#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rjj n ALA 2 N 0.00 0.00 -0.52 3.04 0.00 -1.26 -4.84 120.51 116.93 1rjj n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rjj n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1rjj n ALA 2 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1rjj n THR 3 N 0.00 0.00 0.00 0.00 5.66 -1.26 -4.46 114.28 114.22 1rjj n THR 3 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1rjj n THR 3 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1rjj n THR 3 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1rjj n SER 4 N 0.00 0.00 -3.94 1.09 2.88 -1.26 -4.97 113.62 107.42 1rjj n SER 4 Ca 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 1rjj n SER 4 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1rjj n SER 4 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1rjj s GLY 5 N -0.16 2.22 -0.14 0.46 0.00 -1.20 -4.81 107.32 103.69 1rjj s GLY 5 Ca 0.00 -1.69 -0.00 0.00 0.00 0.00 0.00 44.72 43.03 1rjj s GLY 5 CO 0.00 -1.63 -0.13 -1.36 0.00 0.00 0.00 173.10 169.98 1rjj s PHE 6 N -3.49 2.80 -0.18 1.90 0.08 -0.57 -2.41 117.98 116.12 1rjj s PHE 6 Ca 0.34 -0.72 -0.08 0.00 0.12 0.00 0.00 56.93 56.59 1rjj s PHE 6 Cb 0.04 -1.86 -0.04 0.00 -0.57 0.00 0.00 43.02 40.59 1rjj s PHE 6 CO 0.18 -0.27 0.08 0.21 -0.10 0.00 0.00 175.22 175.32 1rjj s LYS 7 N 0.46 3.95 -0.12 0.44 2.20 -1.23 -0.69 119.74 124.75 1rjj s LYS 7 Ca -0.10 -0.30 0.01 0.00 -0.36 0.00 0.00 55.97 55.22 1rjj s LYS 7 Cb -0.16 -3.24 0.02 0.00 -1.51 0.00 0.00 37.83 32.94 1rjj s LYS 7 CO 0.05 0.33 -0.15 -1.58 -0.36 0.00 0.00 175.35 173.64 1rjj s HIS 8 N 0.22 2.01 -0.01 4.03 5.65 0.19 -2.96 115.29 124.42 1rjj s HIS 8 Ca 0.05 -1.00 0.04 0.00 0.25 0.00 0.00 55.06 54.39 1rjj s HIS 8 Cb -0.12 -1.47 -0.01 0.00 -1.18 0.00 0.00 32.58 29.81 1rjj s HIS 8 CO -0.00 -0.54 -0.11 -1.17 -0.65 0.00 0.00 174.74 172.27 1rjj s LEU 9 N 1.17 2.02 -0.06 8.88 0.20 -0.81 -0.65 118.68 129.43 1rjj s LEU 9 Ca -0.03 -0.21 0.03 0.00 0.69 0.00 0.00 54.13 54.62 1rjj s LEU 9 Cb -0.14 -0.59 0.00 0.00 -0.43 0.00 0.00 46.19 45.03 1rjj s LEU 9 CO -0.05 0.14 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.30 1rjj s VAL 10 N -0.27 1.40 -0.13 1.68 1.01 -0.77 -0.97 120.40 122.35 1rjj s VAL 10 Ca 0.04 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 1rjj s VAL 10 Cb -0.04 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 1rjj s VAL 10 CO -0.00 0.41 -0.11 -0.69 0.00 0.00 0.00 175.10 174.70 1rjj s VAL 11 N 0.31 3.23 0.24 2.92 1.01 -0.01 -0.05 120.40 128.06 1rjj s VAL 11 Ca -0.10 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.31 1rjj s VAL 11 Cb -0.14 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 1rjj s VAL 11 CO 0.04 0.52 0.03 0.68 0.00 0.00 0.00 175.10 176.37 1rjj s VAL 12 N 0.29 0.87 0.04 2.92 -7.23 -0.44 -2.42 120.40 114.44 1rjj s VAL 12 Ca -0.08 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.09 1rjj s VAL 12 Cb -0.15 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.31 1rjj s VAL 12 CO 0.05 -0.22 -0.06 -0.54 -0.31 0.00 0.00 175.10 174.02 1rjj s LYS 13 N -3.92 0.49 0.04 4.82 -0.14 -1.23 -3.45 119.74 116.35 1rjj s LYS 13 Ca 0.31 -0.78 0.03 0.00 -1.36 0.00 0.00 55.97 54.17 1rjj s LYS 13 Cb 0.07 -0.14 -0.04 0.00 -1.68 0.00 0.00 37.83 36.04 1rjj s LYS 13 CO 0.10 0.01 0.01 -0.06 -0.76 0.00 0.00 175.35 174.64 1rjj s PHE 14 N -1.70 3.05 0.00 3.18 0.08 -1.26 0.26 117.98 121.59 1rjj s PHE 14 Ca -0.09 0.03 0.00 0.00 0.12 0.00 0.00 56.93 56.99 1rjj s PHE 14 Cb -0.08 -1.61 0.00 0.00 -0.57 0.00 0.00 43.02 40.76 1rjj s PHE 14 CO -0.01 0.47 0.00 0.36 -0.10 0.00 0.00 175.22 175.94 1rjj n LYS 15 N 0.98 2.42 -0.07 0.44 2.85 -1.26 -4.77 118.16 118.74 1rjj n LYS 15 Ca -0.12 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.09 1rjj n LYS 15 Cb 0.52 -0.80 -0.02 0.00 -0.65 0.00 0.00 35.03 34.08 1rjj n LYS 15 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1rjj h GLU 16 N 0.00 0.00 0.00 -1.58 4.81 -1.91 -3.49 114.58 112.41 1rjj h GLU 16 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1rjj h GLU 16 Cb 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1rjj h GLU 16 CO 0.00 0.09 0.00 -0.25 -0.73 0.00 0.00 179.01 178.12 1rjj n ASP 17 N -4.64 0.00 -4.61 1.04 8.00 -1.26 -5.10 116.55 109.98 1rjj n ASP 17 Ca -0.07 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.00 1rjj n ASP 17 Cb 0.24 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.31 1rjj n ASP 17 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1rjj s THR 18 N 0.00 3.00 -1.09 -3.53 2.01 -1.26 -4.88 115.64 109.89 1rjj s THR 18 Ca 0.00 0.00 -0.22 0.00 0.31 0.00 0.00 61.69 61.79 1rjj s THR 18 Cb 0.00 -3.00 0.06 0.00 0.01 0.00 0.00 72.50 69.57 1rjj s THR 18 CO 0.00 -0.00 1.52 -0.54 -0.69 0.00 0.00 174.62 174.91 1rjj s LYS 19 N 6.06 3.70 0.46 4.92 3.01 -1.26 -4.79 119.74 131.84 1rjj s LYS 19 Ca 0.99 -1.38 0.15 0.00 -1.01 0.00 0.00 55.97 54.73 1rjj s LYS 19 Cb -0.35 -5.39 1.11 0.00 -1.01 0.00 0.00 37.83 32.18 1rjj s LYS 19 CO 0.36 -2.21 2.01 -0.39 0.51 0.00 0.00 175.35 175.64 1rjj h VAL 20 N 6.44 0.90 -0.49 3.17 -1.51 -1.99 -0.92 116.25 121.85 1rjj h VAL 20 Ca 0.27 -0.10 -0.08 0.00 -1.23 0.00 0.00 66.70 65.56 1rjj h VAL 20 Cb 0.97 0.58 -0.02 0.00 -2.13 0.00 0.00 31.29 30.69 1rjj h VAL 20 CO 1.43 0.05 -0.00 -2.24 -1.23 0.00 0.00 177.57 175.58 1rjj h ASP 21 N 0.30 0.79 0.02 4.19 2.03 -1.99 0.43 116.42 122.20 1rjj h ASP 21 Ca 0.22 -0.20 -0.13 0.00 -0.73 0.00 0.00 57.03 56.19 1rjj h ASP 21 Cb 0.49 -0.21 -0.01 0.00 -0.83 0.00 0.00 39.33 38.77 1rjj h ASP 21 CO -0.05 0.86 -0.44 -0.33 -1.03 0.00 0.00 179.24 178.25 1rjj h GLU 22 N 0.76 0.50 -0.40 4.15 5.08 -1.59 -2.23 114.58 120.86 1rjj h GLU 22 Ca 0.15 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1rjj h GLU 22 Cb 0.46 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1rjj h GLU 22 CO 0.02 0.85 0.18 0.82 -1.00 0.00 0.00 179.01 179.87 1rjj h ILE 23 N 0.41 1.18 -1.00 3.13 1.08 -0.73 -1.08 117.51 120.51 1rjj h ILE 23 Ca 0.03 -0.55 0.23 0.00 -0.39 0.00 0.00 64.86 64.18 1rjj h ILE 23 Cb 0.93 0.81 -0.09 0.00 -3.07 0.00 0.00 36.82 35.39 1rjj h ILE 23 CO 0.08 0.20 0.63 0.25 -0.69 0.00 0.00 178.15 178.63 1rjj h LEU 24 N 0.50 0.55 -1.38 1.44 5.85 0.39 1.46 115.31 124.12 1rjj h LEU 24 Ca 0.13 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.94 1rjj h LEU 24 Cb 0.15 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1rjj h LEU 24 CO -0.01 0.16 0.42 0.50 -0.34 0.00 0.00 178.44 179.17 1rjj h LYS 25 N 0.51 0.83 0.13 1.25 3.64 -0.63 0.23 116.57 122.54 1rjj h LYS 25 Ca 0.57 -0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 59.67 1rjj h LYS 25 Cb 1.25 -0.19 0.02 0.00 -0.41 0.00 0.00 32.23 32.90 1rjj h LYS 25 CO -0.31 0.55 -0.97 0.78 -2.27 0.00 0.00 179.45 177.23 1rjj h GLY 26 N 0.86 0.48 0.45 5.01 0.00 0.17 -2.83 103.07 107.21 1rjj h GLY 26 Ca 0.24 -1.10 -0.01 0.00 0.00 0.00 0.00 47.33 46.46 1rjj h GLY 26 CO -0.05 0.97 -0.49 -2.00 0.00 0.00 0.00 176.54 174.97 1rjj h LEU 27 N -0.11 -1.37 -1.51 3.11 7.12 0.18 0.51 115.31 123.23 1rjj h LEU 27 Ca -0.16 0.12 0.17 0.00 0.13 0.00 0.00 57.88 58.14 1rjj h LEU 27 Cb 1.73 0.47 -0.06 0.00 -0.53 0.00 0.00 40.66 42.26 1rjj h LEU 27 CO 0.18 -0.62 0.55 1.05 -0.13 0.00 0.00 178.44 179.47 1rjj h GLU 28 N -0.92 0.43 -0.46 1.25 4.11 -0.70 0.76 114.58 119.05 1rjj h GLU 28 Ca -0.04 -0.03 0.01 0.00 0.07 0.00 0.00 59.36 59.37 1rjj h GLU 28 Cb 0.83 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1rjj h GLU 28 CO -0.11 0.29 0.30 -0.97 0.07 0.00 0.00 179.01 178.58 1rjj h ASN 29 N 0.44 0.51 -0.75 3.06 -0.73 -0.48 -1.65 115.58 115.98 1rjj h ASN 