#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xrj s PHE 21 N 0.00 3.00 -0.13 6.00 5.36 -0.09 -4.96 117.98 127.16 1xrj s PHE 21 Ca 0.00 -0.23 -0.18 0.00 -0.96 0.00 0.00 56.93 55.56 1xrj s PHE 21 Cb 0.00 -3.57 -0.04 0.00 -0.34 0.00 0.00 43.02 39.07 1xrj s PHE 21 CO 0.00 -1.03 0.49 -0.51 -1.46 0.00 0.00 175.22 172.71 1xrj s LEU 22 N 2.98 4.26 -0.19 6.12 1.02 -1.26 -1.40 118.68 130.21 1xrj s LEU 22 Ca 0.21 0.80 -0.01 0.00 0.02 0.00 0.00 54.13 55.16 1xrj s LEU 22 Cb -0.16 -2.70 0.01 0.00 0.02 0.00 0.00 46.19 43.36 1xrj s LEU 22 CO 0.16 -0.02 -0.15 -0.63 0.02 0.00 0.00 176.35 175.73 1xrj s ILE 23 N 0.76 2.53 -0.03 -0.59 1.01 0.63 -0.98 121.20 124.53 1xrj s ILE 23 Ca 0.26 -0.78 -0.15 0.00 0.00 0.00 0.00 60.65 59.98 1xrj s ILE 23 Cb -0.15 -2.10 -0.05 0.00 0.01 0.00 0.00 42.46 40.17 1xrj s ILE 23 CO 0.10 0.50 0.40 -0.83 0.00 0.00 0.00 174.94 175.11 1xrj s GLY 24 N 1.28 2.44 -0.07 6.18 0.00 0.26 -1.06 107.32 116.34 1xrj s GLY 24 Ca 0.04 -0.25 0.01 0.00 0.00 0.00 0.00 44.72 44.52 1xrj s GLY 24 CO -0.08 0.22 -0.08 0.14 0.00 0.00 0.00 173.10 173.29 1xrj s VAL 25 N -0.76 0.91 0.20 1.40 1.01 0.40 -0.46 120.40 123.10 1xrj s VAL 25 Ca 0.23 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1xrj s VAL 25 Cb -0.16 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 1xrj s VAL 25 CO 0.12 0.32 0.09 -0.24 0.00 0.00 0.00 175.10 175.38 1xrj n SER 26 N 4.17 0.85 0.00 3.32 2.88 -0.20 -1.54 113.62 123.10 1xrj n SER 26 Ca -0.21 -2.12 0.00 0.00 -1.33 0.00 0.00 58.87 55.21 1xrj n SER 26 Cb 0.51 0.59 0.00 0.00 -0.75 0.00 0.00 64.21 64.56 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 0.55 3.50 3.58 0.46 0.00 -1.26 -0.89 105.19 111.13 1xrj n GLY 27 Ca -0.02 -1.42 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 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 1.55 0.31 -0.02 0.00 -1.26 -4.16 107.32 103.73 1xrj s GLY 28 Ca 0.00 -0.55 -0.30 0.00 0.00 0.00 0.00 44.72 43.87 1xrj s GLY 28 CO 0.00 0.21 1.54 -0.37 0.00 0.00 0.00 173.10 174.48 1xrj n THR 29 N -4.66 1.25 -1.85 0.90 5.66 -1.26 -2.00 114.28 112.32 1xrj n THR 29 Ca 0.08 -0.31 -0.21 0.00 -3.05 0.00 0.00 64.05 60.56 1xrj n THR 29 Cb 0.58 -1.89 -0.06 0.00 -1.55 0.00 0.00 70.33 67.41 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 1.70 -0.41 0.18 1.79 0.00 -1.26 -4.76 120.51 117.75 1xrj n ALA 30 Ca 0.07 0.28 0.05 0.00 0.00 0.00 0.00 53.44 53.84 1xrj n ALA 30 Cb 0.36 -2.07 0.33 0.00 0.00 0.00 0.00 19.45 18.07 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 -3.43 113.55 113.02 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 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1xrj h SER 31 CO 0.60 0.40 0.00 0.61 -0.87 0.00 0.00 176.83 177.58 1xrj n GLY 32 N 0.13 1.50 0.13 -0.77 0.00 -1.26 -4.30 105.19 100.61 1xrj n GLY 32 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 -0.03 -0.22 1.61 1.57 -1.89 0.75 116.57 118.36 1xrj h LYS 33 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1xrj h LYS 33 Cb 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1xrj h LYS 33 CO 0.00 -0.02 0.05 0.77 -0.57 0.00 0.00 179.45 179.69 1xrj h SER 34 N -0.03 0.34 0.31 0.86 0.02 -1.96 -2.22 113.55 110.87 1xrj h SER 34 Ca 0.12 -0.23 -0.08 0.00 -0.84 0.00 0.00 61.79 60.75 1xrj h SER 34 Cb 0.20 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1xrj h SER 34 CO -0.25 0.48 -0.35 0.77 -1.14 0.00 0.00 176.83 176.33 1xrj h SER 35 N 0.18 0.06 -0.12 3.07 4.64 -1.95 -0.91 113.55 118.52 1xrj h SER 35 Ca 0.07 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 1xrj h SER 35 Cb 0.27 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1xrj h SER 35 CO 0.00 0.42 -0.06 0.58 -0.87 0.00 0.00 176.83 176.89 1xrj h VAL 36 N 0.06 1.32 -0.58 0.95 2.07 -0.73 -1.11 116.25 118.23 1xrj h VAL 36 Ca 0.00 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 1xrj h VAL 36 Cb 0.66 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 1xrj h VAL 36 CO 0.05 0.32 0.32 0.00 0.02 0.00 0.00 177.57 178.27 1xrj h ALA 38 N 1.14 1.20 -0.37 0.00 0.00 -1.12 -2.04 119.26 118.08 1xrj h ALA 38 Ca 0.20 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1xrj h ALA 38 Cb 0.05 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1xrj h ALA 38 CO -0.03 0.64 -0.29 -0.22 0.00 0.00 0.00 179.25 179.35 1xrj h LYS 39 N 1.29 0.79 0.23 0.00 3.64 -0.86 -1.46 116.57 120.20 1xrj h LYS 39 Ca 0.34 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1xrj h LYS 39 Cb -0.08 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1xrj h LYS 39 CO -0.07 0.98 -0.11 0.82 -2.27 0.00 0.00 179.45 178.80 1xrj h ILE 40 N 0.67 0.79 -0.04 2.00 2.04 -0.75 0.27 117.51 122.49 1xrj h ILE 40 Ca 0.08 -0.06 -0.07 0.00 1.00 0.00 0.00 64.86 65.81 1xrj h ILE 40 Cb 0.82 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1xrj h ILE 40 CO 0.07 0.01 -0.31 -0.37 0.00 0.00 0.00 178.15 177.55 1xrj h VAL 41 N -0.34 1.24 -0.16 1.67 -1.51 -1.35 -1.64 116.25 114.17 1xrj h VAL 41 Ca -0.03 -1.14 -0.03 0.00 -1.23 0.00 0.00 66.70 64.27 1xrj h VAL 41 Cb 0.26 1.56 -0.01 0.00 -2.13 0.00 0.00 31.29 30.97 1xrj h VAL 41 CO 0.05 0.33 -0.00 -0.61 -1.23 0.00 0.00 177.57 176.11 1xrj h GLN 42 N 0.07 0.28 0.00 5.19 -0.00 -0.99 -1.00 115.11 118.66 1xrj h GLN 42 Ca 0.01 -0.09 -0.02 0.00 -0.00 0.00 0.00 58.65 58.55 1xrj h GLN 42 Cb 0.59 -0.02 -0.00 0.00 0.00 0.00 0.00 27.48 28.04 1xrj h GLN 42 CO 0.04 0.51 -0.07 -0.07 0.00 0.00 0.00 178.83 179.24 1xrj h LEU 43 N 0.02 0.00 -0.55 -2.39 3.38 -0.69 -1.41 115.31 113.67 1xrj h LEU 43 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1xrj h LEU 43 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1xrj h LEU 43 CO 0.01 0.07 0.00 0.18 0.09 0.00 0.00 178.44 178.79 1xrj n LEU 44 N -3.27 0.85 -0.29 1.67 4.77 -0.64 -4.90 117.00 115.19 1xrj n LEU 44 Ca -0.01 -0.31 -0.04 0.00 -0.03 0.00 0.00 56.01 55.63 1xrj n LEU 44 Cb 0.28 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 1xrj n LEU 44 CO 0.28 0.15 -0.04 0.61 -1.33 0.00 0.00 177.39 177.07 1xrj n GLY 45 N 1.06 0.64 0.27 -0.72 0.00 -0.53 -4.90 105.19 101.02 1xrj n GLY 45 Ca 0.20 -0.35 0.16 0.00 0.00 0.00 0.00 46.02 46.02 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 0.32 0.00 0.00 1.61 1.08 -1.39 -2.45 115.11 114.28 1xrj h GLN 46 Ca -0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1xrj h GLN 46 Cb 0.43 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 1xrj h GLN 46 CO 0.11 0.06 0.00 0.09 -0.95 0.00 0.00 178.83 178.14 1xrj n ASN 47 N -3.20 0.21 -1.19 1.46 3.02 -1.26 -2.49 115.26 111.81 1xrj n ASN 47 Ca 0.00 0.54 0.09 0.00 -0.03 0.00 0.00 54.58 55.17 1xrj n ASN 47 Cb 0.31 -0.59 0.28 0.00 -0.61 0.00 0.00 39.78 39.17 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 -1.71 3.19 -4.63 3.52 4.71 -0.92 -4.94 120.64 119.86 1xrj n GLU 48 Ca 0.05 -2.61 -0.32 0.00 -0.01 0.00 0.00 57.16 54.27 1xrj n GLU 48 Cb 0.27 -1.64 -0.12 0.00 -1.01 0.00 0.00 31.44 28.94 1xrj n GLU 48 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1xrj s VAL 49 N -1.55 3.39 0.44 2.62 1.01 -1.04 -5.09 120.40 120.18 1xrj s VAL 49 Ca 0.42 -0.76 -0.26 0.00 0.00 0.00 0.00 61.98 61.38 1xrj s VAL 49 Cb 0.26 -2.42 -0.09 0.00 0.00 0.00 0.00 36.38 34.13 1xrj