.77 1xrj s PHE 154 N -0.89 2.10 -0.50 0.29 5.36 -0.61 -1.26 117.98 122.47 1xrj s PHE 154 Ca 0.14 -1.11 -0.22 0.00 -0.96 0.00 0.00 56.93 54.79 1xrj s PHE 154 Cb -0.11 -1.53 0.04 0.00 -0.34 0.00 0.00 43.02 41.08 1xrj s PHE 154 CO 0.04 -0.59 0.76 0.08 -1.46 0.00 0.00 175.22 174.05 1xrj s VAL 155 N 1.29 4.67 -0.38 3.12 1.01 0.33 -0.57 120.40 129.87 1xrj s VAL 155 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 61.98 61.83 1xrj s VAL 155 Cb -0.14 -4.37 0.00 0.00 0.00 0.00 0.00 36.38 31.88 1xrj s VAL 155 CO -0.07 -0.87 0.40 -0.62 0.00 0.00 0.00 175.10 173.95 1xrj s ASP 156 N 2.55 6.19 -0.03 3.32 2.15 -0.32 -4.37 116.67 126.17 1xrj s ASP 156 Ca 0.24 -0.42 0.02 0.00 0.43 0.00 0.00 52.55 52.81 1xrj s ASP 156 Cb -0.15 -2.21 0.01 0.00 -0.30 0.00 0.00 42.92 40.27 1xrj s ASP 156 CO 0.17 -0.45 -0.06 -0.89 -0.17 0.00 0.00 175.17 173.77 1xrj s THR 157 N 2.09 0.57 0.44 1.71 2.01 -1.26 -4.04 115.64 117.15 1xrj s THR 157 Ca 0.12 -0.20 -0.23 0.00 0.31 0.00 0.00 61.69 61.70 1xrj s THR 157 Cb -0.17 -0.55 -0.11 0.00 0.01 0.00 0.00 72.50 71.69 1xrj s THR 157 CO 0.13 0.21 0.81 0.47 -0.69 0.00 0.00 174.62 175.55 1xrj n ASP 158 N 3.64 0.33 -0.34 3.53 8.00 -1.26 -4.74 116.55 125.71 1xrj n ASP 158 Ca -0.21 0.96 -0.03 0.00 0.71 0.00 0.00 54.79 56.21 1xrj n ASP 158 Cb 0.53 -1.26 0.09 0.00 -0.02 0.00 0.00 41.12 40.46 1xrj n ASP 158 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xrj h ALA 159 N 1.13 1.15 -0.48 2.24 0.00 -1.99 -0.43 119.26 120.87 1xrj h ALA 159 Ca -0.43 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 1xrj h ALA 159 Cb 1.37 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1xrj h ALA 159 CO 0.54 0.59 -0.05 0.38 0.00 0.00 0.00 179.25 180.71 1xrj h ASP 160 N 1.24 0.82 -0.49 0.00 2.03 -1.99 0.07 116.42 118.09 1xrj h ASP 160 Ca 0.33 -0.23 -0.05 0.00 -0.73 0.00 0.00 57.03 56.34 1xrj h ASP 160 Cb -0.08 -0.22 -0.02 0.00 -0.83 0.00 0.00 39.33 38.18 1xrj h ASP 160 CO -0.06 0.92 0.10 0.74 -1.03 0.00 0.00 179.24 179.90 1xrj h THR 161 N 0.77 1.24 -0.29 1.15 2.02 -1.81 -2.13 112.91 113.87 1xrj h THR 161 Ca 0.14 -0.89 -0.09 0.00 0.77 0.00 0.00 66.41 66.34 1xrj h THR 161 Cb 0.54 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1xrj h THR 161 CO 0.03 0.32 -0.21 0.03 0.37 0.00 0.00 175.52 176.06 1xrj h ARG 162 N 0.68 0.53 -0.62 6.66 3.08 -0.81 -2.12 114.38 121.78 1xrj h ARG 162 Ca 0.15 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 1xrj h ARG 162 Cb 0.37 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1xrj h ARG 162 CO 0.01 0.71 0.05 1.25 -1.07 0.00 0.00 179.97 180.92 1xrj h LEU 163 N 0.48 1.02 -0.07 3.04 5.85 -0.69 0.88 115.31 125.82 1xrj h LEU 163 Ca 0.08 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1xrj h LEU 163 