29 Ca 0.42 -0.01 0.16 0.00 1.87 0.00 0.00 56.30 58.74 1rjj h ASN 29 Cb 0.97 -0.12 -0.10 0.00 0.27 0.00 0.00 38.32 39.34 1rjj h ASN 29 CO -0.15 0.37 0.25 0.25 -0.37 0.00 0.00 177.43 177.78 1rjj h LEU 30 N 0.61 0.17 -1.46 0.34 6.46 0.52 0.63 115.31 122.58 1rjj h LEU 30 Ca 0.17 0.13 0.37 0.00 -0.12 0.00 0.00 57.88 58.43 1rjj h LEU 30 Cb -0.05 0.14 -0.11 0.00 -0.73 0.00 0.00 40.66 39.91 1rjj h LEU 30 CO -0.05 0.03 0.80 0.58 -0.62 0.00 0.00 178.44 179.19 1rjj h VAL 31 N 0.36 0.29 -0.94 1.05 2.07 -0.76 1.03 116.25 119.35 1rjj h VAL 31 Ca 0.42 -0.07 0.26 0.00 0.82 0.00 0.00 66.70 68.14 1rjj h VAL 31 Cb 0.69 0.09 -0.17 0.00 -1.52 0.00 0.00 31.29 30.38 1rjj h VAL 31 CO -0.46 0.03 0.10 0.28 0.02 0.00 0.00 177.57 177.55 1rjj h SER 32 N 0.19 -0.31 0.89 0.57 0.02 0.27 2.25 113.55 117.43 1rjj h SER 32 Ca 0.72 0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 61.88 1rjj h SER 32 Cb 2.19 0.41 -0.01 0.00 0.14 0.00 0.00 62.40 65.13 1rjj h SER 32 CO -0.32 -0.30 -0.19 1.56 -1.14 0.00 0.00 176.83 176.43 1rjj h GLN 33 N 0.06 0.00 -0.98 3.45 7.50 0.99 -3.14 115.11 122.98 1rjj h GLN 33 Ca 0.58 0.00 -0.13 0.00 0.50 0.00 0.00 58.65 59.60 1rjj h GLN 33 Cb 1.20 0.00 -0.08 0.00 0.05 0.00 0.00 27.48 28.66 1rjj h GLN 33 CO -0.82 0.19 0.16 -0.89 -1.50 0.00 0.00 178.83 175.97 1rjj n ILE 34 N -3.38 1.51 0.14 2.54 5.41 0.76 -3.99 119.36 122.35 1rjj n ILE 34 Ca 0.00 -0.54 0.02 0.00 1.00 0.00 0.00 62.75 63.23 1rjj n ILE 34 Cb 0.40 -0.78 0.08 0.00 -0.71 0.00 0.00 39.64 38.64 1rjj n ILE 34 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1rjj n ASP 35 N 0.04 0.00 -0.33 4.38 5.68 -1.16 0.97 116.55 126.12 1rjj n ASP 35 Ca 0.16 0.33 0.13 0.00 -0.50 0.00 0.00 54.79 54.91 1rjj n ASP 35 Cb 0.79 -0.36 0.57 0.00 -1.14 0.00 0.00 41.12 40.98 1rjj n ASP 35 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1rjj n THR 36 N -1.36 0.06 -2.01 2.12 5.66 -1.26 -4.87 114.28 112.63 1rjj n THR 36 Ca 0.01 -0.19 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1rjj n THR 36 Cb 0.03 0.15 0.00 0.00 -1.55 0.00 0.00 70.33 68.96 1rjj n THR 36 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 1rjj n VAL 37 N -0.16 0.00 -1.94 1.08 0.24 0.27 -4.63 118.33 113.19 1rjj n VAL 37 Ca 0.18 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.25 1rjj n VAL 37 Cb 0.26 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.66 1rjj n VAL 37 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1rjj n LYS 38 N -1.96 3.44 -3.47 7.34 5.02 -1.26 -4.99 118.16 122.27 1rjj n LYS 38 Ca 0.00 -4.05 -0.14 0.00 -2.02 0.00 0.00 58.31 52.10 1rjj n LYS 38 Cb 0.36 -2.25 -0.03 0.00 -0.02 0.00 0.00 35.03 33.09 1rjj n LYS 38 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1rjj s SER 39 N -3.44 -0.55 0.03 4.39 0.01 -1.26 -3.18 113.70 109.69 1rjj s SER 39 Ca 0.51 0.17 -0.06 0.00 1.31 0.00 0.00 55.95 57.89 1rjj s SER 39 Cb 0.42 0.57 -0.01 0.00 0.21 0.00 0.00 66.02 67.20 1rjj s SER 39 CO 0.03 -0.85 0.10 -0.36 0.41 0.00 0.00 173.24 172.58 1rjj s PHE 40 N -3.00 0.17 -0.27 2.43 0.08 0.20 -4.94 117.98 112.65 1rjj s PHE 40 Ca -0.02 -0.44 -0.12 0.00 0.12 0.00 0.00 56.93 56.46 1rjj s PHE 40 Cb -0.01 -0.12 0.10 0.00 -0.57 0.00 0.00 43.02 42.42 1rjj s PHE 40 CO -0.06 -0.35 0.63 -1.21 -0.10 0.00 0.00 175.22 174.13 1rjj s GLU 41 N -2.40 0.61 0.42 0.44 8.01 -1.26 -1.69 118.70 122.83 1rjj s GLU 41 Ca -0.07 1.28 0.04 0.00 0.01 0.00 0.00 54.97 56.23 1rjj s GLU 41 Cb -0.02 0.44 -0.04 0.00 -4.31 0.00 0.00 34.13 30.19 1rjj s GLU 41 CO -0.04 -0.18 0.04 -0.46 0.01 0.00 0.00 175.26 174.64 1rjj s TRP 42 N 2.20 2.03 0.09 1.61 -0.11 -0.37 -4.97 118.94 119.42 1rjj s TRP 42 Ca -0.08 -0.96 0.04 0.00 1.22 0.00 0.00 56.10 56.32 1rjj s TRP 42 Cb -0.09 -1.48 -0.03 0.00 -1.50 0.00 0.00 33.47 30.37 1rjj s TRP 42 CO -0.19 0.12 -0.11 0.20 -4.62 0.00 