s VAL 49 CO 0.22 0.48 1.42 0.47 0.00 0.00 0.00 175.10 177.69 1xrj n ASP 50 N 1.88 3.27 -0.34 3.32 8.00 -1.26 -4.72 116.55 126.69 1xrj n ASP 50 Ca -0.16 1.13 0.03 0.00 0.71 0.00 0.00 54.79 56.49 1xrj n ASP 50 Cb 0.52 -1.59 0.10 0.00 -0.02 0.00 0.00 41.12 40.13 1xrj n ASP 50 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1xrj h TYR 51 N 2.33 -0.66 0.00 1.24 3.20 -1.99 0.49 116.97 121.58 1xrj h TYR 51 Ca -0.50 0.09 -0.03 0.00 3.14 0.00 0.00 58.73 61.42 1xrj h TYR 51 Cb 1.27 0.43 -0.00 0.00 1.54 0.00 0.00 36.73 39.97 1xrj h TYR 51 CO 0.50 -0.40 -0.17 -0.09 -1.64 0.00 0.00 178.16 176.36 1xrj h ARG 52 N -0.01 0.00 -0.00 1.82 9.65 -2.00 -3.01 114.38 120.82 1xrj h ARG 52 Ca 0.41 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.29 1xrj h ARG 52 Cb 0.65 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.23 1xrj h ARG 52 CO -0.95 0.17 -0.45 1.04 2.80 0.00 0.00 179.97 182.57 1xrj n GLN 53 N -3.58 0.41 -1.64 0.20 1.13 0.16 -4.96 117.38 109.10 1xrj n GLN 53 Ca -0.01 -0.26 -0.47 0.00 -1.94 0.00 0.00 57.00 54.31 1xrj n GLN 53 Cb 0.30 -1.49 -0.04 0.00 0.11 0.00 0.00 30.24 29.12 1xrj n GLN 53 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1xrj n LYS 54 N -1.07 1.78 0.05 -1.09 5.02 -0.76 -4.88 118.16 117.22 1xrj n LYS 54 Ca 0.08 0.64 0.11 0.00 -2.02 0.00 0.00 58.31 57.12 1xrj n LYS 54 Cb 0.35 -2.32 -0.08 0.00 -0.02 0.00 0.00 35.03 32.96 1xrj n LYS 54 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1xrj n GLN 55 N 2.68 0.63 -4.11 1.97 6.02 -1.26 -4.73 117.38 118.58 1xrj n GLN 55 Ca 0.16 -0.02 -0.27 0.00 -0.01 0.00 0.00 57.00 56.86 1xrj n GLN 55 Cb 0.27 -1.69 -0.17 0.00 1.02 0.00 0.00 30.24 29.67 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 -3.42 1.18 0.13 5.09 1.01 -1.26 -1.51 120.40 121.61 1xrj s VAL 56 Ca -0.04 -0.41 0.10 0.00 0.00 0.00 0.00 61.98 61.62 1xrj s VAL 56 Cb 0.11 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1xrj s VAL 56 CO 0.85 0.39 -0.23 0.68 0.00 0.00 0.00 175.10 176.78 1xrj s VAL 57 N 1.39 1.98 -0.16 2.92 -7.23 -0.86 -5.02 120.40 113.42 1xrj s VAL 57 Ca -0.00 -1.71 -0.03 0.00 -1.81 0.00 0.00 61.98 58.43 1xrj s VAL 57 Cb -0.13 -1.80 -0.02 0.00 0.56 0.00 0.00 36.38 34.98 1xrj s VAL 57 CO -0.06 -0.05 -0.06 -0.63 -0.31 0.00 0.00 175.10 174.00 1xrj s ILE 58 N -1.29 3.63 -0.11 -0.62 1.01 -1.26 -0.67 121.20 121.89 1xrj s ILE 58 Ca 0.12 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.34 1xrj s ILE 58 Cb -0.09 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.79 1xrj s ILE 58 CO 0.06 0.49 -0.20 -0.22 0.00 0.00 0.00 174.94 175.07 1xrj s LEU 59 N 0.47 2.35 -0.12 2.97 2.96 0.15 -4.96 118.68 122.50 1xrj s LEU 59 Ca -0.05 -0.46 -0.04 0.00 -0.22 0.00 0.00 54.13 53.36 1xrj s LEU 59 Cb -0.15 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 1xrj s LEU 59 CO 0.03 0.18 0.03 -0.55 -1.32 0.00 0.00 176.35 174.72 1xrj s SER 60 N 0.26 5.44 0.42 3.68 0.15 -1.26 -1.23 113.70 121.16 1xrj s SER 60 Ca -0.14 0.14 0.16 0.00 0.70 0.00 0.00 55.95 56.81 1xrj s SER 60 Cb -0.17 -1.72 0.91 0.00 -1.71 0.00 0.00 66.02 63.34 1xrj s SER 60 CO 0.07 0.30 1.91 -0.61 1.20 0.00 0.00 173.24 176.11 1xrj h GLN 61 N 5.74 0.00 0.00 5.44 4.15 -1.35 -2.29 115.11 126.81 1xrj h GLN 61 Ca -0.45 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 58.97 1xrj h GLN 61 Cb 1.19 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.88 1xrj h GLN 61 CO 0.60 0.28 -0.01 -0.44 -1.93 0.00 0.00 178.83 177.33 1xrj h ASP 62 N 0.00 0.00 0.60 -0.69 3.32 -1.95 0.66 116.42 118.36 1xrj h ASP 62 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xrj h ASP 62 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1xrj h ASP 62 CO 0.04 0.01 0.00 0.28 -1.72 0.00 0.00 179.24 177.85 1xrj h SER 63 N 0.00 0.00 -0.50 6.45 0.02 -1.72 -2.83 113.55 114.97 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 0.07 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.57 1xrj h SER 63 CO 0.00 0.00 0.06 0.49 -1.14 0.00 0.00 176.83 176.24 1xrj n PHE 64 N -2.55 1.75 -1.95 3.45 3.01 0.23 -4.36 117.46 117.03 1xrj n PHE 64 Ca 0.01 -0.93 -0.41 0.00 1.01 0.00 0.00 57.45 57.12 1xrj n PHE 64 Cb 0.20 -0.49 -0.01 0.00 -0.01 0.00 0.00 39.48 39.17 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 -2.87 2.80 0.81 1.38 1.51 -1.07 -1.29 117.35 118.61 1xrj s TYR 65 Ca 0.50 1.28 -0.11 0.00 -1.01 0.00 0.00 57.07 57.73 1xrj s TYR 65 Cb 0.40 -3.86 0.08 0.00 -0.11 0.00 0.00 41.96 38.47 1xrj s TYR 65 CO 0.12 -2.47 1.13 1.03 -1.11 0.00 0.00 175.55 174.25 1xrj s ARG 66 N -1.97 1.83 0.04 -0.62 0.52 -0.50 -4.77 118.95 113.48 1xrj s ARG 66 Ca 0.51 1.43 -0.30 0.00 -0.52 0.00 0.00 55.73 56.85 1xrj s ARG 66 Cb -0.43 -1.83 -0.05 0.00 0.52 0.00 0.00 34.95 33.16 1xrj s ARG 66 CO 0.58 -2.01 1.15 0.08 0.02 0.00 0.00 175.30 175.13 1xrj s VAL 67 N -2.61 4.21 0.37 3.52 1.01 -1.26 -4.96 120.40 120.69 1xrj s VAL 67 Ca 0.66 1.59 -0.21 0.00 0.00 0.00 0.00 61.98 64.02 1xrj s VAL 67 Cb -0.21 -4.02 -0.10 0.00 0.00 0.00 0.00 36.38 32.05 1xrj s VAL 67 CO 0.54 0.12 0.89 -0.76 0.00 0.00 0.00 175.10 175.88 1xrj s LEU 68 N 1.10 4.08 0.67 3.92 1.43 -1.26 -5.07 118.68 123.56 1xrj s LEU 68 Ca 0.57 1.63 -0.06 0.00 -1.03 0.00 0.00 54.13 55.24 1xrj s LEU 68 Cb -0.27 -4.27 0.05 0.00 0.03 0.00 0.00 46.19 41.73 1xrj s LEU 68 CO 0.29 -0.24 0.97 0.42 0.23 0.00 0.00 176.35 178.02 1xrj s THR 69 N -1.97 2.50 0.15 5.49 -4.23 -1.26 -4.80 115.64 111.52 1xrj s THR 69 Ca 0.56 -0.28 -0.24 0.00 -1.18 0.00 0.00 61.69 60.55 1xrj s THR 69 Cb -0.12 -3.06 0.02 0.00 1.34 0.00 0.00 72.50 70.68 1xrj s THR 69 CO 0.17 -0.06 1.60 0.28 -0.54 0.00 0.00 174.62 176.07 1xrj h SER 70 N -0.47 -1.04 -0.76 3.99 0.02 -1.99 0.73 113.55 114.02 1xrj h SER 70 Ca -0.44 0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1xrj h SER 70 Cb 1.31 0.47 -0.04 0.00 0.14 0.00 0.00 62.40 64.28 1xrj h SER 70 CO 0.59 -0.34 0.46 1.05 -1.14 0.00 0.00 176.83 177.46 1xrj h GLU 71 N -0.32 1.02 -0.35 3.45 4.11 -1.99 -1.64 114.58 118.85 1xrj h GLU 71 Ca 0.13 -0.09 -0.01 0.00 0.07 0.00 0.00 59.36 59.46 1xrj h GLU 71 Cb 0.54 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1xrj h GLU 71 CO -0.45 0.72 0.17 1.96 0.07 0.00 0.00 179.01 181.48 1xrj h GLN 72 N 1.03 0.51 -0.65 1.06 4.20 -1.76 -2.03 115.11 117.48 1xrj h GLN 72 Ca 0.27 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.87 1xrj h GLN 72 Cb -0.05 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 1xrj h GLN 72 CO -0.05 0.47 0.26 -0.22 -0.67 0.00 0.00 178.83 178.62 1xrj h LYS 73 N 0.43 0.95 -0.50 1.46 3.64 -0.63 0.80 116.57 122.73 1xrj h LYS 73 Ca 0.12 -0.15 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1xrj h LYS 73 Cb 0.13 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1xrj h LYS 73 CO -0.01 0.78 0.30 0.00 -2.27 0.00 0.00 179.45 178.24 1xrj h ALA 74 N 1.35 0.64 -0.34 5.00 0.00 -0.94 -0.76 119.26 124.22 1xrj h ALA 74 Ca 0.22 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1xrj h ALA 74 Cb 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1xrj h ALA 74 CO -0.02 0.00 -0.11 0.87 0.00 0.00 0.00 179.25 179.99 1xrj h LYS 75 N 0.60 0.67 -0.68 0.00 1.57 -0.80 -3.05 116.57 114.88 1xrj h LYS 75 Ca 0.20 -0.27 0.11 0.00 -1.87 0.00 0.00 