#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 0.10 0.00 3.04 0.00 -1.26 -4.54 120.51 117.85 1rjj n ALA 2 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1rjj n ALA 2 Cb 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 17.56 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 5.78 0.00 0.00 0.00 5.66 -1.26 -5.09 114.28 119.37 1rjj n THR 3 Ca 0.49 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.49 1rjj n THR 3 Cb -0.04 -0.28 0.00 0.00 -1.55 0.00 0.00 70.33 68.46 1rjj n THR 3 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1rjj n SER 4 N -2.41 0.00 -4.65 1.09 7.64 -1.23 -5.07 113.62 108.99 1rjj n SER 4 Ca 0.00 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.63 1rjj n SER 4 Cb 0.00 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.31 1rjj n SER 4 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1rjj s GLY 5 N 0.00 1.75 -0.02 0.23 0.00 -0.85 -3.94 107.32 104.50 1rjj s GLY 5 Ca 0.00 -1.36 0.01 0.00 0.00 0.00 0.00 44.72 43.37 1rjj s GLY 5 CO 0.00 -0.82 -0.03 -0.12 0.00 0.00 0.00 173.10 172.13 1rjj s PHE 6 N -3.30 0.46 -0.22 1.90 2.19 0.26 -0.88 117.98 118.38 1rjj s PHE 6 Ca 0.65 -0.08 -0.10 0.00 0.33 0.00 0.00 56.93 57.73 1rjj s PHE 6 Cb -0.07 -0.39 -0.05 0.00 -1.31 0.00 0.00 43.02 41.20 1rjj s PHE 6 CO 0.46 -0.08 0.15 0.21 1.83 0.00 0.00 175.22 177.79 1rjj s LYS 7 N 0.42 4.12 -0.15 10.12 2.20 -0.58 0.03 119.74 135.90 1rjj s LYS 7 Ca -0.04 -0.25 0.01 0.00 -0.36 0.00 0.00 55.97 55.33 1rjj s LYS 7 Cb -0.08 -3.49 0.02 0.00 -1.51 0.00 0.00 37.83 32.77 1rjj s LYS 7 CO -0.00 0.15 -0.17 -1.58 -0.36 0.00 0.00 175.35 173.39 1rjj s HIS 8 N 0.78 2.40 0.02 4.03 5.65 0.56 -1.99 115.29 126.74 1rjj s HIS 8 Ca 0.08 -1.34 0.02 0.00 0.25 0.00 0.00 55.06 54.07 1rjj s HIS 8 Cb -0.13 -1.71 -0.01 0.00 -1.18 0.00 0.00 32.58 29.55 1rjj s HIS 8 CO 0.02 -0.69 -0.07 -1.17 -0.65 0.00 0.00 174.74 172.18 1rjj s LEU 9 N 1.29 2.11 -0.04 8.88 0.20 -1.04 0.20 118.68 130.27 1rjj s LEU 9 Ca 0.02 -0.30 0.04 0.00 0.69 0.00 0.00 54.13 54.58 1rjj s LEU 9 Cb -0.13 -0.29 0.00 0.00 -0.43 0.00 0.00 46.19 45.34 1rjj s LEU 9 CO -0.09 -0.03 -0.15 0.54 -0.29 0.00 0.00 176.35 176.33 1rjj s VAL 10 N -0.65 1.26 -0.13 1.68 0.11 -1.07 -1.39 120.40 120.20 1rjj s VAL 10 Ca -0.02 -0.61 0.01 0.00 -2.93 0.00 0.00 61.98 58.43 1rjj s VAL 10 Cb -0.06 -1.10 -0.01 0.00 -1.53 0.00 0.00 36.38 33.69 1rjj s VAL 10 CO 0.00 0.37 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.29 1rjj s VAL 11 N 0.19 2.64 0.06 2.04 1.01 0.11 -2.35 120.40 124.10 1rjj s VAL 11 Ca -0.06 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 1rjj s VAL 11 Cb -0.12 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1rjj s VAL 11 CO 0.02 0.53 0.02 0.68 0.00 0.00 0.00 175.10 176.35 1rjj s VAL 12 N 0.56 0.20 0.12 2.92 -7.23 -1.06 -1.54 120.40 114.37 1rjj s VAL 12 Ca -0.10 -1.66 0.05 0.00 -1.81 0.00 0.00 61.98 58.46 1rjj s VAL 12 Cb -0.16 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 35.27 1rjj s VAL 12 CO 0.04 -0.92 -0.13 -0.54 -0.31 0.00 0.00 175.10 173.24 1rjj s LYS 13 N -3.89 0.98 0.16 4.82 1.02 -1.18 -3.12 119.74 118.53 1rjj s LYS 13 Ca 0.06 -1.23 0.07 0.00 0.02 0.00 0.00 55.97 54.89 1rjj s LYS 13 Cb 0.07 -0.79 -0.04 0.00 -0.52 0.00 0.00 37.83 36.55 1rjj s LYS 13 CO -0.10 0.14 -0.02 -0.59 -0.92 0.00 0.00 175.35 173.86 1rjj s PHE 14 N -2.30 2.83 0.00 3.18 -0.12 -1.26 -2.26 117.98 118.06 1rjj s PHE 14 Ca 0.09 -0.13 0.00 0.00 -0.05 0.00 0.00 56.93 56.83 1rjj s PHE 14 Cb -0.04 -1.39 0.00 0.00 -0.63 0.00 0.00 43.02 40.96 1rjj s PHE 14 CO 0.02 0.50 0.00 0.36 -0.05 0.00 0.00 175.22 176.06 1rjj n LYS 