0.00 176.95 172.35 1rjj s GLY 43 N -3.69 0.82 -0.10 5.86 0.00 -1.26 -2.63 107.32 106.31 1rjj s GLY 43 Ca 0.24 -1.09 -0.09 0.00 0.00 0.00 0.00 44.72 43.78 1rjj s GLY 43 CO 0.12 -1.15 0.27 -0.54 0.00 0.00 0.00 173.10 171.80 1rjj s GLU 44 N -2.37 0.30 0.04 2.90 2.02 -1.08 -4.98 118.70 115.53 1rjj s GLU 44 Ca 0.02 0.42 0.09 0.00 0.02 0.00 0.00 54.97 55.52 1rjj s GLU 44 Cb -0.06 0.10 -0.03 0.00 0.10 0.00 0.00 34.13 34.24 1rjj s GLU 44 CO 0.01 -0.06 -0.26 0.34 0.02 0.00 0.00 175.26 175.31 1rjj s ASP 45 N 0.38 3.10 -0.15 -0.19 2.15 -1.26 -1.42 116.67 119.28 1rjj s ASP 45 Ca -0.02 -0.58 -0.06 0.00 0.43 0.00 0.00 52.55 52.32 1rjj s ASP 45 Cb -0.04 -0.28 0.07 0.00 -0.30 0.00 0.00 42.92 42.37 1rjj s ASP 45 CO -0.02 0.25 0.33 -1.59 -0.17 0.00 0.00 175.17 173.98 1rjj s LYS 46 N -1.20 0.24 -0.34 4.34 0.00 0.13 -4.92 119.74 117.99 1rjj s LYS 46 Ca 0.11 0.82 0.15 0.00 0.00 0.00 0.00 55.97 57.05 1rjj s LYS 46 Cb -0.10 0.08 0.43 0.00 0.00 0.00 0.00 37.83 38.24 1rjj s LYS 46 CO 0.02 -0.24 1.27 0.39 0.00 0.00 0.00 175.35 176.78 1rjj n GLU 47 N 5.09 1.33 -4.19 1.78 -0.58 -1.26 -3.98 120.64 118.83 1rjj n GLU 47 Ca -0.11 -2.32 -0.30 0.00 -0.42 0.00 0.00 57.16 54.01 1rjj n GLU 47 Cb 0.51 -0.50 -0.16 0.00 -0.57 0.00 0.00 31.44 30.71 1rjj n GLU 47 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1rjj s SER 48 N -2.13 2.66 0.19 1.62 0.01 -1.26 -4.99 113.70 109.80 1rjj s SER 48 Ca 0.21 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.98 1rjj s SER 48 Cb 0.41 -1.18 0.00 0.00 0.21 0.00 0.00 66.02 65.46 1rjj s SER 48 CO -0.06 -0.02 0.00 1.41 0.41 0.00 0.00 173.24 174.97 1rjj n HIS 49 N 4.56 -4.49 -0.32 2.43 8.25 -1.26 -1.17 115.22 123.22 1rjj n HIS 49 Ca -0.18 2.71 0.02 0.00 -0.26 0.00 0.00 57.72 60.01 1rjj n HIS 49 Cb 0.50 -3.54 0.16 0.00 1.12 0.00 0.00 29.99 28.24 1rjj n HIS 49 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1rjj h ASP 50 N 3.88 0.83 0.41 0.41 3.32 -1.94 0.80 116.42 124.13 1rjj h ASP 50 Ca 0.00 0.03 -0.14 0.00 0.02 0.00 0.00 57.03 56.94 1rjj h ASP 50 Cb 0.00 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1rjj h ASP 50 CO 0.00 0.51 -0.58 0.00 -1.72 0.00 0.00 179.24 177.44 1rjj h MET 51 N 0.95 0.18 0.00 3.56 -0.00 -1.95 -3.10 114.93 114.57 1rjj h MET 51 Ca 0.40 -0.12 -0.12 0.00 -0.00 0.00 0.00 59.70 59.86 1rjj h MET 51 Cb 0.25 0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 31.85 1rjj h MET 51 CO -0.20 0.71 -0.75 -0.07 -0.00 0.00 0.00 176.91 176.59 1rjj h LEU 52 N 0.13 0.00 0.00 -0.10 3.38 -1.51 -3.33 115.31 113.89 1rjj h LEU 52 Ca -0.00 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1rjj h LEU 52 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1rjj h LEU 52 CO 0.09 1.18 0.00 -2.11 0.09 0.00 0.00 178.44 177.68 1rjj n ARG 53 N -4.53 0.10 -0.06 1.13 1.85 0.27 -4.70 116.66 110.71 1rjj n ARG 53 Ca -0.20 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.65 1rjj n ARG 53 Cb 0.51 -1.10 0.00 0.00 -1.05 0.00 0.00 32.46 30.82 1rjj n ARG 53 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1rjj n GLN 54 N -0.60 0.00 0.00 2.89 1.13 -1.17 -2.75 117.38 116.87 1rjj n GLN 54 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1rjj n GLN 54 Cb 0.00 -2.82 0.00 0.00 0.11 0.00 0.00 30.24 27.53 1rjj n GLN 54 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1rjj n GLY 55 N -1.29 3.09 0.00 1.08 0.00 -1.23 -5.00 105.19 101.84 1rjj n GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1rjj n GLY 55 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1rjj n PHE 56 N -1.67 0.00 0.00 1.61 3.72 -1.11 -5.04 117.46 114.97 1rjj n PHE 56 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1rjj n PHE 56 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1rjj n PHE 56 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1rjj n THR 