60.65 58.82 1xrj h LYS 75 Cb 0.01 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.21 1xrj h LYS 75 CO -0.09 0.85 0.27 0.00 -0.57 0.00 0.00 179.45 179.91 1xrj h ALA 76 N 0.80 0.91 -0.02 3.86 0.00 -0.38 0.31 119.26 124.74 1xrj h ALA 76 Ca 0.08 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1xrj h ALA 76 Cb 0.63 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1xrj h ALA 76 CO 0.04 -0.19 0.02 -0.07 0.00 0.00 0.00 179.25 179.06 1xrj h LEU 77 N 0.44 0.00 -1.33 0.00 3.38 -1.05 0.23 115.31 116.98 1xrj h LEU 77 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1xrj h LEU 77 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1xrj h LEU 77 CO -0.35 0.00 -0.13 0.29 0.09 0.00 0.00 178.44 178.34 1xrj n LYS 78 N -3.82 1.76 -2.54 1.13 5.02 0.81 -4.93 118.16 115.59 1xrj n LYS 78 Ca -0.03 -1.33 -0.11 0.00 -2.02 0.00 0.00 58.31 54.83 1xrj n LYS 78 Cb 0.11 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 33.66 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 1.32 0.04 0.27 0.72 0.00 0.81 -4.93 105.19 103.43 1xrj n GLY 79 Ca 0.14 -0.35 0.09 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 -2.30 1.84 -4.63 1.61 6.02 0.33 -4.38 117.38 115.87 1xrj n GLN 80 Ca -0.07 -2.55 -0.32 0.00 -0.01 0.00 0.00 57.00 54.04 1xrj n GLN 80 Cb 0.57 -1.54 -0.12 0.00 1.02 0.00 0.00 30.24 30.17 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 -2.68 2.78 -0.75 1.08 5.36 -1.25 -4.76 117.98 117.75 1xrj s PHE 81 Ca 0.32 -0.10 -0.20 0.00 -0.96 0.00 0.00 56.93 55.98 1xrj s PHE 81 Cb 0.27 -1.60 0.10 0.00 -0.34 0.00 0.00 43.02 41.45 1xrj s PHE 81 CO 0.04 0.30 0.98 1.21 -1.46 0.00 0.00 175.22 176.29 1xrj s ASN 82 N -1.17 6.36 0.00 6.13 3.84 -1.26 -4.82 114.94 124.02 1xrj s ASN 82 Ca 0.15 -1.50 0.27 0.00 0.21 0.00 0.00 52.86 51.98 1xrj s ASN 82 Cb -0.11 -2.39 1.19 0.00 -0.55 0.00 0.00 41.25 39.39 1xrj s ASN 82 CO 0.04 -1.23 1.81 0.49 -2.79 0.00 0.00 177.10 175.43 1xrj n PHE 83 N 6.96 0.04 0.78 0.43 3.01 -1.26 -3.78 117.46 123.64 1xrj n PHE 83 Ca 0.06 -0.02 0.09 0.00 1.01 0.00 0.00 57.45 58.59 1xrj n PHE 83 Cb 0.46 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 40.01 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 -0.14 2.58 -4.82 4.37 8.00 -1.26 -4.85 116.55 120.44 1xrj n ASP 84 Ca 0.19 -1.79 -0.37 0.00 0.71 0.00 0.00 54.79 53.53 1xrj n ASP 84 Cb 0.27 -0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.31 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 -1.57 3.74 0.46 1.24 2.46 -1.25 -4.82 115.29 115.56 1xrj s HIS 85 Ca 0.22 1.27 0.29 0.00 0.47 0.00 0.00 55.06 57.31 1xrj s HIS 85 Cb 0.16 -2.51 1.35 0.00 -0.13 0.00 0.00 32.58 31.45 1xrj s HIS 85 CO 0.24 0.51 1.74 -1.35 -2.47 0.00 0.00 174.74 173.41 1xrj h PRO 86 N 4.12 0.17 0.00 2.88 0.11 -1.93 0.19 132.00 137.54 1xrj h PRO 86 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1xrj h PRO 86 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1xrj h PRO 86 CO 0.64 0.12 0.00 -0.44 -0.21 0.00 0.00 178.00 178.11 1xrj h ASP 87 N 0.18 0.00 0.56 -2.05 3.32 -1.94 -2.81 116.42 113.69 1xrj h ASP 87 Ca 0.65 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.68 1xrj h ASP 87 Cb 2.09 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.64 1xrj h ASP 87 CO -0.21 0.00 -0.10 0.00 -1.72 0.00 0.00 179.24 177.21 1xrj h ALA 88 N 2.06 1.14 -2.90 3.45 0.00 -0.89 -3.43 119.26 118.69 1xrj h ALA 88 Ca 0.00 -0.09 -0.64 0.00 0.00 0.00 0.00 54.91 54.18 1xrj h ALA 88 Cb 0.35 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1xrj h ALA 88 CO 0.00 0.12 -0.52 -0.06 0.00 0.00 0.00 179.25 178.80 1xrj s PHE 89 N -3.98 3.48 -1.09 0.00 0.40 -1.06 -1.41 117.98 114.32 1xrj s PHE 89 Ca -0.02 0.30 -0.19 0.00 -0.60 0.00 0.00 56.93 56.42 1xrj s PHE 89 Cb 0.12 -1.79 0.09 0.00 0.51 0.00 0.00 43.02 41.95 1xrj s PHE 89 CO 0.56 0.61 1.43 0.34 0.70 0.00 0.00 175.22 178.87 1xrj s ASP 90 N -2.01 6.70 0.40 1.36 -1.08 -0.41 -4.79 116.67 116.85 1xrj s ASP 90 Ca 0.28 -2.08 0.07 0.00 -0.52 0.00 0.00 52.55 50.29 1xrj s ASP 90 Cb -0.13 -2.50 0.84 0.00 -1.46 0.00 0.00 42.92 39.67 1xrj s ASP 90 CO 0.19 -1.19 2.04 -1.13 0.52 0.00 0.00 175.17 175.60 1xrj h ASN 91 N 8.61 0.46 -0.11 -0.34 -0.00 -1.87 -1.98 115.58 120.35 1xrj h ASN 91 Ca 0.27 -0.02 -0.00 0.00 -0.00 0.00 0.00 56.30 56.54 1xrj h ASN 91 Cb 0.96 -0.12 -0.01 0.00 -0.00 0.00 0.00 38.32 39.16 1xrj h ASN 91 CO 1.33 0.36 0.05 -0.33 -0.00 0.00 0.00 177.43 178.84 1xrj h GLU 92 N 0.54 0.16 -0.79 6.67 3.07 -1.99 -1.49 114.58 120.74 1xrj h GLU 92 Ca 0.14 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.95 1xrj h GLU 92 Cb -0.02 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 27.83 1xrj h GLU 92 CO -0.03 0.22 0.37 1.25 -1.40 0.00 0.00 179.01 179.43 1xrj h LEU 93 N 0.05 1.04 0.10 1.33 5.85 -1.88 -0.55 115.31 121.26 1xrj h LEU 93 Ca 0.04 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1xrj h LEU 93 Cb 0.12 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 1xrj h LEU 93 CO -0.00 0.89 -0.07 0.40 -0.34 0.00 0.00 178.44 179.32 1xrj h ILE 94 N 1.12 0.85 -0.47 4.05 2.04 -1.17 0.78 117.51 124.72 1xrj h ILE 94 Ca 0.27 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.12 1xrj h ILE 94 Cb 0.13 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1xrj h ILE 94 CO -0.03 0.00 0.24 0.25 0.00 0.00 0.00 178.15 178.61 1xrj h LEU 95 N -0.17 0.59 -0.43 1.44 5.85 -1.08 -0.54 115.31 120.97 1xrj h LEU 95 Ca -0.01 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1xrj h LEU 95 Cb 0.15 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1xrj h LEU 95 CO 0.00 0.53 0.25 0.50 -0.34 0.00 0.00 178.44 179.38 1xrj h LYS 96 N 0.61 0.59 -0.36 1.25 3.64 -0.93 -1.10 116.57 120.27 1xrj h LYS 96 Ca 0.16 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1xrj h LYS 96 Cb 0.08 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1xrj h LYS 96 CO -0.02 0.45 0.08 1.15 -2.27 0.00 0.00 179.45 178.84 1xrj h THR 97 N 0.56 1.23 -0.57 1.00 2.02 -0.63 -2.20 112.91 114.33 1xrj h THR 97 Ca 0.15 -0.77 -0.08 0.00 0.77 0.00 0.00 66.41 66.48 1xrj h THR 97 Cb 0.02 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1xrj h THR 97 CO -0.03 0.26 0.05 -0.07 0.37 0.00 0.00 175.52 176.10 1xrj h LEU 98 N 0.43 0.90 -0.46 2.58 3.38 -1.00 -1.79 115.31 119.36 1xrj h LEU 98 Ca 0.11 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1xrj h LEU 98 Cb 0.31 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1xrj h LEU 98 CO 0.00 0.94 0.19 0.11 0.09 0.00 0.00 178.44 179.77 1xrj h LYS 99 N 0.88 0.69 -0.43 1.13 1.57 -1.07 -0.29 116.57 119.05 1xrj h LYS 99 Ca 0.17 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1xrj h LYS 99 Cb 0.45 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1xrj h LYS 99 CO 0.02 0.62 0.08 0.93 -0.57 0.00 0.00 179.45 180.52 1xrj h GLU 100 N 0.60 0.65 -0.58 3.15 5.08 -1.19 -1.40 114.58 120.90 1xrj h GLU 100 Ca 0.15 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 1xrj h GLU 100 Cb 0.18 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1xrj h GLU 100 CO -0.01 0.62 -0.01 0.82 -1.00 0.00 0.00 179.01 179.42 1xrj h ILE 101 N 0.63 1.27 0.00 3.13 2.04 -0.89 -1.49 117.51 122.20 1xrj h ILE 101 Ca 0.14 