Cb 0.63 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1xrj h LEU 163 CO 0.04 1.04 0.03 -1.28 -0.34 0.00 0.00 178.44 177.94 1xrj h SER 164 N 0.98 0.09 -0.77 1.25 0.87 -1.14 -1.25 113.55 113.57 1xrj h SER 164 Ca 0.18 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1xrj h SER 164 Cb 0.49 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.39 1xrj h SER 164 CO 0.02 0.17 0.44 0.03 -0.53 0.00 0.00 176.83 176.96 1xrj h ARG 165 N -0.00 1.06 -0.77 2.24 3.08 -1.17 -2.64 114.38 116.18 1xrj h ARG 165 Ca 0.02 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 1xrj h ARG 165 Cb 0.10 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 1xrj h ARG 165 CO -0.00 0.77 0.27 -0.09 -1.07 0.00 0.00 179.97 179.85 1xrj h ARG 166 N 1.06 1.17 0.06 0.04 9.65 -0.59 -1.01 114.38 124.75 1xrj h ARG 166 Ca 0.27 -0.23 -0.00 0.00 -1.10 0.00 0.00 59.98 58.92 1xrj h ARG 166 Cb -0.00 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.40 1xrj h ARG 166 CO -0.05 0.97 -0.03 0.28 2.80 0.00 0.00 179.97 183.95 1xrj h VAL 167 N 1.13 0.98 -0.79 0.20 2.07 -1.02 0.28 116.25 119.10 1xrj h VAL 167 Ca 0.25 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.61 1xrj h VAL 167 Cb 0.27 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1xrj h VAL 167 CO -0.01 0.03 0.34 -0.07 0.02 0.00 0.00 177.57 177.88 1xrj h LEU 168 N -0.13 1.07 -0.05 2.57 3.38 -1.33 -2.33 115.31 118.48 1xrj h LEU 168 Ca -0.01 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1xrj h LEU 168 Cb 0.11 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1xrj h LEU 168 CO 0.01 0.93 -0.01 -0.09 0.09 0.00 0.00 178.44 179.37 1xrj h ARG 169 N 1.13 0.10 -0.41 1.13 2.43 -1.04 -2.37 114.38 115.36 1xrj h ARG 169 Ca 0.27 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.35 1xrj h ARG 169 Cb 0.17 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1xrj h ARG 169 CO -0.03 0.41 0.04 -0.44 -1.51 0.00 0.00 179.97 178.45 1xrj h ASP 170 N -0.23 0.59 -0.15 -3.80 5.19 -0.88 0.35 116.42 117.50 1xrj h ASP 170 Ca 0.01 -0.11 -0.07 0.00 -0.62 0.00 0.00 57.03 56.25 1xrj h ASP 170 Cb 0.37 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 39.73 1xrj h ASP 170 CO 0.00 0.63 -0.16 0.40 -3.12 0.00 0.00 179.24 176.99 1xrj h ILE 171 N 0.60 1.35 0.00 0.35 2.04 -1.44 -1.04 117.51 119.37 1xrj h ILE 171 Ca 0.13 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.65 1xrj h ILE 171 Cb 0.32 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1xrj h ILE 171 CO 0.01 0.40 -0.52 -1.54 0.00 0.00 0.00 178.15 176.49 1xrj n SER 172 N -4.53 0.68 0.00 1.72 3.41 -0.89 -3.87 113.62 110.13 1xrj n SER 172 Ca -0.06 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1xrj n SER 172 Cb 0.38 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1xrj