15 N 0.04 3.08 -0.09 1.99 -0.00 -1.26 -4.83 118.16 117.09 1rjj n LYS 15 Ca -0.10 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.09 1rjj n LYS 15 Cb 0.55 -0.70 -0.05 0.00 -0.00 0.00 0.00 35.03 34.82 1rjj n LYS 15 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1rjj n GLU 16 N -0.72 0.50 0.00 -1.58 0.00 -1.26 -5.00 120.64 112.59 1rjj n GLU 16 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 57.16 57.62 1rjj n GLU 16 Cb 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 31.44 29.80 1rjj n GLU 16 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1rjj n ASP 17 N -4.52 0.00 -4.46 4.31 8.00 -1.26 -5.09 116.55 113.53 1rjj n ASP 17 Ca -0.18 0.00 -0.46 0.00 0.71 0.00 0.00 54.79 54.86 1rjj n ASP 17 Cb 0.46 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.47 1rjj n ASP 17 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1rjj n THR 18 N 0.00 0.06 -2.12 -3.53 -1.04 -1.26 -4.79 114.28 101.60 1rjj n THR 18 Ca 0.00 -0.29 -0.29 0.00 -2.04 0.00 0.00 64.05 61.43 1rjj n THR 18 Cb 0.00 -1.49 -0.05 0.00 -1.82 0.00 0.00 70.33 66.97 1rjj n THR 18 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1rjj s LYS 19 N 7.38 2.67 0.18 -2.82 3.01 -1.26 -4.73 119.74 124.17 1rjj s LYS 19 Ca 1.15 -0.79 -0.10 0.00 -1.01 0.00 0.00 55.97 55.22 1rjj s LYS 19 Cb -0.87 -5.18 0.08 0.00 -1.01 0.00 0.00 37.83 30.84 1rjj s LYS 19 CO 0.46 -3.49 1.68 -0.39 0.51 0.00 0.00 175.35 174.11 1rjj h VAL 20 N 6.70 1.26 -0.21 3.17 -1.51 -1.97 0.10 116.25 123.79 1rjj h VAL 20 Ca 0.17 -0.98 -0.04 0.00 -1.23 0.00 0.00 66.70 64.63 1rjj h VAL 20 Cb 0.97 0.69 -0.01 0.00 -2.13 0.00 0.00 31.29 30.81 1rjj h VAL 20 CO 1.24 0.36 -0.01 -2.24 -1.23 0.00 0.00 177.57 175.70 1rjj h ASP 21 N 0.93 0.37 0.28 4.19 2.03 -1.97 2.22 116.42 124.47 1rjj h ASP 21 Ca 0.19 -0.32 -0.07 0.00 -0.73 0.00 0.00 57.03 56.10 1rjj h ASP 21 Cb 0.40 -0.10 -0.01 0.00 -0.83 0.00 0.00 39.33 38.79 1rjj h ASP 21 CO 0.01 0.60 -0.30 -0.33 -1.03 0.00 0.00 179.24 178.19 1rjj h GLU 22 N 0.12 0.03 -0.18 4.15 3.07 -1.94 0.18 114.58 120.00 1rjj h GLU 22 Ca 0.06 -0.01 -0.17 0.00 -0.50 0.00 0.00 59.36 58.74 1rjj h GLU 22 Cb 0.42 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1rjj h GLU 22 CO 0.01 0.33 -0.55 0.82 -1.40 0.00 0.00 179.01 178.22 1rjj h ILE 23 N 0.03 1.31 -0.92 3.13 2.04 -0.43 -2.80 117.51 119.87 1rjj h ILE 23 Ca 0.00 -1.78 0.09 0.00 1.00 0.00 0.00 64.86 64.17 1rjj h ILE 23 Cb 0.54 1.93 -0.07 0.00 -0.74 0.00 0.00 36.82 38.48 1rjj h ILE 23 CO 0.04 0.56 0.59 0.25 0.00 0.00 0.00 178.15 179.59 1rjj h LEU 24 N 0.39 0.86 -1.30 1.44 5.85 0.49 0.52 115.31 123.56 1rjj h LEU 24 Ca -0.02 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1rjj h LEU 24 Cb 1.17 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1rjj h LEU 24 CO 0.12 0.51 0.02 0.50 -0.34 0.00 0.00 178.44 179.24 1rjj h LYS 25 N 0.95 0.48 0.20 1.25 3.64 -0.80 -1.36 116.57 120.93 1rjj h LYS 25 Ca 0.42 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.70 1rjj h LYS 25 Cb 0.37 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1rjj h LYS 25 CO -0.18 0.50 -0.10 0.78 -2.27 0.00 0.00 179.45 178.18 1rjj h GLY 26 N 0.78 -0.28 -0.51 5.01 0.00 0.10 -2.89 103.07 105.29 1rjj h GLY 26 Ca 0.10 0.10 0.27 0.00 0.00 0.00 0.00 47.33 47.81 1rjj h GLY 26 CO 0.01 -0.10 0.37 -2.00 0.00 0.00 0.00 176.54 174.81 1rjj h LEU 27 N -0.68 0.20 -0.83 3.11 7.12 -0.01 2.00 115.31 126.23 1rjj h LEU 27 Ca -0.03 0.20 0.13 0.00 0.13 0.00 0.00 57.88 58.31 1rjj h LEU 27 Cb 0.48 0.22 -0.09 0.00 -0.53 0.00 0.00 40.66 40.74 1rjj h LEU 27 CO 0.04 -0.16 0.44 -0.33 -0.13 0.00 0.00 178.44 178.30 1rjj