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 64.83 1xrj h ILE 101 Cb 0.28 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1xrj h ILE 101 CO 0.00 0.41 -0.10 0.71 0.00 0.00 0.00 178.15 179.17 1xrj h THR 102 N 0.91 0.37 -0.00 -0.27 1.35 -0.47 -1.10 112.91 113.71 1xrj h THR 102 Ca 0.16 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1xrj h THR 102 Cb 0.57 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1xrj h THR 102 CO 0.03 0.10 -0.03 -0.62 -0.25 0.00 0.00 175.52 174.76 1xrj n GLU 103 N -3.40 1.06 -1.02 4.72 1.02 -0.58 -4.50 120.64 117.94 1xrj n GLU 103 Ca -0.01 -0.30 -0.01 0.00 -0.02 0.00 0.00 57.16 56.83 1xrj n GLU 103 Cb 0.28 -1.49 -0.00 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 1.13 0.44 3.91 0.62 0.00 -0.41 -5.04 105.19 105.83 1xrj n GLY 104 Ca 0.20 -1.03 -0.28 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.00 3.60 0.02 1.61 1.02 -0.65 -4.77 119.74 118.57 1xrj s LYS 105 Ca 0.00 -0.11 -0.24 0.00 0.02 0.00 0.00 55.97 55.65 1xrj s LYS 105 Cb 0.00 -2.71 -0.05 0.00 -0.52 0.00 0.00 37.83 34.55 1xrj s LYS 105 CO 0.00 0.28 0.72 0.99 -0.92 0.00 0.00 175.35 176.42 1xrj s THR 106 N -2.01 4.81 0.20 2.17 2.01 -1.26 -4.47 115.64 117.10 1xrj s THR 106 Ca 0.42 1.52 0.04 0.00 0.31 0.00 0.00 61.69 63.98 1xrj s THR 106 Cb -0.11 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.29 1xrj s THR 106 CO 0.29 0.36 -0.04 0.68 -0.69 0.00 0.00 174.62 175.22 1xrj s VAL 107 N 0.03 1.10 -0.13 3.82 -7.23 -0.91 -4.98 120.40 112.10 1xrj s VAL 107 Ca 0.37 -2.05 -0.01 0.00 -1.81 0.00 0.00 61.98 58.48 1xrj s VAL 107 Cb -0.20 -2.17 -0.02 0.00 0.56 0.00 0.00 36.38 34.55 1xrj s VAL 107 CO 0.21 -0.47 -0.10 -1.10 -0.31 0.00 0.00 175.10 173.33 1xrj s GLN 108 N -3.82 3.44 0.10 4.82 -1.52 -1.26 -0.23 119.66 121.19 1xrj s GLN 108 Ca 0.24 -0.63 0.09 0.00 -1.95 0.00 0.00 55.36 53.12 1xrj s GLN 108 Cb 0.04 -2.71 -0.04 0.00 -0.22 0.00 0.00 33.01 30.08 1xrj s GLN 108 CO 0.06 0.25 -0.21 0.96 -0.25 0.00 0.00 175.29 176.10 1xrj s ILE 109 N 0.28 2.64 0.92 1.08 -4.36 0.20 -4.90 121.20 117.07 1xrj s ILE 109 Ca -0.07 -1.49 -0.11 0.00 -0.26 0.00 0.00 60.65 58.72 1xrj s ILE 109 Cb -0.15 -2.17 0.14 0.00 1.25 0.00 0.00 42.46 41.53 1xrj s ILE 109 CO 0.05 0.17 1.10 -2.84 0.24 0.00 0.00 174.94 173.65 1xrj s PRO 110 N -1.90 1.05 -0.19 0.37 0.02 -1.26 -0.60 135.00 132.49 1xrj s PRO 110 Ca 0.16 1.15 0.01 0.00 0.02 0.00 0.00 61.00 62.34 1xrj s PRO 110 Cb -0.10 -1.76 0.03 0.00 0.02 0.00 0.00 34.50 32.68 1xrj s PRO 110 CO 0.07 -2.48 -0.18 0.08 -0.33 0.00 0.00 177.00 174.17 1xrj s VAL 111 N -2.76 2.03 -0.11 3.83 1.01 -1.25 -4.70 120.40 118.44 1xrj s VAL 111 Ca 0.65 -1.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.52 1xrj s VAL 111 Cb -0.20 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1xrj s VAL 111 CO 0.58 0.43 0.16 -0.47 0.00 0.00 0.00 175.10 175.81 1xrj s TYR 112 N 1.28 3.60 -0.32 5.22 5.04 -1.26 -1.06 117.35 129.84 1xrj s TYR 112 Ca 0.03 0.56 -0.04 0.00 -2.44 0.00 0.00 57.07 55.17 1xrj s TYR 112 Cb -0.14 -1.98 0.05 0.00 0.35 0.00 0.00 41.96 40.24 1xrj s TYR 112 CO -0.11 0.71 0.06 0.34 -1.34 0.00 0.00 175.55 175.20 1xrj s ASP 113 N -0.97 5.11 0.38 4.32 -1.08 0.11 -4.96 116.67 119.57 1xrj s ASP 113 Ca 0.15 -1.23 0.16 0.00 -0.52 0.00 0.00 52.55 51.12 1xrj s ASP 113 Cb -0.12 -1.79 0.74 0.00 -1.46 0.00 0.00 42.92 40.29 1xrj s ASP 113 CO 0.04 -0.30 1.79 -0.26 0.52 0.00 0.00 175.17 176.97 1xrj h PHE 114 N 8.11 0.00 -0.54 -5.34 -1.00 -1.93 -0.94 116.94 115.30 1xrj h PHE 114 Ca -0.22 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.55 1xrj h PHE 114 Cb 1.07 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.61 1xrj h PHE 114 CO 0.60 0.38 0.28 0.28 -1.61 0.00 0.00 178.31 178.24 1xrj h VAL 115 N 0.00 1.19 -0.38 -0.55 2.07 -1.87 -3.15 116.25 113.56 1xrj h VAL 115 Ca -0.00 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1xrj h VAL 115 Cb 0.77 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1xrj h VAL 115 CO 0.05 0.21 0.00 -1.54 0.02 0.00 0.00 177.57 176.31 1xrj n SER 116 N -4.60 3.10 -3.81 0.57 3.41 -1.19 -4.94 113.62 106.15 1xrj n SER 116 Ca 0.03 -1.91 -0.26 0.00 -0.26 0.00 0.00 58.87 56.46 1xrj n SER 116 Cb 0.10 -0.25 0.03 0.00 -0.26 0.00 0.00 64.21 63.83 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 1.00 -2.16 -3.83 7.33 -0.00 -0.41 -4.96 115.22 112.19 1xrj n HIS 117 Ca 0.15 0.88 -0.09 0.00 -0.00 0.00 0.00 57.72 58.67 1xrj n HIS 117 Cb 0.49 -4.19 -0.03 0.00 -0.00 0.00 0.00 29.99 26.25 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 -3.76 -0.24 0.63 0.41 1.04 -0.87 -4.70 113.70 106.20 1xrj s SER 118 Ca 0.38 -0.61 -0.07 0.00 0.48 0.00 0.00 55.95 56.13 1xrj s SER 118 Cb -0.19 0.65 0.01 0.00 0.10 0.00 0.00 66.02 66.59 1xrj s SER 118 CO 0.82 -1.20 0.96 -0.13 0.98 0.00 0.00 173.24 174.67 1xrj s ARG 119 N -3.92 2.85 0.21 4.02 0.52 -1.26 0.05 118.95 121.42 1xrj s ARG 119 Ca 0.12 0.09 0.07 0.00 -0.52 0.00 0.00 55.73 55.50 1xrj s ARG 119 Cb -0.03 -2.20 -0.04 0.00 0.52 0.00 0.00 34.95 33.20 1xrj s ARG 119 CO 0.03 -0.83 0.11 0.15 0.02 0.00 0.00 175.30 174.79 1xrj s LYS 120 N -5.10 2.72 0.17 3.54 1.02 -0.23 -4.84 119.74 117.02 1xrj s LYS 120 Ca 0.55 -1.07 0.23 0.00 0.02 0.00 0.00 55.97 55.71 1xrj s LYS 120 Cb -0.11 -2.49 0.90 0.00 -0.52 0.00 0.00 37.83 35.62 1xrj s LYS 120 CO 0.47 0.43 1.70 0.39 -0.92 0.00 0.00 175.35 177.42 1xrj n GLU 121 N -0.69 0.15 -3.20 1.68 -0.58 -1.26 -4.59 120.64 112.14 1xrj n GLU 121 Ca -0.08 0.29 -0.39 0.00 -0.42 0.00 0.00 57.16 56.56 1xrj n GLU 121 Cb 0.57 -1.74 -0.06 0.00 -0.57 0.00 0.00 31.44 29.63 1xrj n GLU 121 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1xrj s GLU 122 N -3.17 4.29 0.33 3.49 -1.05 -1.26 -5.08 118.70 116.26 1xrj s GLU 122 Ca 0.07 0.84 0.10 0.00 -0.15 0.00 0.00 54.97 55.83 1xrj s GLU 122 Cb 0.11 -3.25 -0.06 0.00 -0.44 0.00 0.00 34.13 30.49 1xrj s GLU 122 CO 0.43 0.62 -0.07 0.95 0.95 0.00 0.00 175.26 178.13 1xrj s THR 123 N -1.09 2.42 -0.15 1.83 -4.23 -1.26 -3.93 115.64 109.23 1xrj s THR 123 Ca 0.31 -2.15 -0.05 0.00 -1.18 0.00 0.00 61.69 58.62 1xrj s THR 123 Cb -0.20 -2.66 -0.03 0.00 1.34 0.00 0.00 72.50 70.95 1xrj s THR 123 CO 0.21 -0.23 0.01 -0.69 -0.54 0.00 0.00 174.62 173.38 1xrj s VAL 124 N -2.56 4.36 -0.16 2.29 1.01 0.23 -4.89 120.40 120.69 1xrj s VAL 124 Ca 0.33 -0.20 -0.25 0.00 0.00 0.00 0.00 61.98 61.86 1xrj s VAL 124 Cb 0.01 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 1xrj s VAL 124 CO 0.17 0.51 0.84 -0.89 0.00 0.00 0.00 175.10 175.73 1xrj s THR 125 N 0.03 4.88 -0.39 3.92 2.01 -1.26 -0.62 115.64 124.21 1xrj s THR 125 Ca 0.03 1.65 -0.05 0.00 0.31 0.00 0.00 61.69 63.63 1xrj s THR 125 Cb -0.13 -4.14 0.08 0.00 0.01 0.00 0.00 72.50 68.32 1xrj s THR 125 CO 0.02 0.04 0.18 -0.69 -0.69 0.00 0.00 174.62 173.47 1xrj s VAL 126 N 2.08 3.60 0.58 3.82 1.01 0.68 -5.00 120.40 127.18 1xrj s VAL 126 Ca 0.39 -1.63 -0.11 0.00 0.00 0.00 0.00 61.98 60.63 1xrj s VAL 126 Cb -0.17 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 1xrj s VAL 126 CO 0.13 -0.48 0.98 -0.31 0.00 0.00 0.00 175.10 175.43 1xrj s TYR 127 N 1.28 3.59 0.07 5.22 1.51 -1.26 -2.14 117.35 125.63 1xrj s TYR 127 Ca 0.03 1.24 -0.33 0.00 -1.01 0.00 0.00 57.07 57.00 