n SER 172 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1xrj n GLU 173 N -2.07 2.85 -0.29 4.33 1.02 0.12 -4.80 120.64 121.79 1xrj n GLU 173 Ca 0.04 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.25 1xrj n GLU 173 Cb 0.43 -0.94 0.20 0.00 -0.02 0.00 0.00 31.44 31.11 1xrj n GLU 173 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1xrj n ARG 174 N -1.92 2.77 -4.10 3.49 1.74 -0.81 -4.90 116.66 112.93 1xrj n ARG 174 Ca 0.00 -2.47 -0.32 0.00 -0.77 0.00 0.00 57.85 54.29 1xrj n ARG 174 Cb 0.44 -1.57 -0.02 0.00 -1.02 0.00 0.00 32.46 30.29 1xrj n ARG 174 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xrj n GLY 175 N -0.25 -0.38 3.94 -0.13 0.00 -0.77 -4.62 105.19 102.98 1xrj n GLY 175 Ca 0.16 0.15 -0.25 0.00 0.00 0.00 0.00 46.02 46.08 1xrj n GLY 175 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xrj s ARG 176 N -6.78 3.41 0.06 1.61 1.81 -0.47 -5.00 118.95 113.60 1xrj s ARG 176 Ca 0.51 -0.66 -0.17 0.00 -1.72 0.00 0.00 55.73 53.69 1xrj s ARG 176 Cb -0.27 -2.93 -0.06 0.00 -0.45 0.00 0.00 34.95 31.24 1xrj s ARG 176 CO 0.90 0.49 0.52 -0.51 -0.68 0.00 0.00 175.30 176.03 1xrj s ASP 177 N -3.43 6.96 0.15 0.23 1.01 -1.26 -4.23 116.67 116.10 1xrj s ASP 177 Ca 0.34 1.15 -0.27 0.00 0.71 0.00 0.00 52.55 54.48 1xrj s ASP 177 Cb -0.10 -2.32 -0.01 0.00 1.01 0.00 0.00 42.92 41.50 1xrj s ASP 177 CO 0.28 0.27 1.57 0.25 0.21 0.00 0.00 175.17 177.75 1xrj h LEU 178 N 4.44 -1.46 -1.62 1.23 5.85 -1.98 -0.78 115.31 120.99 1xrj h LEU 178 Ca -0.50 0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 1xrj h LEU 178 Cb 1.21 0.63 -0.01 0.00 0.37 0.00 0.00 40.66 42.86 1xrj h LEU 178 CO 0.63 -0.37 0.03 -0.33 -0.34 0.00 0.00 178.44 178.06 1xrj h GLU 179 N -0.34 0.27 -0.17 1.25 5.08 -1.99 -1.47 114.58 117.20 1xrj h GLU 179 Ca 0.13 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.29 1xrj h GLU 179 Cb 0.59 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1xrj h GLU 179 CO -0.57 0.27 -0.58 0.37 -1.00 0.00 0.00 179.01 177.50 1xrj h GLN 180 N 0.27 0.56 -0.27 2.33 4.15 -1.73 -1.34 115.11 119.09 1xrj h GLN 180 Ca 0.07 -0.37 -0.03 0.00 0.77 0.00 0.00 58.65 59.09 1xrj h GLN 180 Cb 0.13 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 1xrj h GLN 180 CO -0.00 0.98 0.07 0.82 -1.93 0.00 0.00 178.83 178.77 1xrj h ILE 181 N 0.42 1.21 -0.59 2.39 2.04 -0.32 -0.20 117.51 122.47 1xrj h ILE 181 Ca 0.00 -0.70 -0.08 0.00 1.00 0.00 0.00 64.86 65.07 1xrj h ILE 181 Cb 1.14 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 1xrj h ILE 181 CO 0.11 0.23 0.03 -0.07 0.00 0.00 0.00 178.15 178.45 1xrj h LEU 182 N 0.26 0.96 -0.16 1.44 3.38 -1.24 0.28 115.31 120.24 1xrj h LEU 182 Ca 0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1xrj