h GLU 28 N 0.25 0.64 -0.51 1.25 4.39 -1.06 0.44 114.58 119.98 1rjj h GLU 28 Ca 0.63 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 60.32 1rjj h GLU 28 Cb 1.36 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.83 1rjj h GLU 28 CO -0.65 0.43 0.31 -2.95 -1.16 0.00 0.00 179.01 174.99 1rjj h ASN 29 N 0.66 0.51 -0.77 1.42 7.08 0.33 -1.00 115.58 123.81 1rjj h ASN 29 Ca 0.43 0.00 0.17 0.00 -3.08 0.00 0.00 56.30 53.82 1rjj h ASN 29 Cb 0.55 -0.11 -0.11 0.00 -2.08 0.00 0.00 38.32 36.57 1rjj h ASN 29 CO -0.32 0.36 0.22 0.25 -2.08 0.00 0.00 177.43 175.86 1rjj h LEU 30 N 0.62 0.09 -2.69 6.14 7.12 0.12 1.73 115.31 128.43 1rjj h LEU 30 Ca 0.21 0.14 0.00 0.00 0.13 0.00 0.00 57.88 58.36 1rjj h LEU 30 Cb 0.01 0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 40.32 1rjj h LEU 30 CO -0.09 -0.02 0.10 0.58 -0.13 0.00 0.00 178.44 178.88 1rjj h VAL 31 N 0.31 0.02 -1.10 1.05 2.07 0.21 -1.99 116.25 116.82 1rjj h VAL 31 Ca 0.44 0.00 0.36 0.00 0.82 0.00 0.00 66.70 68.32 1rjj h VAL 31 Cb 0.76 0.90 -0.14 0.00 -1.52 0.00 0.00 31.29 31.29 1rjj h VAL 31 CO -0.50 0.00 0.67 -1.28 0.02 0.00 0.00 177.57 176.47 1rjj h SER 32 N 0.00 0.40 0.66 0.57 0.87 0.28 1.83 113.55 118.17 1rjj h SER 32 Ca 0.00 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1rjj h SER 32 Cb 0.20 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1rjj h SER 32 CO -0.00 -0.15 -0.41 0.00 -0.53 0.00 0.00 176.83 175.74 1rjj n GLN 33 N -4.91 0.04 -0.29 2.24 -0.00 -0.75 -3.89 117.38 109.83 1rjj n GLN 33 Ca 0.33 0.01 0.01 0.00 -0.00 0.00 0.00 57.00 57.35 1rjj n GLN 33 Cb 1.14 -1.53 0.11 0.00 -0.00 0.00 0.00 30.24 29.96 1rjj n GLN 33 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1rjj n ILE 34 N -1.59 0.98 0.00 -0.39 2.08 0.62 -3.95 119.36 117.10 1rjj n ILE 34 Ca 0.05 -0.45 0.00 0.00 0.56 0.00 0.00 62.75 62.91 1rjj n ILE 34 Cb 0.35 -0.50 0.00 0.00 -0.75 0.00 0.00 39.64 38.74 1rjj n ILE 34 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1rjj n ASP 35 N 0.16 0.00 -0.01 4.38 5.68 -1.22 0.18 116.55 125.73 1rjj n ASP 35 Ca 0.10 0.45 0.16 0.00 -0.50 0.00 0.00 54.79 54.99 1rjj n ASP 35 Cb 0.59 -0.45 0.91 0.00 -1.14 0.00 0.00 41.12 41.03 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 -1.44 0.00 -3.25 2.12 5.66 -1.25 -4.87 114.28 111.24 1rjj n THR 36 Ca 0.00 -0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.81 1rjj n THR 36 Cb 0.03 -0.48 -0.05 0.00 -1.55 0.00 0.00 70.33 68.28 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 -1.03 -0.26 -2.06 1.08 0.24 0.49 -4.68 118.33 112.11 1rjj n VAL 37 Ca 0.22 -0.13 -0.22 0.00 -2.04 0.00 0.00 64.34 62.17 1rjj n VAL 37 Cb 0.14 -0.39 0.02 0.00 -1.47 0.00 0.00 33.84 32.15 1rjj n VAL 37 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1rjj n LYS 38 N -2.59 3.50 -3.94 7.34 2.85 -1.26 -5.03 118.16 119.02 1rjj n LYS 38 Ca -0.06 -4.12 0.00 0.00 -1.05 0.00 0.00 58.31 53.08 1rjj n LYS 38 Cb 0.30 -2.24 0.01 0.00 -0.65 0.00 0.00 35.03 32.45 1rjj n LYS 38 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1rjj s SER 39 N -3.60 0.00 0.04 -5.58 0.01 -1.26 -0.30 113.70 103.01 1rjj s SER 39 Ca 0.50 -0.39 -0.08 0.00 1.31 0.00 0.00 55.95 57.29 1rjj s SER 39 Cb 0.40 0.28 -0.00 0.00 0.21 0.00 0.00 66.02 66.92 1rjj s SER 39 CO 0.03 -0.57 0.16 -0.36 0.41 0.00 0.00 173.24 172.92 1rjj s PHE 40 N -2.09 0.11 -0.22 2.43 0.08 0.24 -4.94 117.98 113.59 1rjj s PHE 40 Ca 0.26 -0.36 -0.09 0.00 0.12 0.00 0.00 56.93 56.86 1rjj s PHE 40 Cb -0.01 -0.07 0.09 0.00 -0.57 0.00 0.00 43.02 42.46 1rjj s PHE 40 CO 0.02 -0.40 0.50 -1.21 -0.10 0.00 0.00 175.22 174.02 1rjj s GLU 41 N -2.56 0.44 0.31 