1xrj s TYR 127 Cb -0.22 -2.66 -0.12 0.00 -0.11 0.00 0.00 41.96 38.85 1xrj s TYR 127 CO -0.01 -0.58 1.78 -2.30 -1.11 0.00 0.00 175.55 173.33 1xrj n PRO 128 N -2.50 2.41 -4.44 -1.71 -0.02 -1.26 -4.98 135.00 122.51 1xrj n PRO 128 Ca 0.05 0.88 -0.22 0.00 -2.02 0.00 0.00 63.50 62.19 1xrj n PRO 128 Cb 0.54 -2.72 -0.10 0.00 -0.02 0.00 0.00 33.50 31.20 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 2.64 2.48 0.11 3.55 0.00 -1.26 -4.97 121.76 124.30 1xrj s ALA 129 Ca 0.84 -1.87 -0.05 0.00 0.00 0.00 0.00 51.96 50.89 1xrj s ALA 129 Cb -0.61 -0.05 -0.15 0.00 0.00 0.00 0.00 23.12 22.32 1xrj s ALA 129 CO 0.42 0.09 1.26 -0.44 0.00 0.00 0.00 175.76 177.08 1xrj h ASP 130 N 2.30 0.53 -3.64 0.00 3.32 -1.58 -3.43 116.42 113.92 1xrj h ASP 130 Ca -0.40 -0.45 -0.45 0.00 0.02 0.00 0.00 57.03 55.75 1xrj h ASP 130 Cb 1.24 -0.16 -0.32 0.00 0.22 0.00 0.00 39.33 40.31 1xrj h ASP 130 CO 0.64 1.27 -0.79 -0.69 -1.72 0.00 0.00 179.24 177.96 1xrj s VAL 131 N -3.11 0.82 -0.11 -1.35 1.01 -0.57 -0.92 120.40 116.17 1xrj s VAL 131 Ca -0.06 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.61 1xrj s VAL 131 Cb 0.08 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.71 1xrj s VAL 131 CO 0.87 0.27 -0.21 -0.69 0.00 0.00 0.00 175.10 175.35 1xrj s VAL 132 N 0.47 1.87 -0.30 2.92 1.01 -0.49 -2.02 120.40 123.85 1xrj s VAL 132 Ca -0.08 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 60.92 1xrj s VAL 132 Cb -0.12 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 1xrj s VAL 132 CO 0.01 0.51 0.14 -0.76 0.00 0.00 0.00 175.10 175.01 1xrj s LEU 133 N 0.64 4.01 -0.27 3.92 1.43 0.15 -0.27 118.68 128.30 1xrj s LEU 133 Ca -0.13 -0.49 -0.05 0.00 -1.03 0.00 0.00 54.13 52.44 1xrj s LEU 133 Cb -0.16 -1.99 0.01 0.00 0.03 0.00 0.00 46.19 44.07 1xrj s LEU 133 CO 0.03 -0.17 0.02 0.12 0.23 0.00 0.00 176.35 176.58 1xrj s PHE 134 N 1.61 3.09 0.03 0.29 5.36 -0.22 0.32 117.98 128.45 1xrj s PHE 134 Ca 0.05 -1.04 0.08 0.00 -0.96 0.00 0.00 56.93 55.05 1xrj s PHE 134 Cb -0.17 -2.18 -0.02 0.00 -0.34 0.00 0.00 43.02 40.31 1xrj s PHE 134 CO 0.06 -0.58 -0.22 -1.83 -1.46 0.00 0.00 175.22 171.18 1xrj s GLU 135 N 1.47 1.58 0.00 10.12 4.04 -0.36 -0.45 118.70 135.09 1xrj s GLU 135 Ca 0.03 -0.94 0.00 0.00 0.04 0.00 0.00 54.97 54.10 1xrj s GLU 135 Cb -0.16 -1.67 0.00 0.00 0.02 0.00 0.00 34.13 32.32 1xrj s GLU 135 CO -0.00 0.44 0.00 0.41 -1.84 0.00 0.00 175.26 174.26 1xrj n GLY 136 N 2.00 1.01 0.32 -3.83 0.00 -0.59 -0.79 105.19 103.32 1xrj n GLY 136 Ca -0.17 -0.48 0.18 0.00 0.00 0.00 0.00 46.02 45.55 1xrj n GLY 136 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1xrj h ILE 137 N 0.27 0.35 -0.28 -0.61 3.07 -1.86 -2.72 117.51 115.72 1xrj h ILE 137 Ca 0.00 0.00 -0.23 0.00 1.55 0.00 0.00 64.86 66.18 1xrj h ILE 137 Cb 0.00 0.93 -0.28 0.00 -0.27 0.00 0.00 36.82 37.19 1xrj h ILE 137 CO 0.00 0.00 -0.84 0.18 -1.05 0.00 0.00 178.15 176.44 1xrj n LEU 138 N -3.59 2.64 0.28 0.16 4.77 -1.26 -4.50 117.00 115.50 1xrj n LEU 138 Ca -0.02 -3.49 0.14 0.00 -0.03 0.00 0.00 56.01 52.62 1xrj n LEU 138 Cb 0.17 -0.15 0.82 0.00 -2.33 0.00 0.00 43.42 41.93 1xrj n LEU 138 CO 0.25 1.29 1.04 0.00 -1.33 0.00 0.00 177.39 178.64 1xrj h ALA 139 N 1.63 1.36 -0.29 -1.18 0.00 -1.77 -2.40 119.26 116.61 1xrj h ALA 139 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xrj h ALA 139 Cb 1.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1xrj h ALA 139 CO 0.25 0.08 0.00 1.19 0.00 0.00 0.00 179.25 180.78 1xrj n PHE 140 N -3.69 0.37 -0.06 0.00 0.99 -1.26 -4.46 117.46 109.35 1xrj n PHE 140 Ca -0.02 -0.23 -0.11 0.00 -0.00 0.00 0.00 57.45 57.09 1xrj n PHE 140 Cb 0.17 -0.00 -0.04 0.00 -1.00 0.00 0.00 39.48 38.60 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 3.68 0.32 -3.36 1.38 3.20 -1.77 -3.43 116.97 116.99 1xrj h TYR 141 Ca 0.00 -0.03 -0.56 0.00 3.14 0.00 0.00 58.73 61.28 1xrj h TYR 141 Cb 0.85 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.98 1xrj h TYR 141 CO 0.18 0.38 0.21 0.45 -1.64 0.00 0.00 178.16 177.75 1xrj s SER 142 N -5.64 7.07 0.18 -2.11 0.15 -1.26 -4.97 113.70 107.12 1xrj s SER 142 Ca -0.14 1.30 -0.10 0.00 0.70 0.00 0.00 55.95 57.71 1xrj s SER 142 Cb 0.07 -2.46 0.08 0.00 -1.71 0.00 0.00 66.02 62.00 1xrj s SER 142 CO 0.71 -0.21 1.69 -0.61 1.20 0.00 0.00 173.24 176.02 1xrj h GLN 143 N 6.88 1.01 -0.79 5.44 4.15 -1.96 -0.22 115.11 129.61 1xrj h GLN 143 Ca -0.39 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 58.78 1xrj h GLN 143 Cb 1.19 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.71 1xrj h GLN 143 CO 0.77 0.92 0.47 0.93 -1.93 0.00 0.00 178.83 179.98 1xrj h GLU 144 N 0.93 1.08 -0.08 1.69 5.08 -1.98 -0.99 114.58 120.32 1xrj h GLU 144 Ca 0.20 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1xrj h GLU 144 Cb 0.37 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1xrj h GLU 144 CO 0.00 0.77 -0.21 0.28 -1.00 0.00 0.00 179.01 178.85 1xrj h VAL 145 N 1.10 1.41 -1.00 3.13 2.07 -1.87 -3.21 116.25 117.88 1xrj h VAL 145 Ca 0.28 -1.55 0.15 0.00 0.82 0.00 0.00 66.70 66.40 1xrj h VAL 145 Cb -0.02 2.22 -0.09 0.00 -1.52 0.00 0.00 31.29 31.87 1xrj h VAL 145 CO -0.05 0.44 0.62 -0.09 0.02 0.00 0.00 177.57 178.51 1xrj h ARG 146 N -0.20 0.87 0.00 1.57 2.43 -0.74 0.25 114.38 118.56 1xrj h ARG 146 Ca -0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1xrj h ARG 146 Cb 0.82 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1xrj h ARG 146 CO 0.05 0.58 0.00 -0.25 -1.51 0.00 0.00 179.97 178.83 1xrj n ASP 147 N -4.67 0.00 0.03 -3.80 8.00 -0.40 -2.18 116.55 113.53 1xrj n ASP 147 Ca 0.21 0.17 0.12 0.00 0.71 0.00 0.00 54.79 56.00 1xrj n ASP 147 Cb 0.45 -0.35 0.22 0.00 -0.02 0.00 0.00 41.12 41.41 1xrj n ASP 147 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1xrj n LEU 148 N -1.35 0.57 -4.67 0.64 4.77 0.07 -4.84 117.00 112.19 1xrj n LEU 148 Ca 0.07 0.12 -0.39 0.00 -0.03 0.00 0.00 56.01 55.78 1xrj n LEU 148 Cb 0.17 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 40.98 1xrj n LEU 148 CO 0.15 0.03 0.31 -0.36 -1.33 0.00 0.00 177.39 176.19 1xrj s PHE 149 N -3.09 3.40 -0.66 -1.77 2.99 -0.93 -4.60 117.98 113.34 1xrj s PHE 149 Ca 0.09 0.90 0.25 0.00 0.00 0.00 0.00 56.93 58.16 1xrj s PHE 149 Cb 0.16 -2.73 0.66 0.00 0.00 0.00 0.00 43.02 41.10 1xrj s PHE 149 CO 0.71 -0.09 1.68 1.96 -0.00 0.00 0.00 175.22 179.48 1xrj h GLN 150 N 7.33 0.00 -2.92 0.44 7.50 -1.38 -3.45 115.11 122.65 1xrj h GLN 150 Ca -0.34 0.00 -0.15 0.00 0.50 0.00 0.00 58.65 58.66 1xrj h GLN 150 Cb 1.15 0.00 -0.26 0.00 0.05 0.00 0.00 27.48 28.42 1xrj h GLN 150 CO 0.76 0.00 -0.36 1.41 -1.50 0.00 0.00 178.83 179.14 1xrj s MET 151 N -3.13 0.35 -0.16 1.46 0.00 -1.20 -5.06 119.30 111.55 1xrj s MET 151 Ca 0.09 0.52 0.01 0.00 0.00 0.00 0.00 55.69 56.31 1xrj s MET 151 Cb 0.11 0.09 0.02 0.00 0.00 0.00 0.00 34.83 35.05 1xrj s MET 151 CO 0.63 -0.09 -0.17 0.15 0.00 0.00 0.00 175.02 175.54 1xrj s LYS 152 N 0.58 2.64 -0.04 4.11 1.02 -1.26 -0.58 119.74 126.22 1xrj s LYS 152 Ca -0.03 -0.70 0.03 0.00 0.02 0.00 0.00 55.97 55.29 1xrj s LYS 152 Cb -0.05 -2.33 -0.03 0.00 -0.52 0.00 0.00 37.83 34.91 1xrj s LYS 152 CO -0.03 -0.21 -0.13 -0.51 -0.92 0.00 0.00 175.35 173.55 1xrj s LEU 153 N 1.35 2.84 -0.12 3.17 1.43 0.40 0.12 118.68 127.87 1xrj s LEU 153 Ca 0.04 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1xrj s LEU 153 Cb -0.13 -1.60 0.02 0.00 0.03 0.00 0.00 46.19 44.51 1xrj s LEU 153 CO -0.11 0.33 -0.13 0.12 0.23 0.00 0.00 176.35 176.79 1xrj s PHE 154 N -0.79 1.87 -0.43 0.29 5.36 -0.80 -1.04 117.98 122.44 1xrj s PHE 154 Ca 0.12 -0.93 -0.21 0.00 -0.96 0.00 0.00 56.93 54.95 1xrj s PHE 154 Cb -0.11 -1.40 0.02 0.00 -0.34 0.00 0.00 43.02 41.20 1xrj s PHE 154 CO 0.02 -0.52 0.67 0.08 -1.46 0.00 0.00 175.22 174.01 1xrj s VAL 155 N 1.25 4.79 -0.35 3.12 1.01 -0.07 -0.45 120.40 129.71 1xrj s VAL 155 Ca -0.02 0.