h LEU 182 Cb 0.28 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1xrj h LEU 182 CO 0.00 1.00 0.06 -1.28 0.09 0.00 0.00 178.44 178.31 1xrj h SER 183 N 0.92 0.22 -0.89 -0.43 0.87 -1.09 -0.96 113.55 112.19 1xrj h SER 183 Ca 0.17 -0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1xrj h SER 183 Cb 0.49 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.35 1xrj h SER 183 CO 0.02 0.33 0.48 -0.61 -0.53 0.00 0.00 176.83 176.53 1xrj h GLN 184 N 0.09 1.24 -0.04 2.24 4.15 -0.86 -0.81 115.11 121.13 1xrj h GLN 184 Ca 0.05 -0.15 -0.00 0.00 0.77 0.00 0.00 58.65 59.32 1xrj h GLN 184 Cb 0.18 -0.24 -0.00 0.00 0.21 0.00 0.00 27.48 27.63 1xrj h GLN 184 CO -0.00 0.91 0.01 -0.92 -1.93 0.00 0.00 178.83 176.89 1xrj h TYR 185 N 1.25 0.07 -0.40 3.99 3.20 -0.72 -0.39 116.97 123.97 1xrj h TYR 185 Ca 0.31 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 62.04 1xrj h TYR 185 Cb 0.03 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 1xrj h TYR 185 CO 0.01 0.29 -0.26 0.82 -1.64 0.00 0.00 178.16 177.38 1xrj h ILE 186 N -0.18 1.27 -0.01 1.81 1.08 -1.06 0.58 117.51 121.00 1xrj h ILE 186 Ca 0.01 -1.41 -0.21 0.00 -0.39 0.00 0.00 64.86 62.87 1xrj h ILE 186 Cb 0.26 1.24 0.02 0.00 -3.07 0.00 0.00 36.82 35.27 1xrj h ILE 186 CO 0.00 0.47 -0.80 0.74 -0.69 0.00 0.00 178.15 177.88 1xrj h THR 187 N 0.72 1.35 0.00 -0.27 2.02 -1.16 -3.41 112.91 112.17 1xrj h THR 187 Ca 0.09 -2.14 0.00 0.00 0.77 0.00 0.00 66.41 65.13 1xrj h THR 187 Cb 0.81 2.46 0.00 0.00 -1.74 0.00 0.00 68.15 69.68 1xrj h THR 187 CO 0.07 0.64 -0.96 0.49 0.37 0.00 0.00 175.52 176.13 1xrj n PHE 188 N -4.05 -0.00 0.08 3.16 3.01 -0.19 -4.68 117.46 114.79 1xrj n PHE 188 Ca -0.10 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.24 1xrj n PHE 188 Cb 0.76 0.01 -0.05 0.00 -0.01 0.00 0.00 39.48 40.19 1xrj n PHE 188 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1xrj h VAL 189 N 0.00 0.64 0.01 -4.37 2.07 -1.16 -1.19 116.25 112.26 1xrj h VAL 189 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1xrj h VAL 189 Cb 0.96 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1xrj h VAL 189 CO 0.00 0.00 -0.01 0.50 0.02 0.00 0.00 177.57 178.08 1xrj h LYS 190 N -0.29 -0.02 -0.83 1.57 3.64 -1.15 -1.22 116.57 118.28 1xrj h LYS 190 Ca 0.03 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1xrj h LYS 190 Cb 0.32 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 1xrj h LYS 190 CO -0.10 0.18 0.47 -1.35 -2.27 0.00 0.00 179.45 176.38 1xrj h PRO 191 N -0.21 1.14 -0.31 1.90 0.11 -1.78 -2.11 132.00 130.75 1xrj h PRO 191 Ca -0.00 -0.12 -0.12 0.00 0.11 0.00 0.00 66.00 65.87 1xrj h PRO 191 Cb 0.20 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 1xrj h PRO 191 CO 0.00 0.82 -0.31 0.00 -0.21 0.00 0.00 178.00 178.31 1xrj h ALA 192 N 1.25 0.88 -0.13 -0.75 0.00 -1.18 -1.40 119.26 117.94 1xrj h ALA 192 Ca 0.29 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1xrj h ALA 192 Cb -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1xrj h ALA 192 CO -0.05 0.63 0.06 0.35 0.00 0.00 0.00 179.25 180.24 1xrj h PHE 193 N 0.55 0.19 -0.27 0.00 3.57 -0.95 0.16 116.94 120.19 1xrj h PHE 193 Ca 0.07 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.47 1xrj h PHE 193 Cb 0.81 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 1xrj h PHE 193 CO 0.04 0.24 -0.20 0.93 -2.23 0.00 0.00 178.31 177.09 1xrj h GLU 194 N 0.08 0.50 0.20 1.11 5.08 -1.30 0.12 114.58 120.37 1xrj h GLU 194 Ca 0.04 -0.17 -0.34 0.00 -1.00 0.00 0.00 59.36 57.89 1xrj h GLU 194 Cb 0.13 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.36 1xrj h GLU 194 CO -0.01 0.68 -1.65 1.49 -1.00 0.00 0.00 179.01 178.52 1xrj h GLU 195 N 0.45 0.43 0.00 2.33 4.81 -1.12 -3.39 114.58 118.08 1xrj h GLU 195 Ca 0.07 -0.73 -0.25 0.00 -0.13 0.00 0.00 59.36 58.32 1xrj h GLU 195 Cb 0.61 0.27 -0.05 0.00 0.63 0.00 0.00 28.75 30.21 1xrj h GLU 195 CO 0.04 1.35 -1.95 1.19 -0.73 0.00 0.00 179.01 178.91 1xrj n PHE 196 N -3.65 0.00 -0.10 0.92 3.01 0.56 -4.64 117.46 113.57 1xrj n PHE 196 Ca -0.23 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.05 1xrj n PHE 196 Cb 1.07 -0.67 -0.10 0.00 -0.01 0.00 0.00 39.48 39.77 1xrj n PHE 196 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xrj h LEU 198 N -1.00 0.43 -1.00 0.00 5.85 -1.02 0.10 115.31 118.67 1xrj h LEU 198 Ca -0.26 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1xrj h LEU 198 Cb 1.14 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1xrj h LEU 198 CO -0.16 0.11 0.00 -2.65 -0.34 0.00 0.00 178.44 175.40 1xrj n PRO 199 N -4.96 0.14 0.01 5.25 -0.02 -1.26 -1.95 135.00 132.21 1xrj n PRO 199 Ca 0.20 0.53 0.11 0.00 -2.02 0.00 0.00 63.50 62.32 1xrj n PRO 199 Cb 0.55 -1.88 0.07 0.00 -0.02 0.00 0.00 33.50 32.22 1xrj n PRO 199 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1xrj n THR 200 N -2.17 0.04 -0.07 3.45 -2.24 0.35 -4.22 114.28 109.43 1xrj n THR 200 Ca 0.00 -0.06 0.11 0.00 -2.27 0.00 0.00 64.05 61.83 1xrj n THR 200 Cb 0.11 0.49 0.49 0.00 -2.10 0.00 0.00 70.33 69.32 1xrj n THR 200 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1xrj h LYS 201 N 0.00 0.41 0.00 -0.78 3.64 -1.35 -0.76 116.57 117.73 1xrj h LYS 201 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1xrj h LYS 201 Cb 0.56 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1xrj h LYS 201 CO 0.00 0.27 0.00 1.57 -2.27 0.00 0.00 179.45 179.02 1xrj h LYS 202 N 0.43 0.00 0.00 1.90 2.10 -1.78 -1.62 116.57 117.60 1xrj h LYS 202 Ca 