57 N 0.00 0.00 -3.58 4.37 5.66 -1.24 -4.88 114.28 114.61 1rjj n THR 57 Ca 0.00 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.93 1rjj n THR 57 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 1rjj n THR 57 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 1rjj s HIS 58 N -0.85 -0.25 0.23 1.09 5.65 -1.22 -0.69 115.29 119.24 1rjj s HIS 58 Ca 0.00 0.33 -0.01 0.00 0.25 0.00 0.00 55.06 55.62 1rjj s HIS 58 Cb 0.00 0.49 -0.03 0.00 -1.18 0.00 0.00 32.58 31.86 1rjj s HIS 58 CO 0.00 -0.29 0.20 0.00 -0.65 0.00 0.00 174.74 173.99 1rjj s ALA 59 N -1.78 1.09 -0.15 1.58 0.00 -0.51 -1.32 121.76 120.67 1rjj s ALA 59 Ca 0.04 -1.65 0.01 0.00 0.00 0.00 0.00 51.96 50.36 1rjj s ALA 59 Cb -0.01 1.36 0.02 0.00 0.00 0.00 0.00 23.12 24.49 1rjj s ALA 59 CO -0.03 -0.63 -0.16 -0.06 0.00 0.00 0.00 175.76 174.87 1rjj s PHE 60 N -4.02 2.30 -0.55 0.00 0.40 0.93 -2.63 117.98 114.42 1rjj s PHE 60 Ca 0.37 -1.27 -0.18 0.00 -0.60 0.00 0.00 56.93 55.25 1rjj s PHE 60 Cb 0.05 -1.65 0.10 0.00 0.51 0.00 0.00 43.02 42.03 1rjj s PHE 60 CO 0.14 -0.66 0.60 -1.12 0.70 0.00 0.00 175.22 174.88 1rjj s SER 61 N 1.31 6.19 -0.20 1.36 0.01 -1.08 -1.85 113.70 119.44 1rjj s SER 61 Ca 0.02 -1.44 -0.04 0.00 1.31 0.00 0.00 55.95 55.79 1rjj s SER 61 Cb -0.13 -2.26 -0.02 0.00 0.21 0.00 0.00 66.02 63.82 1rjj s SER 61 CO -0.09 -0.96 -0.02 -0.04 0.41 0.00 0.00 173.24 172.54 1rjj s MET 62 N 2.26 3.53 0.08 12.44 -1.94 0.18 -1.23 119.30 134.62 1rjj s MET 62 Ca 0.09 -0.56 0.08 0.00 -1.71 0.00 0.00 55.69 53.59 1rjj s MET 62 Cb -0.25 -3.04 -0.03 0.00 2.01 0.00 0.00 34.83 33.52 1rjj s MET 62 CO 0.06 -0.05 -0.21 0.99 -0.01 0.00 0.00 175.02 175.80 1rjj s THR 63 N 1.13 1.75 0.17 2.05 2.01 -0.68 0.55 115.64 122.63 1rjj s THR 63 Ca 0.02 -1.44 0.08 0.00 0.31 0.00 0.00 61.69 60.66 1rjj s THR 63 Cb -0.14 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 1rjj s THR 63 CO 0.01 0.05 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.46 1rjj s PHE 64 N -1.02 1.77 -0.00 4.92 0.08 0.14 0.63 117.98 124.49 1rjj s PHE 64 Ca 0.08 -0.49 0.11 0.00 0.12 0.00 0.00 56.93 56.74 1rjj s PHE 64 Cb -0.10 -0.87 -0.14 0.00 -0.57 0.00 0.00 43.02 41.34 1rjj s PHE 64 CO 0.03 0.32 1.16 1.49 -0.10 0.00 0.00 175.22 178.13 1rjj h GLU 65 N 3.14 0.00 -2.54 0.44 4.57 -1.87 -1.50 114.58 116.82 1rjj h GLU 65 Ca -0.41 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 57.91 1rjj h GLU 65 Cb 1.21 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.72 1rjj h GLU 65 CO 0.53 0.71 0.41 -0.80 -1.18 0.00 0.00 179.01 178.68 1rjj s ASN 66 N -6.44 -0.22 0.60 1.04 0.02 -1.26 -4.67 114.94 104.02 1rjj s ASN 66 Ca 0.00 -0.43 0.38 0.00 -1.02 0.00 0.00 52.86 51.79 1rjj s ASN 66 Cb 0.09 0.55 2.07 0.00 0.02 0.00 0.00 41.25 43.98 1rjj s ASN 66 CO 0.80 -1.01 2.16 0.11 0.02 0.00 0.00 177.10 179.18 1rjj h LYS 67 N 2.00 0.00 -0.94 -0.60 1.57 -1.95 -2.73 116.57 113.91 1rjj h LYS 67 Ca -0.23 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.57 1rjj h LYS 67 Cb 1.24 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.50 1rjj h LYS 67 CO 0.25 0.00 0.62 0.38 -0.57 0.00 0.00 179.45 180.14 1rjj h ASP 68 N 0.00 1.06 0.32 0.86 2.03 -1.95 -0.33 116.42 118.41 1rjj h ASP 68 Ca 0.00 -0.02 -0.14 0.00 -0.73 0.00 0.00 57.03 56.14 1rjj h ASP 68 Cb 0.10 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 38.33 1rjj h ASP 68 CO 0.00 0.76 -0.56 1.23 -1.03 0.00 0.00 179.24 179.63 1rjj h GLY 69 N 1.25 0.28 0.88 7.15 0.00 -1.65 -2.08 103.07 108.90 1rjj h GLY 69 Ca 0.36 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 1rjj h GLY 69 CO -0.09 0.30 -0.07 -1.82 0.00 0.00 0.00 176.54 174.86 1rjj h TYR 70 N 0.20 0.62 0.00 5.60 3.20 -1.36 -1.62 116.97 123.61 1rjj h TYR 70 Ca 0.00 -0.13 -0.10 0.00 3.14 0.00 0.00 58.73 61.64 1rjj h TYR 70 Cb 1.05 