0.44 2.02 -1.24 -1.07 118.70 117.04 1rjj s GLU 41 Ca -0.05 1.10 0.04 0.00 0.02 0.00 0.00 54.97 56.07 1rjj s GLU 41 Cb -0.01 0.35 -0.04 0.00 0.10 0.00 0.00 34.13 34.54 1rjj s GLU 41 CO -0.04 -0.21 0.17 -0.46 0.02 0.00 0.00 175.26 174.74 1rjj s TRP 42 N 2.31 1.62 0.15 1.61 -0.11 -1.12 -4.95 118.94 118.45 1rjj s TRP 42 Ca -0.05 -1.39 0.04 0.00 1.22 0.00 0.00 56.10 55.91 1rjj s TRP 42 Cb -0.10 -0.86 -0.04 0.00 -1.50 0.00 0.00 33.47 30.96 1rjj s TRP 42 CO -0.15 -0.54 -0.08 0.20 -4.62 0.00 0.00 176.95 171.76 1rjj s GLY 43 N -3.39 1.10 -0.12 5.86 0.00 -1.26 -1.94 107.32 107.57 1rjj s GLY 43 Ca 0.35 -1.51 -0.11 0.00 0.00 0.00 0.00 44.72 43.45 1rjj s GLY 43 CO 0.18 -1.58 0.32 -0.54 0.00 0.00 0.00 173.10 171.48 1rjj s GLU 44 N -3.78 0.37 0.06 2.90 8.01 -0.95 -4.96 118.70 120.35 1rjj s GLU 44 Ca 0.18 0.45 0.06 0.00 0.01 0.00 0.00 54.97 55.67 1rjj s GLU 44 Cb 0.03 0.17 -0.04 0.00 -4.31 0.00 0.00 34.13 29.99 1rjj s GLU 44 CO 0.01 -0.05 -0.12 -0.51 0.01 0.00 0.00 175.26 174.60 1rjj s ASP 45 N 0.21 4.22 -1.11 -0.19 1.01 -1.26 -1.03 116.67 118.51 1rjj s ASP 45 Ca -0.00 -0.36 -0.25 0.00 0.71 0.00 0.00 52.55 52.65 1rjj s ASP 45 Cb -0.02 -0.80 -0.15 0.00 1.01 0.00 0.00 42.92 42.96 1rjj s ASP 45 CO 0.00 0.23 2.03 -1.59 0.21 0.00 0.00 175.17 176.05 1rjj s LYS 46 N -1.77 1.90 -0.55 8.23 0.00 -0.67 -4.67 119.74 122.20 1rjj s LYS 46 Ca 0.18 -0.75 0.06 0.00 0.00 0.00 0.00 55.97 55.46 1rjj s LYS 46 Cb -0.11 -5.10 0.35 0.00 0.00 0.00 0.00 37.83 32.96 1rjj s LYS 46 CO 0.09 -4.63 0.94 0.39 0.00 0.00 0.00 175.35 172.14 1rjj n GLU 47 N 8.28 3.03 -2.79 1.78 1.02 -1.26 -4.87 120.64 125.83 1rjj n GLU 47 Ca 0.43 -4.69 -0.08 0.00 -0.02 0.00 0.00 57.16 52.80 1rjj n GLU 47 Cb 0.47 -2.18 0.03 0.00 -0.02 0.00 0.00 31.44 29.73 1rjj n GLU 47 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1rjj n SER 48 N -0.21 -2.87 -1.89 1.62 3.41 -1.26 -4.99 113.62 107.42 1rjj n SER 48 Ca 0.31 -3.13 0.00 0.00 -0.26 0.00 0.00 58.87 55.78 1rjj n SER 48 Cb 0.44 1.63 0.00 0.00 -0.26 0.00 0.00 64.21 66.02 1rjj n SER 48 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1rjj n HIS 49 N 2.07 -3.68 -0.46 7.33 8.25 -1.26 0.33 115.22 127.79 1rjj n HIS 49 Ca 0.13 2.07 0.40 0.00 -0.26 0.00 0.00 57.72 60.06 1rjj n HIS 49 Cb 0.60 -2.86 0.74 0.00 1.12 0.00 0.00 29.99 29.59 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 3.45 0.08 0.82 0.41 3.32 -1.95 0.79 116.42 123.34 1rjj h ASP 50 Ca 0.00 0.03 -0.19 0.00 0.02 0.00 0.00 57.03 56.89 1rjj h ASP 50 Cb 0.00 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1rjj h ASP 50 CO 0.00 -0.02 -0.91 0.00 -1.72 0.00 0.00 179.24 176.59 1rjj h MET 51 N 0.05 0.05 0.00 3.56 -0.00 -1.99 -2.92 114.93 113.69 1rjj h MET 51 Ca 0.72 -0.07 -0.27 0.00 -0.00 0.00 0.00 59.70 60.08 1rjj h MET 51 Cb 2.72 0.02 -0.05 0.00 -0.00 0.00 0.00 31.60 34.29 1rjj h MET 51 CO -0.10 0.92 -2.26 1.28 -0.00 0.00 0.00 176.91 176.75 1rjj n LEU 52 N -3.52 0.00 -0.25 -0.10 4.77 0.13 -4.28 117.00 113.75 1rjj n LEU 52 Ca -0.01 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.11 1rjj n LEU 52 Cb 0.85 0.37 0.58 0.00 -2.33 0.00 0.00 43.42 42.89 1rjj n LEU 52 CO 0.46 0.37 0.86 -2.11 -1.33 0.00 0.00 177.39 175.64 1rjj n ARG 53 N -2.61 1.11 -0.76 3.23 1.85 0.23 -4.88 116.66 114.82 1rjj n ARG 53 Ca -0.25 -0.51 -0.04 0.00 -1.00 0.00 0.00 57.85 56.05 1rjj n ARG 53 Cb 1.00 -1.49 -0.02 0.00 -1.05 0.00 0.00 32.46 30.91 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 -0.50 -1.71 -0.30 2.89 1.13 -1.10 -2.44 117.38 115.34 1rjj n GLN 54 Ca 0.17 0.36 0.00 0.00 -1.94 0.00 0.00 57.00 55.59 1rjj n GLN 54 Cb 0.29 -4.06 