0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.91 1xrj h LYS 202 Cb 0.45 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 1xrj h LYS 202 CO -0.07 0.00 -0.31 0.66 -2.00 0.00 0.00 179.45 177.73 1xrj n TYR 203 N -2.54 0.12 -2.43 0.07 0.53 -0.29 -4.89 117.16 107.72 1xrj n TYR 203 Ca -0.01 0.04 -0.37 0.00 -1.02 0.00 0.00 57.90 56.53 1xrj n TYR 203 Cb 0.09 -0.43 -0.03 0.00 -1.03 0.00 0.00 39.34 37.95 1xrj n TYR 203 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1xrj s ALA 204 N -3.03 3.06 -0.07 -0.72 0.00 -0.61 -4.85 121.76 115.55 1xrj s ALA 204 Ca 0.11 0.80 -0.03 0.00 0.00 0.00 0.00 51.96 52.84 1xrj s ALA 204 Cb 0.17 -3.32 -0.27 0.00 0.00 0.00 0.00 23.12 19.71 1xrj s ALA 204 CO 0.64 -0.38 0.56 -0.44 0.00 0.00 0.00 175.76 176.14 1xrj h ASP 205 N 2.38 0.37 -3.84 0.00 3.32 -0.91 -3.47 116.42 114.26 1xrj h ASP 205 Ca -0.49 -0.70 -0.39 0.00 0.02 0.00 0.00 57.03 55.47 1xrj h ASP 205 Cb 1.23 -0.12 -0.30 0.00 0.22 0.00 0.00 39.33 40.35 1xrj h ASP 205 CO 0.62 1.61 -0.78 -0.69 -1.72 0.00 0.00 179.24 178.29 1xrj s VAL 206 N -2.58 0.64 -0.17 -1.35 1.01 -1.07 -5.06 120.40 111.82 1xrj s VAL 206 Ca -0.16 -0.30 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 1xrj s VAL 206 Cb 0.07 -0.57 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 1xrj s VAL 206 CO 0.81 0.20 -0.01 -0.63 0.00 0.00 0.00 175.10 175.47 1xrj s ILE 207 N 0.13 4.09 -0.27 2.22 1.01 -1.26 -1.57 121.20 125.55 1xrj s ILE 207 Ca -0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 1xrj s ILE 207 Cb -0.07 -2.82 0.03 0.00 0.01 0.00 0.00 42.46 39.61 1xrj s ILE 207 CO 0.00 0.47 -0.01 -0.63 0.00 0.00 0.00 174.94 174.77 1xrj s ILE 208 N 0.50 3.14 0.58 2.92 1.01 0.26 -4.96 121.20 124.66 1xrj s ILE 208 Ca -0.02 -1.06 -0.01 0.00 0.00 0.00 0.00 60.65 59.57 1xrj s ILE 208 Cb -0.14 -2.66 0.04 0.00 0.01 0.00 0.00 42.46 39.71 1xrj s ILE 208 CO 0.02 0.08 0.83 -2.16 0.00 0.00 0.00 174.94 173.72 1xrj s PRO 209 N 1.34 2.48 -1.38 2.79 0.04 -1.26 -1.17 135.00 137.84 1xrj s PRO 209 Ca -0.01 -0.65 0.00 0.00 0.04 0.00 0.00 61.00 60.38 1xrj s PRO 209 Cb -0.18 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 31.95 1xrj s PRO 209 CO -0.02 -0.82 0.00 0.54 0.04 0.00 0.00 177.00 176.74 1xrj n ARG 210 N -2.47 -1.63 0.00 4.56 1.74 -1.26 -4.53 116.66 113.07 1xrj n ARG 210 Ca 0.08 0.93 0.00 0.00 -0.77 0.00 0.00 57.85 58.09 1xrj n ARG 210 Cb 0.60 -5.31 0.00 0.00 -1.02 0.00 0.00 32.46 26.73 1xrj n ARG 210 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xrj n GLY 211 N 0.09 2.47 0.27 -0.13 0.00 -1.26 -1.77 105.19 104.86 1xrj n GLY 211 Ca -0.13 0.02 0.18 0.00 0.00 0.00 0.00 46.02 46.09 1xrj n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xrj h ALA 212 N 0.00 1.00 -0.00 4.61 0.00 -1.84 -1.92 119.26 