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 1rjj h TYR 70 CO 0.02 0.75 -0.48 -0.39 -1.64 0.00 0.00 178.16 176.42 1rjj h VAL 71 N 0.31 1.24 0.69 1.81 -1.51 -1.08 -3.04 116.25 114.67 1rjj h VAL 71 Ca 0.07 -1.71 -0.03 0.00 -1.23 0.00 0.00 66.70 63.80 1rjj h VAL 71 Cb 0.55 1.95 0.01 0.00 -2.13 0.00 0.00 31.29 31.66 1rjj h VAL 71 CO 0.03 0.47 -0.33 0.00 -1.23 0.00 0.00 177.57 176.51 1rjj h ALA 72 N 1.52 -1.00 -0.86 5.19 0.00 -1.12 0.47 119.26 123.47 1rjj h ALA 72 Ca -0.00 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 54.87 1rjj h ALA 72 Cb 0.91 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 1rjj h ALA 72 CO 0.06 -0.93 0.56 0.27 0.00 0.00 0.00 179.25 179.22 1rjj h PHE 73 N -1.16 0.61 0.00 0.00 -5.15 -1.33 -1.33 116.94 108.58 1rjj h PHE 73 Ca -0.10 0.02 -0.24 0.00 -0.20 0.00 0.00 57.97 57.45 1rjj h PHE 73 Cb 0.71 -0.19 -0.04 0.00 0.22 0.00 0.00 35.95 36.65 1rjj h PHE 73 CO 0.02 0.20 -1.30 0.00 -2.00 0.00 0.00 178.31 175.23 1rjj h THR 74 N 0.50 1.35 0.00 0.88 1.03 -1.49 -3.32 112.91 111.86 1rjj h THR 74 Ca 0.44 -3.12 -0.09 0.00 -0.01 0.00 0.00 66.41 63.63 1rjj h THR 74 Cb 0.95 2.67 -0.01 0.00 -1.07 0.00 0.00 68.15 70.69 1rjj h THR 74 CO -0.17 0.77 -0.41 0.77 -0.01 0.00 0.00 175.52 176.47 1rjj h SER 75 N 0.00 0.00 -3.21 0.00 4.64 0.25 -3.43 113.55 111.81 1rjj h SER 75 Ca -0.13 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.65 1rjj h SER 75 Cb 1.87 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.95 1rjj h SER 75 CO 0.11 0.41 0.58 -1.00 -0.87 0.00 0.00 176.83 176.05 1rjj s HIS 76 N -4.05 3.40 -0.26 4.77 3.76 -0.98 -4.85 115.29 117.07 1rjj s HIS 76 Ca -0.02 1.40 0.00 0.00 -0.15 0.00 0.00 55.06 56.28 1rjj s HIS 76 Cb 0.14 -3.32 0.00 0.00 1.11 0.00 0.00 32.58 30.51 1rjj s HIS 76 CO 0.72 -0.86 0.50 -2.30 -0.85 0.00 0.00 174.74 171.95 1rjj n PRO 77 N 4.59 0.00 0.20 8.40 -0.02 -1.26 -1.01 135.00 145.90 1rjj n PRO 77 Ca 0.09 0.08 0.06 0.00 -2.02 0.00 0.00 63.50 61.72 1rjj n PRO 77 Cb 0.48 -1.81 0.39 0.00 -0.02 0.00 0.00 33.50 32.54 1rjj n PRO 77 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1rjj h LEU 78 N 0.00 0.00 0.18 2.45 5.85 -1.88 -3.05 115.31 118.86 1rjj h LEU 78 Ca 0.00 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.46 1rjj h LEU 78 Cb 0.62 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.67 1rjj h LEU 78 CO 0.00 0.34 -1.16 -0.74 -0.34 0.00 0.00 178.44 176.53 1rjj h HIS 79 N 0.00 0.70 0.58 1.25 2.76 -1.23 -2.55 115.15 116.67 1rjj h HIS 79 Ca -0.00 -0.51 -0.03 0.00 -2.20 0.00 0.00 60.37 57.62 1rjj h HIS 79 Cb 0.80 -0.03 0.01 0.00 1.55 0.00 0.00 27.41 29.74 1rjj h HIS 79 CO 0.00 1.45 -0.28 -0.24 -1.30 0.00 0.00 177.93 177.56 1rjj h VAL 80 N -0.16 0.29 -0.75 5.26 3.04 -1.74 0.83 116.25 123.02 1rjj h VAL 80 Ca -0.21 -0.33 0.03 0.00 -1.01 0.00 0.00 66.70 65.18 1rjj h VAL 80 Cb 1.87 0.38 -0.04 0.00 -2.01 0.00 0.00 31.29 31.49 1rjj h VAL 80 CO 0.19 0.04 0.48 -0.33 -1.01 0.00 0.00 177.57 176.93 1rjj h GLU 81 N -1.03 0.91 -0.40 4.17 5.08 -1.70 -1.57 114.58 120.04 1rjj h GLU 81 Ca -0.08 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 1rjj h GLU 81 Cb 0.66 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1rjj h GLU 81 CO 0.13 0.60 -0.02 0.35 -1.00 0.00 0.00 179.01 179.08 1rjj h PHE 82 N 0.94 0.79 -0.33 4.33 3.57 -1.37 -2.83 116.94 122.03 1rjj h PHE 82 Ca 0.30 -0.14 0.01 0.00 3.53 0.00 0.00 57.97 61.66 1rjj h PHE 82 Cb -0.01 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 1rjj h PHE 82 CO -0.03 0.80 0.22 1.03 -2.23 0.00 0.00 178.31 178.10 1rjj h SER 83 N 0.54 0.37 0.33 0.41 0.87 0.12 0.94 113.55 117.14 1rjj h SER 83 Ca 0.11 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1rjj h SER 83 Cb 0.50 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1rjj h SER 83 CO 0.02 0.27 -0.16 0.00 -0.53 0.00 0.00 