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 1xrj s VAL 155 Cb -0.14 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.02 1xrj s VAL 155 CO -0.05 -0.60 0.21 -0.62 0.00 0.00 0.00 175.10 174.05 1xrj s ASP 156 N 2.01 5.83 -0.03 3.32 2.15 -0.09 -4.28 116.67 125.58 1xrj s ASP 156 Ca 0.24 -0.66 0.01 0.00 0.43 0.00 0.00 52.55 52.57 1xrj s ASP 156 Cb -0.14 -2.07 0.01 0.00 -0.30 0.00 0.00 42.92 40.42 1xrj s ASP 156 CO 0.19 -0.29 -0.05 -0.89 -0.17 0.00 0.00 175.17 173.96 1xrj s THR 157 N 1.64 0.48 0.28 1.71 2.01 -1.26 -1.52 115.64 118.99 1xrj s THR 157 Ca 0.04 -0.16 -0.28 0.00 0.31 0.00 0.00 61.69 61.61 1xrj s THR 157 Cb -0.18 -0.48 -0.14 0.00 0.01 0.00 0.00 72.50 71.71 1xrj s THR 157 CO 0.08 0.18 0.94 0.47 -0.69 0.00 0.00 174.62 175.61 1xrj n ASP 158 N 3.61 0.95 -0.22 3.53 8.00 -1.26 -4.71 116.55 126.44 1xrj n ASP 158 Ca -0.21 1.17 0.02 0.00 0.71 0.00 0.00 54.79 56.48 1xrj n ASP 158 Cb 0.53 -1.24 0.14 0.00 -0.02 0.00 0.00 41.12 40.53 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 1.84 0.88 -0.57 2.24 0.00 -1.98 0.01 119.26 121.69 1xrj h ALA 159 Ca -0.38 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1xrj h ALA 159 Cb 1.35 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1xrj h ALA 159 CO 0.60 -0.19 -0.03 0.38 0.00 0.00 0.00 179.25 180.01 1xrj h ASP 160 N 0.43 0.98 -0.53 0.00 2.03 -2.00 -1.20 116.42 116.13 1xrj h ASP 160 Ca 0.35 -0.28 -0.03 0.00 -0.73 0.00 0.00 57.03 56.34 1xrj h ASP 160 Cb 0.46 -0.26 -0.02 0.00 -0.83 0.00 0.00 39.33 38.67 1xrj h ASP 160 CO -0.34 1.05 0.23 0.74 -1.03 0.00 0.00 179.24 179.89 1xrj h THR 161 N 0.91 1.21 -0.49 1.15 2.02 -1.71 -2.21 112.91 113.79 1xrj h THR 161 Ca 0.16 -0.63 -0.05 0.00 0.77 0.00 0.00 66.41 66.66 1xrj h THR 161 Cb 0.57 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1xrj h THR 161 CO 0.03 0.25 0.10 0.03 0.37 0.00 0.00 175.52 176.30 1xrj h ARG 162 N 0.72 0.75 -0.39 6.66 3.08 -0.72 -2.30 114.38 122.17 1xrj h ARG 162 Ca 0.18 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1xrj h ARG 162 Cb 0.17 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1xrj h ARG 162 CO -0.02 0.69 0.08 1.25 -1.07 0.00 0.00 179.97 180.91 1xrj h LEU 163 N 0.72 0.61 -0.48 3.04 5.85 -0.90 -0.05 115.31 124.11 1xrj h LEU 163 Ca 0.16 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.68 1xrj h LEU 163 Cb 0.29 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1xrj h LEU 163 CO 0.00 0.70 0.23 -1.28 -0.34 0.00 0.00 178.44 177.75 1xrj h SER 164 N 0.50 0.31 -0.43 1.25 0.87 -1.14 -0.35 113.55 114.57 1xrj h SER 164 Ca 0.12 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1xrj h SER 164 Cb 0.33 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 1xrj h SER 164 CO 0.00 0.22 0.18 0.03 -0.53 0.00 0.00 176.83 176.73 1xrj h ARG 165 N 0.45 0.63 -0.62 2.24 3.08 -1.18 -2.89 114.38 116.09 1xrj h ARG 165 Ca 0.21 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 1xrj h ARG 165 Cb 0.14 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 1xrj h ARG 165 CO -0.16 0.57 0.19 -0.09 -1.07 0.00 0.00 179.97 179.42 1xrj h ARG 166 N 0.54 0.95 0.17 0.04 2.43 -0.50 -0.74 114.38 117.27 1xrj h ARG 166 Ca 0.14 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1xrj h ARG 166 Cb 0.17 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1xrj h ARG 166 CO -0.01 0.81 -0.08 0.28 -1.51 0.00 0.00 179.97 179.46 1xrj h VAL 167 N 0.92 0.85 -0.44 0.20 2.07 -0.98 0.22 116.25 119.08 1xrj h VAL 167 Ca 0.21 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.64 1xrj h VAL 167 Cb 0.26 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1xrj h VAL 167 CO -0.01 0.01 0.13 -0.07 0.02 0.00 0.00 177.57 177.65 1xrj h LEU 168 N -0.24 0.66 -0.14 2.57 3.38 -1.37 -2.24 115.31 117.92 1xrj h LEU 168 Ca -0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1xrj h LEU 168 Cb 0.19 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1xrj h LEU 168 CO 0.04 0.70 0.04 -0.09 0.09 0.00 0.00 178.44 179.22 1xrj h ARG 169 N 0.58 0.23 -0.48 1.13 2.43 -1.02 -2.31 114.38 114.94 1xrj h ARG 169 Ca 0.14 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1xrj h ARG 169 Cb 0.29 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1xrj h ARG 169 CO -0.00 0.37 0.15 -0.44 -1.51 0.00 0.00 179.97 178.54 1xrj h ASP 170 N 0.04 0.64 -0.05 -3.80 5.19 -0.56 0.22 116.42 118.12 1xrj h ASP 170 Ca 0.05 -0.09 -0.18 0.00 -0.62 0.00 0.00 57.03 56.19 1xrj h ASP 170 Cb 0.24 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.58 1xrj h ASP 170 CO -0.00 0.61 -0.61 0.40 -3.12 0.00 0.00 179.24 176.52 1xrj h ILE 171 N 0.69 1.31 -0.00 0.35 2.04 -1.33 -1.63 117.51 118.93 1xrj h ILE 171 Ca 0.16 -1.86 0.00 0.00 1.00 0.00 0.00 64.86 64.16 1xrj h ILE 171 Cb 0.20 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1xrj h ILE 171 CO -0.01 0.58 -0.82 -1.54 0.00 0.00 0.00 178.15 176.36 1xrj n SER 172 N -3.95 0.94 0.00 1.72 3.41 -0.88 -4.31 113.62 110.55 1xrj n SER 172 Ca -0.04 -0.84 0.00 0.00 -0.26 0.00 0.00 58.87 57.73 1xrj n SER 172 Cb 0.65 0.76 0.00 0.00 -0.26 0.00 0.00 64.21 65.36 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 -1.39 2.56 -0.23 4.33 1.02 0.76 -4.82 120.64 122.86 1xrj n GLU 173 Ca 0.05 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.26 1xrj n GLU 173 Cb 0.34 -0.86 0.17 0.00 -0.02 0.00 0.00 31.44 31.07 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 -1.44 2.65 -3.86 3.49 1.74 -0.66 -4.80 116.66 113.78 1xrj n ARG 174 Ca 0.00 -2.36 -0.26 0.00 -0.77 0.00 0.00 57.85 54.47 1xrj n ARG 174 Cb 0.26 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.23 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 -0.35 -0.33 3.78 -0.13 0.00 -1.05 -4.19 105.19 102.91 1xrj n GLY 175 Ca 0.14 0.15 -0.22 0.00 0.00 0.00 0.00 46.02 46.09 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 -6.36 2.51 -0.01 1.61 1.81 -0.95 -5.03 118.95 112.53 1xrj s ARG 176 Ca 0.22 -1.45 0.02 0.00 -1.72 0.00 0.00 55.73 52.80 1xrj s ARG 176 Cb -0.11 -2.29 -0.03 0.00 -0.45 0.00 0.00 34.95 32.06 1xrj s ARG 176 CO 0.84 0.10 -0.03 -0.51 -0.68 0.00 0.00 175.30 175.03 1xrj s ASP 177 N -3.90 4.93 0.14 0.23 1.01 -1.26 -4.38 116.67 113.44 1xrj s ASP 177 Ca 0.39 -0.04 -0.32 0.00 0.71 0.00 0.00 52.55 53.29 1xrj s ASP 177 Cb -0.04 -1.25 -0.08 0.00 1.01 0.00 0.00 42.92 42.56 1xrj s ASP 177 CO 0.24 0.30 1.55 0.25 0.21 0.00 0.00 175.17 177.71 1xrj h LEU 178 N 4.53 -1.93 -0.83 1.23 5.85 -1.99 0.02 115.31 122.19 1xrj h LEU 178 Ca -0.49 0.27 0.08 0.00 0.84 0.00 0.00 57.88 58.58 1xrj h LEU 178 Cb 1.17 0.82 -0.07 0.00 0.37 0.00 