0.00 0.00 0.11 0.00 0.00 30.24 26.59 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 0.22 0.00 3.68 1.08 0.00 -1.26 -4.88 105.19 104.03 1rjj n GLY 55 Ca -0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.53 1rjj n GLY 55 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1rjj n PHE 56 N -1.60 2.43 -0.24 1.61 1.16 -1.02 -4.79 117.46 115.00 1rjj n PHE 56 Ca 0.00 -0.03 0.02 0.00 -1.87 0.00 0.00 57.45 55.57 1rjj n PHE 56 Cb 0.00 -2.67 0.14 0.00 -1.61 0.00 0.00 39.48 35.34 1rjj n PHE 56 CO 0.00 0.00 0.00 1.79 -1.87 0.00 0.00 176.76 176.68 1rjj h THR 57 N 4.79 0.82 -1.73 1.97 1.35 -1.88 -1.79 112.91 116.43 1rjj h THR 57 Ca -0.47 -0.20 0.13 0.00 -0.55 0.00 0.00 66.41 65.33 1rjj h THR 57 Cb 1.25 0.20 -0.20 0.00 -1.73 0.00 0.00 68.15 67.66 1rjj h THR 57 CO 0.93 0.10 0.61 -1.38 -0.25 0.00 0.00 175.52 175.54 1rjj s HIS 58 N -6.05 -0.29 0.21 4.73 -3.43 -1.18 -3.06 115.29 106.21 1rjj s HIS 58 Ca -0.13 0.36 -0.05 0.00 -0.80 0.00 0.00 55.06 54.44 1rjj s HIS 58 Cb 0.18 0.49 -0.03 0.00 -1.43 0.00 0.00 32.58 31.80 1rjj s HIS 58 CO 0.76 -0.36 0.24 0.00 -2.00 0.00 0.00 174.74 173.39 1rjj s ALA 59 N -1.96 0.65 -0.08 -1.38 0.00 -0.20 -2.55 121.76 116.25 1rjj s ALA 59 Ca 0.03 -1.39 0.01 0.00 0.00 0.00 0.00 51.96 50.61 1rjj s ALA 59 Cb -0.01 1.23 0.02 0.00 0.00 0.00 0.00 23.12 24.37 1rjj s ALA 59 CO -0.03 -0.67 -0.09 -0.06 0.00 0.00 0.00 175.76 174.90 1rjj s PHE 60 N -4.10 1.35 -0.69 0.00 0.08 -0.99 -2.24 117.98 111.39 1rjj s PHE 60 Ca 0.32 -0.54 -0.17 0.00 0.12 0.00 0.00 56.93 56.65 1rjj s PHE 60 Cb 0.04 -1.05 0.14 0.00 -0.57 0.00 0.00 43.02 41.58 1rjj s PHE 60 CO 0.10 -0.34 0.75 -1.12 -0.10 0.00 0.00 175.22 174.51 1rjj s SER 61 N 1.04 6.38 -0.28 1.36 0.01 -0.82 -2.61 113.70 118.78 1rjj s SER 61 Ca -0.08 -1.88 -0.10 0.00 1.31 0.00 0.00 55.95 55.20 1rjj s SER 61 Cb -0.15 -2.28 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 1rjj s SER 61 CO -0.01 -0.94 0.16 -0.04 0.41 0.00 0.00 173.24 172.83 1rjj s MET 62 N 1.92 3.78 0.05 12.44 -1.94 0.13 -2.80 119.30 132.86 1rjj s MET 62 Ca 0.15 -0.43 0.07 0.00 -1.71 0.00 0.00 55.69 53.77 1rjj s MET 62 Cb -0.19 -3.59 -0.02 0.00 2.01 0.00 0.00 34.83 33.04 1rjj s MET 62 CO -0.00 -0.23 -0.19 0.99 -0.01 0.00 0.00 175.02 175.57 1rjj s THR 63 N 1.71 1.57 0.31 2.05 2.01 -0.23 0.21 115.64 123.27 1rjj s THR 63 Ca 0.07 -1.18 0.09 0.00 0.31 0.00 0.00 61.69 60.98 1rjj s THR 63 Cb -0.16 -1.37 -0.06 0.00 0.01 0.00 0.00 72.50 70.92 1rjj s THR 63 CO 0.09 0.15 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.70 1rjj s PHE 64 N -0.83 2.25 0.02 4.92 0.40 0.10 0.83 117.98 125.68 1rjj s PHE 64 Ca 0.06 -0.51 0.08 0.00 -0.60 0.00 0.00 56.93 55.96 1rjj s PHE 64 Cb -0.09 -1.22 -0.23 0.00 0.51 0.00 0.00 43.02 42.00 1rjj s PHE 64 CO 0.02 0.53 0.92 1.49 0.70 0.00 0.00 175.22 178.88 1rjj h GLU 65 N 2.15 0.04 -3.17 0.44 4.81 -0.94 0.75 114.58 118.66 1rjj h GLU 65 Ca -0.41 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1rjj h GLU 65 Cb 1.25 0.02 -0.10 0.00 0.63 0.00 0.00 28.75 30.55 1rjj h GLU 65 CO 0.67 0.78 0.11 1.21 -0.73 0.00 0.00 179.01 181.05 1rjj s ASN 66 N -6.46 -0.35 0.61 1.04 2.47 -1.25 -3.26 114.94 107.74 1rjj s ASN 66 Ca -0.03 -0.36 0.31 0.00 0.42 0.00 0.00 52.86 53.20 1rjj s ASN 66 Cb 0.09 0.61 1.80 0.00 -1.45 0.00 0.00 41.25 42.29 1rjj s ASN 66 CO 0.83 -1.07 2.16 0.07 -3.72 0.00 0.00 177.10 175.36 1rjj h LYS 67 N 2.11 0.00 -1.01 0.43 2.10 -1.92 -2.37 116.57 115.92 1rjj h LYS 67 Ca -0.29 0.00 0.07 0.00 -2.00 0.00 0.00 60.65 58.43 1rjj h LYS 67 Cb 1.27 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.54 1rjj h LYS 67 CO 0.35 0.00 