176.83 176.43 1rjj h ALA 84 N 1.79 -0.45 -0.15 6.23 0.00 -1.05 -2.55 119.26 123.08 1rjj h ALA 84 Ca 0.12 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1rjj h ALA 84 Cb -0.03 0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1rjj h ALA 84 CO -0.03 -0.71 -0.43 0.00 0.00 0.00 0.00 179.25 178.09 1rjj h ALA 85 N 0.09 0.26 -1.55 0.00 0.00 -1.39 -2.54 119.26 114.13 1rjj h ALA 85 Ca -0.05 -0.47 0.45 0.00 0.00 0.00 0.00 54.91 54.85 1rjj h ALA 85 Cb 0.41 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1rjj h ALA 85 CO 0.08 0.38 1.20 0.35 0.00 0.00 0.00 179.25 181.26 1rjj h PHE 86 N 0.20 0.00 0.00 0.00 3.57 0.99 0.22 116.94 121.92 1rjj h PHE 86 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1rjj h PHE 86 Cb 1.04 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1rjj h PHE 86 CO 0.10 0.00 -0.19 1.15 -2.23 0.00 0.00 178.31 177.14 1rjj h THR 87 N 0.00 0.00 -1.73 4.41 2.02 -1.11 -3.25 112.91 113.25 1rjj h THR 87 Ca 0.74 -0.85 0.50 0.00 0.77 0.00 0.00 66.41 67.57 1rjj h THR 87 Cb 3.14 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 69.48 1rjj h THR 87 CO -0.01 0.00 1.37 0.00 0.37 0.00 0.00 175.52 177.26 1rjj h ALA 88 N -1.15 3.64 -0.60 6.16 0.00 -0.39 2.95 119.26 129.88 1rjj h ALA 88 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1rjj h ALA 88 Cb 0.19 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1rjj h ALA 88 CO 0.00 -2.26 0.00 1.33 0.00 0.00 0.00 179.25 178.32 1rjj n VAL 89 N -3.75 1.41 -4.38 0.00 0.24 0.49 -4.93 118.33 107.42 1rjj n VAL 89 Ca 0.39 -1.00 -0.23 0.00 -2.04 0.00 0.00 64.34 61.46 1rjj n VAL 89 Cb 1.89 0.18 -0.11 0.00 -1.47 0.00 0.00 33.84 34.33 1rjj n VAL 89 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1rjj s ILE 90 N -1.62 2.04 -0.21 1.34 1.01 0.99 -4.52 121.20 120.22 1rjj s ILE 90 Ca 0.45 -2.04 0.08 0.00 0.00 0.00 0.00 60.65 59.14 1rjj s ILE 90 Cb 0.27 -2.00 -0.21 0.00 0.01 0.00 0.00 42.46 40.54 1rjj s ILE 90 CO 0.24 -0.30 -0.01 -0.67 0.00 0.00 0.00 174.94 174.20 1rjj n ASP 91 N 0.10 1.14 -3.79 3.58 2.03 0.74 -4.74 116.55 115.61 1rjj n ASP 91 Ca -0.11 -0.02 -0.13 0.00 0.52 0.00 0.00 54.79 55.05 1rjj n ASP 91 Cb 0.57 0.14 -0.10 0.00 -0.72 0.00 0.00 41.12 41.01 1rjj n ASP 91 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1rjj s LYS 92 N -2.52 0.49 -0.11 -0.67 -2.85 -1.23 -4.94 119.74 107.92 1rjj s LYS 92 Ca -0.22 -0.02 0.02 0.00 -1.00 0.00 0.00 55.97 54.75 1rjj s LYS 92 Cb 0.08 0.22 0.01 0.00 -2.06 0.00 0.00 37.83 36.08 1rjj s LYS 92 CO 0.72 -0.11 -0.16 -1.50 0.10 0.00 0.00 175.35 174.40 1rjj s ILE 93 N -0.76 1.54 -0.03 3.79 1.10 -1.26 -3.52 121.20 122.06 1rjj s ILE 93 Ca -0.09 -0.68 0.02 0.00 -0.51 0.00 0.00 60.65 59.40 1rjj s ILE 93 Cb -0.04 -1.40 0.00 0.00 0.15 0.00 0.00 42.46 41.17 1rjj s ILE 93 CO 0.02 0.45 -0.09 -0.69 -2.11 0.00 0.00 174.94 172.52 1rjj s VAL 94 N 0.89 0.80 -0.01 4.00 1.01 -1.01 -4.99 120.40 121.08 1rjj s VAL 94 Ca -0.08 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1rjj s VAL 94 Cb -0.15 -0.71 0.01 0.00 0.00 0.00 0.00 36.38 35.53 1rjj s VAL 94 CO -0.00 0.25 0.00 -0.76 0.00 0.00 0.00 175.10 174.59 1rjj s LEU 95 N 0.23 1.56 -0.22 3.92 1.02 -1.26 -0.83 118.68 123.10 1rjj s LEU 95 Ca -0.04 -0.01 -0.03 0.00 0.02 0.00 0.00 54.13 54.08 1rjj s LEU 95 Cb -0.09 -0.10 0.00 0.00 0.02 0.00 0.00 46.19 46.02 1rjj s LEU 95 CO 0.01 -0.05 -0.07 -0.76 0.02 0.00 0.00 176.35 175.49 1rjj s LEU 96 N 0.51 2.83 -0.07 1.79 1.02 -0.14 -4.93 118.68 119.68 1rjj s LEU 96 Ca -0.05 -0.53 0.03 0.00 0.02 0.00 0.00 54.13 53.61 1rjj s LEU 96 Cb -0.07 -1.68 0.01 0.00 0.02 0.00 0.00 46.19 44.47 1rjj s LEU 96 CO -0.01 -0.04 -0.15 -0.62 0.02 0.00 0.00 176.35 175.54 1rjj s ASP 97 N 1.42 2.13 -0.29 2.29 2.15 -1.26 -1.93 116.67 121.18 1rjj s ASP 97 Ca 0.05 -0.37 -0.25 0.00 0.43 0.00 0.00 52.55 