0.00 40.66 42.96 1xrj h LEU 178 CO 0.55 -0.35 0.49 -0.33 -0.34 0.00 0.00 178.44 178.47 1xrj h GLU 179 N -0.26 0.82 -0.20 1.25 5.08 -1.99 -0.16 114.58 119.12 1xrj h GLU 179 Ca 0.11 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 1xrj h GLU 179 Cb 0.54 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1xrj h GLU 179 CO -0.71 0.54 -0.38 0.37 -1.00 0.00 0.00 179.01 177.83 1xrj h GLN 180 N 0.85 0.44 -0.07 2.33 4.15 -1.77 -1.28 115.11 119.75 1xrj h GLN 180 Ca 0.38 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 1xrj h GLN 180 Cb 0.29 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.97 1xrj h GLN 180 CO -0.22 0.75 0.01 0.82 -1.93 0.00 0.00 178.83 178.27 1xrj h ILE 181 N 0.37 1.21 -0.70 2.39 2.04 0.06 -0.16 117.51 122.72 1xrj h ILE 181 Ca 0.04 -0.65 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 1xrj h ILE 181 Cb 0.83 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 1xrj h ILE 181 CO 0.07 0.18 0.30 -0.07 0.00 0.00 0.00 178.15 178.63 1xrj h LEU 182 N -0.12 0.96 -0.01 1.44 3.38 -0.99 -0.62 115.31 119.35 1xrj h LEU 182 Ca 0.02 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1xrj h LEU 182 Cb 0.28 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1xrj h LEU 182 CO 0.00 0.85 0.01 -1.28 0.09 0.00 0.00 178.44 178.11 1xrj h SER 183 N 1.00 0.01 -0.77 -0.43 0.87 -1.12 -1.43 113.55 111.68 1xrj h SER 183 Ca 0.24 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 1xrj h SER 183 Cb 0.18 -0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.10 1xrj h SER 183 CO -0.02 0.12 0.41 -0.61 -0.53 0.00 0.00 176.83 176.20 1xrj h GLN 184 N -0.10 1.09 0.20 2.24 4.15 -0.89 -1.09 115.11 120.71 1xrj h GLN 184 Ca 0.00 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.29 1xrj h GLN 184 Cb 0.11 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.59 1xrj h GLN 184 CO -0.00 0.81 -0.09 -0.92 -1.93 0.00 0.00 178.83 176.69 1xrj h TYR 185 N 1.09 -0.25 -0.44 3.99 3.20 -0.90 -0.17 116.97 123.50 1xrj h TYR 185 Ca 0.27 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.03 1xrj h TYR 185 Cb 0.05 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1xrj h TYR 185 CO 0.01 -0.00 -0.17 0.82 -1.64 0.00 0.00 178.16 177.18 1xrj h ILE 186 N -0.46 1.27 -0.02 1.81 1.08 -1.19 0.22 117.51 120.22 1xrj h ILE 186 Ca -0.03 -1.27 -0.18 0.00 -0.39 0.00 0.00 64.86 62.99 1xrj h ILE 186 Cb 0.35 1.11 0.01 0.00 -3.07 0.00 0.00 36.82 35.22 1xrj h ILE 186 CO 0.04 0.43 -0.70 0.74 -0.69 0.00 0.00 178.15 177.98 1xrj h THR 187 N 0.74 1.38 0.00 -0.27 2.02 -1.20 -3.41 112.91 112.16 1xrj h THR 187 Ca 0.11 -2.08 -0.01 0.00 0.77 0.00 0.00 66.41 65.20 1xrj h THR 187 Cb 0.68 2.47 -0.00 0.00 -1.74 0.00 0.00 68.15 69.56 1xrj h THR 187 CO 0.05 0.62 -1.04 0.49 0.37 0.00 0.00 175.52 176.01 1xrj n PHE 188 N -4.12 0.00 0.32 3.16 3.01 -0.10 -4.73 117.46 114.98 1xrj n PHE 188 Ca -0.10 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.18 1xrj n PHE 188 Cb 0.72 -0.02 -0.09 0.00 -0.01 0.00 0.00 39.48 40.07 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 -0.02 0.13 0.09 -4.37 2.07 -1.10 -1.59 116.25 111.47 1xrj h VAL 189 Ca -0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.52 1xrj h VAL 189 Cb 1.02 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1xrj h VAL 189 CO -0.01 0.00 -0.25 0.50 0.02 0.00 0.00 177.57 177.83 1xrj h LYS 190 N -0.96 -0.43 -0.74 1.57 3.64 -0.82 -0.67 116.57 118.16 1xrj h LYS 190 Ca -0.06 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1xrj h LYS 190 Cb 0.81 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.68 1xrj h LYS 190 CO 0.01 -0.28 0.46 -1.35 -2.27 0.00 0.00 179.45 176.01 1xrj h PRO 191 N -0.44 0.85 -0.41 1.90 0.11 -1.79 -2.35 132.00 129.86 1xrj h PRO 191 Ca 0.04 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 1xrj h PRO 191 Cb 0.48 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 1xrj h PRO 191 CO -0.16 0.56 -0.02 0.00 -0.21 0.00 0.00 178.00 178.17 1xrj h ALA 192 N 1.33 1.20 -0.16 -0.75 0.00 -1.04 -1.10 119.26 118.74 1xrj h ALA 192 Ca 0.31 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xrj h ALA 192 Cb 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1xrj h ALA 192 CO -0.13 0.52 0.09 0.35 0.00 0.00 0.00 179.25 180.08 1xrj h PHE 193 N 0.63 0.23 -0.39 0.00 3.57 -0.62 0.29 116.94 120.64 1xrj h PHE 193 Ca 0.13 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.50 1xrj h PHE 193 Cb 0.43 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1xrj h PHE 193 CO 0.02 0.23 -0.25 0.93 -2.23 0.00 0.00 178.31 177.02 1xrj h GLU 194 N 0.15 0.80 0.18 1.11 5.08 -1.26 0.27 114.58 120.91 1xrj h GLU 194 Ca 0.06 -0.34 -0.31 0.00 -1.00 0.00 0.00 59.36 57.77 1xrj h GLU 194 Cb 0.09 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.32 1xrj h GLU 194 CO -0.01 0.96 -1.46 1.49 -1.00 0.00 0.00 179.01 178.99 1xrj h GLU 195 N 0.69 0.37 0.00 2.33 4.81 -1.08 -3.40 114.58 118.30 1xrj h GLU 195 Ca 0.09 -0.64 -0.17 0.00 -0.13 0.00 0.00 59.36 58.51 1xrj h GLU 195 Cb 0.77 0.24 -0.03 0.00 0.63 0.00 0.00 28.75 30.36 1xrj h GLU 195 CO 0.06 1.29 -1.65 1.19 -0.73 0.00 0.00 179.01 179.17 1xrj n PHE 196 N -3.58 0.00 -0.05 0.92 3.01 0.99 -4.74 117.46 114.01 1xrj n PHE 196 Ca -0.15 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.30 1xrj n PHE 196 Cb 1.06 -0.44 -0.01 0.00 -0.01 0.00 0.00 39.48 40.09 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 0.36 -1.44 0.00 5.85 -0.73 0.71 115.31 119.07 1xrj h LEU 198 Ca -0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1xrj h LEU 198 Cb 0.07 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1xrj h LEU 198 CO -0.00 0.02 0.00 -0.65 -0.34 0.00 0.00 178.44 177.47 1xrj h PRO 199 N 0.43 0.00 -0.00 5.25 0.11 -1.77 -1.64 132.00 134.37 1xrj h PRO 199 Ca 0.55 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.66 1xrj h PRO 199 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1xrj h PRO 199 CO -0.51 0.00 -0.46 0.25 -0.21 0.00 0.00 178.00 177.07 1xrj n THR 200 N -2.35 0.00 -0.09 -1.15 -2.24 0.24 -4.08 114.28 104.61 1xrj n THR 200 Ca -0.01 -0.03 0.15 0.00 -2.27 0.00 0.00 64.05 61.88 1xrj n THR 200 Cb 0.08 0.33 0.54 0.00 -2.10 0.00 0.00 70.33 69.17 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 0.31 0.32 0.00 -0.78 3.64 -1.35 -0.91 116.57 117.79 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 0.50 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1xrj h LYS 201 CO 0.00 0.21 -0.00 1.57 -2.27 0.00 0.00 179.45 178.96 1xrj h LYS 202 N 0.33 0.00 0.00 1.90 2.10 -1.78 -1.78 116.57 117.33 1xrj h LYS 202 Ca 0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.95 1xrj h LYS 202 Cb 0.72 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.05 1xrj h LYS 202 CO -0.07 0.00 -0.13 0.66 -2.00 0.00 0.00 179.45 177.90 1xrj n TYR 203 N -3.10 0.54 -2.18 0.07 4.02 -0.35 -4.89 117.16 111.29 1xrj n TYR 203 Ca -0.02 0.16 -0.38 0.00 -0.01 0.00 0.00 57.90 57.64 1xrj n TYR 203 Cb 0.11 -0.72 -0.01 0.00 -0.02 0.00 0.00 39.34 38.70 1xrj n TYR 203 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xrj s ALA 204 N -3.07 3.05 -0.07 -0.72 0.00 -0.67 -4.83 121.76 115.44 1xrj s ALA 204 Ca 0.11 1.04 -0.04 0.00 0.00 0.00 0.00 51.96 53.06 1xrj s ALA 204 Cb 0.15 -3.42 -0.27 0.00 0.00 0.00 0.00 23.12 19.58 1xrj s ALA 204 CO 0.60 -0.73 0.57 -0.44 0.00 0.00 0.00 175.76 175.76 1xrj h ASP 205 N 2.23 0.39 -3.82 0.00 3.32 -0.66 -3.47 116.42 114.41 1xrj h ASP 205 Ca -0.49 -0.73 -0.37 0.00 0.02 0.00 0.00 57.03 55.46 1xrj h ASP 205 Cb 1.25 -0.13 -0.30 0.00 0.22 0.00 0.00 39.33 40.37 1xrj h ASP 205 CO 0.61 1.64 -0.77 -0.69 -1.72 0.00 0.00 179.24 178.31 1xrj s VAL 206 N -2.58 0.54 -0.17 -1.35 1.01 -1.06 -5.05 120.40 111.73 1xrj s VAL 206 Ca -0.16 -0.