0.65 0.22 -2.00 0.00 0.00 179.45 178.67 1rjj h ASP 68 N 0.00 1.04 -0.43 7.07 3.58 -1.99 -0.91 116.42 124.78 1rjj h ASP 68 Ca 0.05 0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.38 1rjj h ASP 68 Cb 0.33 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 1rjj h ASP 68 CO -0.00 0.66 -0.24 1.23 -2.88 0.00 0.00 179.24 178.01 1rjj h GLY 69 N 1.17 0.99 0.99 -0.78 0.00 -1.77 -1.36 103.07 102.32 1rjj h GLY 69 Ca 0.44 -0.92 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1rjj h GLY 69 CO -0.18 0.83 0.20 -1.82 0.00 0.00 0.00 176.54 175.57 1rjj h TYR 70 N 0.74 0.41 0.00 5.60 3.20 -1.38 -0.46 116.97 125.08 1rjj h TYR 70 Ca 0.09 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.86 1rjj h TYR 70 Cb 0.82 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 1rjj h TYR 70 CO 0.06 0.28 -0.48 -0.39 -1.64 0.00 0.00 178.16 175.99 1rjj h VAL 71 N 0.41 1.24 0.69 1.81 -1.51 -1.16 -2.78 116.25 114.96 1rjj h VAL 71 Ca 0.11 -1.70 -0.03 0.00 -1.23 0.00 0.00 66.70 63.84 1rjj h VAL 71 Cb -0.01 1.94 0.01 0.00 -2.13 0.00 0.00 31.29 31.10 1rjj h VAL 71 CO -0.02 0.47 -0.33 0.00 -1.23 0.00 0.00 177.57 176.46 1rjj h ALA 72 N 1.52 -1.00 -0.97 5.19 0.00 -0.53 0.33 119.26 123.80 1rjj h ALA 72 Ca -0.00 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.78 1rjj h ALA 72 Cb 0.91 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 1rjj h ALA 72 CO 0.06 -0.93 0.63 0.27 0.00 0.00 0.00 179.25 179.28 1rjj h PHE 73 N -1.16 1.13 0.10 0.00 -5.15 -1.14 -1.77 116.94 108.96 1rjj h PHE 73 Ca -0.09 0.03 -0.27 0.00 -0.20 0.00 0.00 57.97 57.44 1rjj h PHE 73 Cb 0.71 -0.37 -0.00 0.00 0.22 0.00 0.00 35.95 36.51 1rjj h PHE 73 CO 0.02 0.56 -1.25 0.00 -2.00 0.00 0.00 178.31 175.64 1rjj h THR 74 N 1.08 1.48 -0.14 0.88 1.03 -1.50 -3.31 112.91 112.43 1rjj h THR 74 Ca 0.43 -3.08 -0.10 0.00 -0.01 0.00 0.00 66.41 63.65 1rjj h THR 74 Cb 0.25 2.89 -0.01 0.00 -1.07 0.00 0.00 68.15 70.21 1rjj h THR 74 CO -0.18 0.89 -0.35 0.28 -0.01 0.00 0.00 175.52 176.15 1rjj h SER 75 N 0.06 0.30 -2.89 0.00 0.02 0.14 -3.43 113.55 107.75 1rjj h SER 75 Ca -0.13 -0.11 -0.54 0.00 -0.84 0.00 0.00 61.79 60.17 1rjj h SER 75 Cb 1.94 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 64.41 1rjj h SER 75 CO 0.18 0.64 0.84 -1.00 -1.14 0.00 0.00 176.83 176.34 1rjj s HIS 76 N -4.28 2.86 -0.24 3.45 3.76 -0.71 -4.81 115.29 115.32 1rjj s HIS 76 Ca -0.05 0.77 0.00 0.00 -0.15 0.00 0.00 55.06 55.63 1rjj s HIS 76 Cb 0.14 -3.71 0.00 0.00 1.11 0.00 0.00 32.58 30.12 1rjj s HIS 76 CO 0.77 -2.63 0.47 -2.30 -0.85 0.00 0.00 174.74 170.21 1rjj n PRO 77 N 5.15 0.00 0.12 8.40 -0.02 -1.26 -1.04 135.00 146.35 1rjj n PRO 77 Ca 0.13 0.07 -0.03 0.00 -2.02 0.00 0.00 63.50 61.66 1rjj n PRO 77 Cb 0.43 -1.81 0.15 0.00 -0.02 0.00 0.00 33.50 32.25 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 0.10 0.00 2.45 6.46 -1.87 -3.16 115.31 119.28 1rjj h LEU 78 Ca 0.00 -0.06 -0.21 0.00 -0.12 0.00 0.00 57.88 57.49 1rjj h LEU 78 Cb 0.61 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.48 1rjj h LEU 78 CO 0.00 0.69 -1.13 -0.74 -0.62 0.00 0.00 178.44 176.64 1rjj h HIS 79 N 0.06 0.00 0.69 1.25 2.76 -1.23 -3.16 115.15 115.52 1rjj h HIS 79 Ca -0.01 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.13 1rjj h HIS 79 Cb 1.11 0.00 0.01 0.00 1.55 0.00 0.00 27.41 30.07 1rjj h HIS 79 CO 0.01 0.92 -0.33 0.28 -1.30 0.00 0.00 177.93 177.51 1rjj h VAL 80 N 0.00 0.16 -0.89 5.26 2.07 -1.70 0.77 116.25 121.92 1rjj h VAL 80 Ca -0.08 -0.27 0.09 0.00 0.82 0.00 0.00 66.70 67.26 1rjj h VAL 80 Cb 1.77 0.