52.41 1rjj s ASP 97 Cb -0.14 -0.96 0.15 0.00 -0.30 0.00 0.00 42.92 41.66 1rjj s ASP 97 CO -0.05 0.07 1.19 0.12 -0.17 0.00 0.00 175.17 176.33 1rjj s PHE 98 N 0.55 -0.32 -0.24 -5.34 5.36 -1.16 -5.05 117.98 111.79 1rjj s PHE 98 Ca -0.15 0.77 -0.40 0.00 -0.96 0.00 0.00 56.93 56.19 1rjj s PHE 98 Cb -0.16 0.41 -0.16 0.00 -0.34 0.00 0.00 43.02 42.77 1rjj s PHE 98 CO 0.05 -0.15 1.69 -2.30 -1.46 0.00 0.00 175.22 173.05 1rjj n PRO 99 N 1.97 1.14 -4.50 10.12 -0.02 -1.26 -3.55 135.00 138.89 1rjj n PRO 99 Ca -0.12 0.42 -0.34 0.00 -2.02 0.00 0.00 63.50 61.44 1rjj n PRO 99 Cb 0.56 -2.09 -0.11 0.00 -0.02 0.00 0.00 33.50 31.84 1rjj n PRO 99 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1rjj s VAL 100 N 3.16 3.94 -0.25 -1.45 1.01 -1.01 -4.45 120.40 121.34 1rjj s VAL 100 Ca 0.97 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.57 1rjj s VAL 100 Cb -1.06 -2.65 0.07 0.00 0.00 0.00 0.00 36.38 32.74 1rjj s VAL 100 CO 0.64 0.58 -0.02 0.00 0.00 0.00 0.00 175.10 176.30 1rjj s ALA 101 N -0.62 1.98 -0.04 5.51 0.00 -1.26 -3.25 121.76 124.08 1rjj s ALA 101 Ca 0.10 -1.51 -0.23 0.00 0.00 0.00 0.00 51.96 50.32 1rjj s ALA 101 Cb -0.12 -1.51 0.05 0.00 0.00 0.00 0.00 23.12 21.54 1rjj s ALA 101 CO 0.02 -1.31 0.50 0.00 0.00 0.00 0.00 175.76 174.97 1rjj s ALA 102 N 1.38 -1.29 -0.07 0.00 0.00 -1.26 -5.06 121.76 115.47 1rjj s ALA 102 Ca -0.02 0.86 -0.22 0.00 0.00 0.00 0.00 51.96 52.58 1rjj s ALA 102 Cb -0.19 0.00 0.05 0.00 0.00 0.00 0.00 23.12 22.99 1rjj s ALA 102 CO -0.09 -0.31 0.51 0.14 0.00 0.00 0.00 175.76 176.01 1rjj s VAL 103 N -1.20 0.02 -0.49 0.00 -7.23 -1.26 -4.89 120.40 105.34 1rjj s VAL 103 Ca -0.12 -0.18 0.08 0.00 -1.81 0.00 0.00 61.98 59.95 1rjj s VAL 103 Cb -0.03 -0.80 0.29 0.00 0.56 0.00 0.00 36.38 36.41 1rjj s VAL 103 CO 0.07 -0.10 0.72 0.29 -0.31 0.00 0.00 175.10 175.77 1rjj n LYS 104 N 1.48 1.80 0.17 4.82 4.01 -1.26 -4.89 118.16 124.29 1rjj n LYS 104 Ca -0.19 -4.00 0.18 0.00 -0.51 0.00 0.00 58.31 53.79 1rjj n LYS 104 Cb 0.56 -1.83 0.72 0.00 -0.51 0.00 0.00 35.03 33.98 1rjj n LYS 104 CO 0.00 0.00 0.00 0.77 -1.11 0.00 0.00 177.40 177.06 1rjj h SER 105 N 3.62 0.00 -3.99 4.39 0.02 -2.01 -3.47 113.55 112.10 1rjj h SER 105 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1rjj h SER 105 Cb 0.76 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1rjj h SER 105 CO 0.65 0.00 -0.19 -1.54 -1.14 0.00 0.00 176.83 174.61 1rjj n SER 106 N -3.33 -2.12 -3.40 3.07 3.41 -1.26 -4.91 113.62 105.08 1rjj n SER 106 Ca 0.05 0.31 -0.14 0.00 -0.26 0.00 0.00 58.87 58.83 1rjj n SER 106 Cb 0.61 -0.20 0.01 0.00 -0.26 0.00 0.00 64.21 64.37 1rjj n SER 106 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1rjj n VAL 107 N -1.35 -7.36 -2.40 -3.33 0.31 -1.26 -4.93 118.33 98.02 1rjj n VAL 107 Ca 0.00 -0.37 0.01 0.00 -0.01 0.00 0.00 64.34 63.97 1rjj n VAL 107 Cb 0.05 -5.28 0.00 0.00 -0.91 0.00 0.00 33.84 27.69 1rjj n VAL 107 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1rjj n VAL 108 N -2.54 0.06 -0.77 2.52 3.14 -1.26 -5.11 118.33 114.38 1rjj n VAL 108 Ca -0.12 -0.85 -0.33 0.00 -2.96 0.00 0.00 64.34 60.09 1rjj n VAL 108 Cb 0.58 0.89 0.13 0.00 -1.06 0.00 0.00 33.84 34.39 1rjj n VAL 108 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1rjj n ALA 109 N 0.29 -2.62 -1.68 1.55 0.00 -1.26 -4.90 120.51 111.89 1rjj n ALA 109 Ca -0.03 -0.68 -0.34 0.00 0.00 0.00 0.00 53.44 52.39 1rjj n ALA 109 Cb 1.02 -1.81 0.02 0.00 0.00 0.00 0.00 19.45 18.68 1rjj n ALA 109 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1rjj s THR 110 N -2.40 3.27 0.00 0.00 -1.32 -1.26 -5.25 115.64 108.69 1rjj s THR 110 Ca 0.58 0.71 0.00 0.00 -1.21 0.00 0.00 61.69 61.77 1rjj s THR 110 Cb -0.20 -3.24 0.00 0.00 -1.51 0.00 0.00 72.50 67.54 1rjj s THR 110 CO 0.67 -0.25 0.00 -2.65 -2.21 0.00 0.00 174.62 170.17