121.11 1xrj h ALA 212 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xrj h ALA 212 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xrj h ALA 212 CO 0.00 0.00 -0.09 -0.25 0.00 0.00 0.00 179.25 178.91 1xrj n ASP 213 N -2.79 0.45 -4.53 0.00 8.00 -0.73 -4.58 116.55 112.38 1xrj n ASP 213 Ca -0.02 -0.63 -0.43 0.00 0.71 0.00 0.00 54.79 54.42 1xrj n ASP 213 Cb 0.08 -0.08 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 1xrj n ASP 213 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1xrj s ASN 214 N -2.42 6.82 0.27 -2.24 3.84 -0.72 -4.82 114.94 115.67 1xrj s ASN 214 Ca 0.31 -2.38 -0.03 0.00 0.21 0.00 0.00 52.86 50.96 1xrj s ASN 214 Cb 0.20 -2.51 0.34 0.00 -0.55 0.00 0.00 41.25 38.74 1xrj s ASN 214 CO 0.46 -1.10 1.85 -0.07 -2.79 0.00 0.00 177.10 175.46 1xrj h LEU 215 N 11.54 0.93 0.05 3.21 3.38 -1.88 -1.92 115.31 130.63 1xrj h LEU 215 Ca 0.33 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1xrj h LEU 215 Cb 0.91 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1xrj h LEU 215 CO 1.35 0.80 -0.03 0.58 0.09 0.00 0.00 178.44 181.24 1xrj h VAL 216 N 1.00 1.03 -0.48 1.22 2.07 -1.99 -0.06 116.25 119.05 1xrj h VAL 216 Ca 0.24 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1xrj h VAL 216 Cb 0.15 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1xrj h VAL 216 CO -0.03 0.07 0.24 0.00 0.02 0.00 0.00 177.57 177.88 1xrj h ALA 217 N 0.74 0.62 -0.28 1.67 0.00 -1.95 -1.48 119.26 118.58 1xrj h ALA 217 Ca -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1xrj h ALA 217 Cb 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1xrj h ALA 217 CO 0.01 0.17 0.15 0.82 0.00 0.00 0.00 179.25 180.40 1xrj h ILE 218 N 0.63 1.13 -0.01 0.00 2.04 -1.26 -2.08 117.51 117.96 1xrj h ILE 218 Ca 0.17 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 1xrj h ILE 218 Cb 0.09 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1xrj h ILE 218 CO -0.02 0.13 -0.17 0.78 0.00 0.00 0.00 178.15 178.87 1xrj h ASN 219 N 0.33 0.02 -0.34 1.72 2.35 -0.85 -0.61 115.58 118.20 1xrj h ASN 219 Ca 0.10 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 1xrj h ASN 219 Cb 0.08 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1xrj h ASN 219 CO -0.01 0.19 0.05 0.25 -1.65 0.00 0.00 177.43 176.25 1xrj h LEU 220 N 0.02 0.55 -0.46 1.61 5.85 -0.75 -0.41 115.31 121.72 1xrj h LEU 220 Ca 0.00 -0.27 -0.11 0.00 0.84 0.00 0.00 57.88 58.35 1xrj h LEU 220 Cb 0.31 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1xrj h LEU 220 CO 0.02 0.68 -0.13 0.40 -0.34 0.00 0.00 178.44 179.07 1xrj h ILE 221 N 0.40 1.27 -0.17 4.05 1.08 -0.80 -1.85 117.51 121.48 1xrj h ILE 221 Ca 0.10 -1.25 0.02 0.00 -0.39 0.00 0.00 64.86 63.34 1xrj h ILE 221 Cb 0.36 1.13 -0.02 0.00 -3.07 