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 1xrj s VAL 206 Cb 0.07 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 1xrj s VAL 206 CO 0.81 0.17 0.06 -0.63 0.00 0.00 0.00 175.10 175.52 1xrj s ILE 207 N 0.14 4.80 -0.31 2.22 -1.09 -1.26 -1.91 121.20 123.78 1xrj s ILE 207 Ca -0.01 -0.03 -0.01 0.00 -2.23 0.00 0.00 60.65 58.36 1xrj s ILE 207 Cb -0.06 -3.15 0.06 0.00 -1.58 0.00 0.00 42.46 37.73 1xrj s ILE 207 CO -0.00 0.47 0.02 -0.63 -1.23 0.00 0.00 174.94 173.57 1xrj s ILE 208 N 0.25 2.95 0.58 2.92 1.01 0.41 -4.95 121.20 124.36 1xrj s ILE 208 Ca 0.04 -1.52 -0.15 0.00 0.00 0.00 0.00 60.65 59.02 1xrj s ILE 208 Cb -0.12 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.54 1xrj s ILE 208 CO 0.00 -0.20 1.02 -2.16 0.00 0.00 0.00 174.94 173.61 1xrj s PRO 209 N 1.21 3.60 0.00 2.79 0.04 -1.26 -0.92 135.00 140.47 1xrj s PRO 209 Ca -0.03 0.98 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1xrj s PRO 209 Cb -0.20 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1xrj s PRO 209 CO -0.02 -0.56 0.00 0.54 0.04 0.00 0.00 177.00 177.00 1xrj n ARG 210 N -2.10 0.00 0.00 4.56 1.74 -0.58 -4.71 116.66 115.58 1xrj n ARG 210 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1xrj n ARG 210 Cb 0.54 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.98 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 0.00 0.18 0.32 -0.13 0.00 -1.26 -4.75 105.19 99.55 1xrj n GLY 211 Ca 0.00 -1.72 0.18 0.00 0.00 0.00 0.00 46.02 44.49 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 1.35 -0.00 4.61 0.00 -1.87 -1.62 119.26 121.73 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 -0.06 -0.04 -0.25 0.00 0.00 0.00 179.25 178.90 1xrj n ASP 213 N -3.49 0.18 -4.36 0.00 8.00 -1.26 -4.45 116.55 111.17 1xrj n ASP 213 Ca -0.02 -0.42 -0.43 0.00 0.71 0.00 0.00 54.79 54.62 1xrj n ASP 213 Cb 0.13 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 1xrj n ASP 213 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1xrj n ASN 214 N -1.12 4.90 -0.36 -2.24 2.85 -0.61 -4.82 115.26 113.87 1xrj n ASN 214 Ca 0.16 -2.95 -0.02 0.00 -0.11 0.00 0.00 54.58 51.66 1xrj n ASN 214 Cb 0.24 -1.65 0.10 0.00 1.24 0.00 0.00 39.78 39.71 1xrj n ASN 214 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1xrj h LEU 215 N 10.85 1.11 -0.47 1.20 3.38 -1.86 -1.21 115.31 128.30 1xrj h LEU 215 Ca 0.42 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.34 1xrj h LEU 215 Cb 0.82 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1xrj h LEU 215 CO 1.47 0.80 0.20 0.58 0.09 0.00 0.00 178.44 181.58 1xrj h VAL 216 N 1.31 1.20 -0.02 1.22 2.07 -1.98 0.20 116.25 120.24 1xrj h VAL 216 Ca 0.35 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1xrj h VAL 216 Cb -0.15 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1xrj h VAL 216 CO -0.08 0.23 0.01 0.00 0.02 0.00 0.00 177.57 177.75 1xrj h ALA 217 N 1.05 0.03 -0.42 1.67 0.00 -1.91 -1.93 119.26 117.75 1xrj h ALA 217 Ca 0.16 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1xrj h ALA 217 Cb 0.17 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1xrj h ALA 217 CO -0.02 -0.36 0.16 0.82 0.00 0.00 0.00 179.25 179.86 1xrj h ILE 218 N -0.17 0.89 0.00 0.00 1.08 -1.04 -1.53 117.51 116.75 1xrj h ILE 218 Ca 0.01 -0.11 -0.02 0.00 -0.39 0.00 0.00 64.86 64.34 1xrj h ILE 218 Cb 0.22 0.53 -0.00 0.00 -3.07 0.00 0.00 36.82 34.49 1xrj h ILE 218 CO -0.00 0.06 -0.10 0.78 -0.69 0.00 0.00 178.15 178.20 1xrj h ASN 219 N 0.33 0.00 -0.52 1.72 2.35 -0.50 -0.13 115.58 118.83 1xrj h ASN 219 Ca 0.19 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.84 1xrj h ASN 219 Cb 0.16 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1xrj h ASN 219 CO -0.18 0.10 -0.09 0.25 -1.65 0.00 0.00 177.43 175.87 1xrj h LEU 220 N 0.00 0.97 -0.32 1.61 5.85 -0.47 -0.73 115.31 122.23 1xrj h LEU 220 Ca -0.00 -0.35 -0.19 0.00 0.84 0.00 0.00 57.88 58.18 1xrj h LEU 220 Cb 0.22 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1xrj h LEU 220 CO 0.01 1.09 -0.60 0.40 -0.34 0.00 0.00 178.44 178.99 1xrj h ILE 221 N 0.83 1.29 -0.02 4.05 1.08 -0.86 -2.44 117.51 121.44 1xrj h ILE 221 Ca 0.14 -1.81 0.00 0.00 -0.39 0.00 0.00 64.86 62.79 1xrj h ILE 221 Cb 0.64 1.75 -0.00 0.00 -3.07 0.00 0.00 36.82 36.14 1xrj h ILE 221 CO 0.04 0.58 0.01 0.58 -0.69 0.00 0.00 178.15 178.67 1xrj h VAL 222 N 0.58 1.03 -0.84 1.67 2.07 -0.89 -0.07 116.25 119.80 1xrj h VAL 222 Ca -0.00 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1xrj h VAL 222 Cb 1.20 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 1xrj h VAL 222 CO 0.13 0.02 0.52 -0.61 0.02 0.00 0.00 177.57 177.65 1xrj h GLN 223 N -0.01 1.13 -0.42 1.57 5.75 -1.15 0.23 115.11 122.22 1xrj h GLN 223 Ca 0.01 -0.09 -0.04 0.00 -0.15 0.00 0.00 58.65 58.38 1xrj h GLN 223 Cb 0.03 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.32 1xrj h GLN 223 CO -0.00 0.77 0.10 1.25 -2.65 0.00 0.00 178.83 178.31 1xrj h HIS 224 N 1.15 0.70 -0.40 3.99 2.76 -1.10 -0.91 115.15 121.34 1xrj h HIS 224 Ca 0.30 -0.08 -0.07 0.00 -2.20 0.00 0.00 60.37 58.32 1xrj h HIS 224 Cb -0.08 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.67 1xrj h HIS 224 CO 0.00 0.66 -0.04 0.82 -1.30 0.00 0.00 177.93 178.07 1xrj h ILE 225 N 0.53 1.27 -0.73 6.26 2.04 -0.40 -2.37 117.51 124.12 1xrj h ILE 225 Ca 0.13 -1.08 0.04 0.00 1.00 0.00 0.00 64.86 64.95 1xrj h ILE 225 Cb 0.31 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 1xrj h ILE 225 CO 0.00 0.36 0.48 -0.61 0.00 0.00 0.00 178.15 178.38 1xrj h GLN 226 N 0.55 0.82 -0.69 2.37 5.75 -0.38 0.57 115.11 124.10 1xrj h GLN 226 Ca 0.11 -0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 58.51 1xrj h GLN 226 Cb 0.53 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.87 1xrj h GLN 226 CO 0.03 0.54 0.25 0.22 -2.65 0.00 0.00 178.83 177.22 1xrj h ASP 227 N 0.85 0.96 -0.36 -0.69 1.82 -0.86 -2.04 116.42 116.09 1xrj h ASP 227 Ca 0.30 -0.15 -0.13 0.00 -0.39 0.00 0.00 57.03 56.66 1xrj h ASP 227 Cb 0.12 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 39.87 1xrj h ASP 227 CO -0.09 0.87 -0.29 0.40 -1.61 0.00 0.00 179.24 178.52 1xrj h ILE 228 N 1.01 1.28 0.00 2.25 2.04 -0.46 -2.90 117.51 120.73 1xrj h ILE 228 Ca 0.23 -1.45 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 1xrj h ILE 228 Cb 0.23 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1xrj h ILE 228 CO -0.02 0.48 -0.06 -0.07 0.00 0.00 0.00 178.15 178.48 1xrj h LEU 229 N 0.62 0.00 -0.74 1.44 3.38 -0.65 -3.52 115.31 115.83 1xrj h LEU 229 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1xrj h LEU 229 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1xrj h LEU 229 CO 0.08 0.06 0.00 0.59 0.09 0.00 0.00 178.44 179.25