0.00 0.00 36.82 35.22 1xrj h ILE 221 CO 0.01 0.43 0.03 0.58 -0.69 0.00 0.00 178.15 178.51 1xrj h VAL 222 N 0.73 0.92 -0.80 1.67 2.07 -0.97 -0.34 116.25 119.53 1xrj h VAL 222 Ca 0.11 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.61 1xrj h VAL 222 Cb 0.68 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1xrj h VAL 222 CO 0.05 0.02 0.53 -0.61 0.02 0.00 0.00 177.57 177.58 1xrj h GLN 223 N 0.10 1.05 -0.59 1.57 -0.00 -0.98 0.75 115.11 117.02 1xrj h GLN 223 Ca 0.08 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.65 58.64 1xrj h GLN 223 Cb 0.07 -0.24 -0.03 0.00 0.00 0.00 0.00 27.48 27.29 1xrj h GLN 223 CO -0.11 0.69 0.27 1.25 0.00 0.00 0.00 178.83 180.94 1xrj h HIS 224 N 1.08 0.85 -0.30 3.99 2.76 -0.88 -1.28 115.15 121.37 1xrj h HIS 224 Ca 0.30 -0.05 -0.06 0.00 -2.20 0.00 0.00 60.37 58.36 1xrj h HIS 224 Cb -0.12 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.57 1xrj h HIS 224 CO -0.02 0.66 -0.06 0.82 -1.30 0.00 0.00 177.93 178.03 1xrj h ILE 225 N 0.80 1.28 -0.52 6.26 2.04 -0.66 -2.37 117.51 124.34 1xrj h ILE 225 Ca 0.20 -1.08 0.04 0.00 1.00 0.00 0.00 64.86 65.02 1xrj h ILE 225 Cb 0.13 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1xrj h ILE 225 CO -0.02 0.35 0.35 -0.61 0.00 0.00 0.00 178.15 178.21 1xrj h GLN 226 N 0.34 0.54 -0.34 2.37 5.75 -0.64 -0.51 115.11 122.63 1xrj h GLN 226 Ca 0.08 -0.03 -0.13 0.00 -0.15 0.00 0.00 58.65 58.42 1xrj h GLN 226 Cb 0.53 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.95 1xrj h GLN 226 CO 0.03 0.36 -0.31 0.22 -2.65 0.00 0.00 178.83 176.48 1xrj h ASP 227 N 0.56 0.75 -0.15 -0.69 1.82 -0.99 -1.43 116.42 116.29 1xrj h ASP 227 Ca 0.21 -0.30 -0.10 0.00 -0.39 0.00 0.00 57.03 56.46 1xrj h ASP 227 Cb 0.15 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 39.93 1xrj h ASP 227 CO -0.06 1.01 -0.21 0.40 -1.61 0.00 0.00 179.24 178.77 1xrj h ILE 228 N 0.62 1.26 -0.25 2.25 2.04 -0.63 -2.70 117.51 120.10 1xrj h ILE 228 Ca 0.07 -1.24 -0.18 0.00 1.00 0.00 0.00 64.86 64.51 1xrj h ILE 228 Cb 0.82 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1xrj h ILE 228 CO 0.07 0.40 -0.57 -0.07 0.00 0.00 0.00 178.15 177.99 1xrj h LEU 229 N 0.52 0.89 -1.60 1.44 3.38 -0.90 -3.08 115.31 115.95 1xrj h LEU 229 Ca 0.08 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 1xrj h LEU 229 Cb 0.65 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1xrj h LEU 229 CO 0.05 1.26 -0.20 0.78 0.09 0.00 0.00 178.44 180.42 1xrj h ASN 230 N 0.60 0.00 0.00 -0.43 2.35 -1.10 -3.51 115.58 113.48 1xrj h ASN 230 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1xrj h ASN 230 Cb 1.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.53 1xrj h ASN 230 CO 0.12 0.20 0.00 0.61 -1.65 0.00 0.00 177.43 176.71