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.68 1rjj h VAL 80 CO 0.11 0.02 0.58 -0.33 0.02 0.00 0.00 177.57 177.96 1rjj h GLU 81 N -1.15 0.89 -0.21 1.57 4.39 -1.71 -0.76 114.58 117.61 1rjj h GLU 81 Ca -0.09 -0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.40 1rjj h GLU 81 Cb 0.74 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1rjj h GLU 81 CO 0.15 0.59 -0.46 0.35 -1.16 0.00 0.00 179.01 178.49 1rjj h PHE 82 N 0.92 0.87 -0.85 4.33 3.57 -1.48 -3.02 116.94 121.28 1rjj h PHE 82 Ca 0.40 -0.32 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1rjj h PHE 82 Cb 0.34 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 1rjj h PHE 82 CO -0.00 1.10 0.42 0.66 -2.23 0.00 0.00 178.31 178.26 1rjj h SER 83 N 0.39 1.10 -0.06 0.41 4.64 0.14 0.51 113.55 120.68 1rjj h SER 83 Ca 0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1rjj h SER 83 Cb 1.07 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1rjj h SER 83 CO 0.10 0.91 0.03 0.00 -0.87 0.00 0.00 176.83 177.01 1rjj h ALA 84 N 1.25 0.07 -0.52 5.18 0.00 -1.17 -2.36 119.26 121.72 1rjj h ALA 84 Ca 0.29 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 1rjj h ALA 84 Cb 0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1rjj h ALA 84 CO -0.04 -0.44 -0.09 0.00 0.00 0.00 0.00 179.25 178.68 1rjj h ALA 85 N 1.03 0.71 -1.38 0.00 0.00 -1.35 -1.98 119.26 116.30 1rjj h ALA 85 Ca 0.02 -0.34 0.40 0.00 0.00 0.00 0.00 54.91 54.99 1rjj h ALA 85 Cb -0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 1rjj h ALA 85 CO -0.01 0.61 1.04 0.35 0.00 0.00 0.00 179.25 181.23 1rjj h PHE 86 N 0.85 0.00 0.00 0.00 3.57 0.55 0.19 116.94 122.10 1rjj h PHE 86 Ca 0.14 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1rjj h PHE 86 Cb 0.65 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.39 1rjj h PHE 86 CO 0.05 0.00 -0.07 1.15 -2.23 0.00 0.00 178.31 177.21 1rjj h THR 87 N 0.00 0.00 -1.24 4.41 2.02 -1.06 -2.86 112.91 114.18 1rjj h THR 87 Ca 0.65 -0.79 0.36 0.00 0.77 0.00 0.00 66.41 67.40 1rjj h THR 87 Cb 2.72 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 69.08 1rjj h THR 87 CO -0.01 0.00 1.22 0.00 0.37 0.00 0.00 175.52 177.10 1rjj n ALA 88 N -2.74 1.19 -0.35 6.16 0.00 0.12 0.35 120.51 125.23 1rjj n ALA 88 Ca -0.01 0.41 0.08 0.00 0.00 0.00 0.00 53.44 53.92 1rjj n ALA 88 Cb 0.04 -0.71 0.24 0.00 0.00 0.00 0.00 19.45 19.01 1rjj n ALA 88 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1rjj n VAL 89 N -3.33 1.20 -4.32 0.00 0.24 0.44 -4.99 118.33 107.58 1rjj n VAL 89 Ca 0.28 -1.09 -0.17 0.00 -2.04 0.00 0.00 64.34 61.32 1rjj n VAL 89 Cb 1.59 0.40 -0.10 0.00 -1.47 0.00 0.00 33.84 34.25 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 -1.25 1.16 0.00 1.34 -1.09 1.06 -4.28 121.20 118.14 1rjj s ILE 90 Ca 0.36 -2.06 0.00 0.00 -2.23 0.00 0.00 60.65 56.72 1rjj s ILE 90 Cb 0.20 -2.21 0.00 0.00 -1.58 0.00 0.00 42.46 38.87 1rjj s ILE 90 CO 0.21 -0.44 0.00 -0.67 -1.23 0.00 0.00 174.94 172.81 1rjj n ASP 91 N -0.38 3.59 -4.01 3.58 2.03 -0.96 -4.85 116.55 115.55 1rjj n ASP 91 Ca -0.07 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 54.97 1rjj n ASP 91 Cb 0.63 0.22 -0.17 0.00 -0.72 0.00 0.00 41.12 41.08 1rjj n ASP 91 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1rjj s LYS 92 N -1.79 1.95 -0.13 -0.67 2.20 -1.12 -4.98 119.74 115.19 1rjj s LYS 92 Ca 0.00 -0.46 0.01 0.00 -0.36 0.00 0.00 55.97 55.17 1rjj s LYS 92 Cb 0.00 -1.71 0.02 0.00 -1.51 0.00 0.00 37.83 34.62 1rjj s LYS 92 CO 0.00 -0.09 -0.17 -1.50 -0.36 0.00 0.00 175.35 173.23 1rjj s ILE 93 N 1.08 1.68 -0.04 5.43 1.10 -1.26 -3.12 121.20 126.07 1rjj s ILE 93 Ca -0.06 -0.73 0.03 0.00 -0.51 0.00 0.00 60.65 59.38 1rjj s ILE 93 Cb -0.15 -1.53 0.01 0.00 0.15 0.00 0.00 42.46 40.94 1rjj s ILE 93 CO -0.02 0.48 -0.11 -0.69 -2.11 0.00 0.00 174.94 172.49 1rjj s VAL 94 N 1.14 0.98 -0.02 4.00 1.01 -0.59 -4.98 120.40 121.95 1rjj s VAL 94 Ca -0.02 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1rjj s VAL 94 Cb -0.14 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.37 1rjj s VAL 94 CO -0.06 0.31 -0.02 -0.76 0.00 0.00 0.00 175.10 174.57 1rjj s LEU 95 N 0.41 1.62 -0.23 3.92 1.02 -1.26 0.08 118.68 124.24 1rjj s LEU 95 Ca -0.08 -0.05 -0.02 0.00 0.02 0.00 0.00 54.13 54.00 1rjj s LEU 95 Cb -0.12 -0.20 0.02 0.00 0.02 0.00 0.00 46.19 45.90 1rjj s LEU 95 CO 0.02 -0.02 -0.07 -0.76 0.02 0.00 0.00 176.35 175.54 1rjj s LEU 96 N 0.43 3.01 -0.19 1.79 1.02 -0.49 -4.96 118.68 119.29 1rjj s LEU 96 Ca -0.04 -0.72 -0.02 0.00 0.02 0.00 0.00 54.13 53.37 1rjj s LEU 96 Cb -0.07 -1.67 -0.00 0.00 0.02 0.00 0.00 46.19 44.47 1rjj s LEU 96 CO -0.01 -0.09 -0.10 -1.81 0.02 0.00 0.00 176.35 174.36 1rjj s ASP 97 N 1.37 3.91 -0.20 2.29 1.01 -1.26 -2.50 116.67 121.28 1rjj s ASP 97 Ca 0.02 -0.46 -0.16 0.00 0.71 0.00 0.00 52.55 52.66 1rjj s ASP 97 Cb -0.16 -1.64 0.06 0.00 1.01 0.00 0.00 42.92 42.19 1rjj s ASP 97 CO -0.05 0.02 0.52 0.12 0.21 0.00 0.00 175.17 175.99 1rjj s PHE 98 N 1.23 -0.63 0.40 4.23 2.19 -0.84 -5.01 117.98 119.54 1rjj s PHE 98 Ca 0.02 1.46 -0.26 0.00 0.33 0.00 0.00 56.93 58.48 1rjj s PHE 98 Cb -0.14 0.25 -0.09 0.00 -1.31 0.00 0.00 43.02 41.73 1rjj s PHE 98 CO -0.04 -0.31 1.36 -1.25 1.83 0.00 0.00 175.22 176.80 1rjj s PRO 99 N 0.61 3.97 0.01 10.12 0.04 -1.26 -1.52 135.00 146.97 1rjj s PRO 99 Ca -0.03 2.29 0.08 0.00 0.04 0.00 0.00 61.00 63.38 1rjj s PRO 99 Cb -0.05 -2.81 -0.02 0.00 0.04 0.00 0.00 34.50 31.67 1rjj s PRO 99 CO -0.04 -0.54 -0.23 0.08 0.04 0.00 0.00 177.00 176.31 1rjj s VAL 100 N -1.21 1.84 -0.48 -0.36 1.01 -0.06 -4.16 120.40 116.98 1rjj s VAL 100 Ca 0.56 -1.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 1rjj s VAL 100 Cb -0.41 -1.55 0.13 0.00 0.00 0.00 0.00 36.38 34.54 1rjj s VAL 100 CO 0.53 0.41 0.29 0.00 0.00 0.00 0.00 175.10 176.34 1rjj s ALA 101 N -0.65 3.31 -0.62 5.51 0.00 -1.26 -2.00 121.76 126.05 1rjj s ALA 101 Ca 0.09 -2.77 -0.27 0.00 0.00 0.00 0.00 51.96 49.01 1rjj s ALA 101 Cb -0.09 -2.53 -0.28 0.00 0.00 0.00 0.00 23.12 20.23 1rjj s ALA 101 CO 0.00 -1.91 1.85 0.00 0.00 0.00 0.00 175.76 175.70 1rjj n ALA 102 N 4.26 0.43 -3.66 0.00 0.00 -1.26 -4.73 120.51 115.54 1rjj n ALA 102 Ca 0.01 -2.32 -0.12 0.00 0.00 0.00 0.00 53.44 51.00 1rjj n ALA 102 Cb 0.40 -3.33 -0.12 0.00 0.00 0.00 0.00 19.45 16.40 1rjj n ALA 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1rjj s VAL 103 N 12.72 -0.45 -0.21 0.00 -7.23 -1.26 -5.09 120.40 118.87 1rjj s VAL 103 Ca 0.73 0.25 0.02 0.00 -1.81 0.00 0.00 61.98 61.16 1rjj s VAL 103 Cb 0.03 -0.49 0.04 0.00 0.56 0.00 0.00 36.38 36.51 1rjj s VAL 103 CO 0.24 0.10 -0.16 -0.54 -0.31 0.00 0.00 175.10 174.44 1rjj s LYS 104 N 2.41 2.63 0.05 4.82 3.01 -1.26 -4.99 119.74 126.40 1rjj s LYS 104 Ca 0.00 -1.03 -0.19 0.00 -1.01 0.00 0.00 55.97 53.74 1rjj s LYS 104 Cb -0.12 -2.68 -0.13 0.00 -1.01 0.00 0.00 37.83 33.89 1rjj s LYS 104 CO -0.10 -0.37 1.36 0.77 0.51 0.00 0.00 175.35 177.53 1rjj h SER 105 N 7.88 0.47 -6.83 2.83 0.02 -2.00 -3.46 113.55 112.45 1rjj h SER 105 Ca -0.34 -0.48 -0.57 0.00 -0.84 0.00 0.00 61.79 59.56 1rjj h SER 105 Cb 1.10 -0.13 -0.11 0.00 0.14 0.00 0.00 62.40 63.40 1rjj h SER 105 CO 0.56 0.85 -0.95 -0.24 -1.14 0.00 0.00 176.83 175.91 1rjj n SER 106 N -4.48 -0.73 -2.66 3.07 2.88 -1.26 -4.78 113.62 105.66 1rjj n SER 106 Ca -0.06 -1.19 -0.03 0.00 -1.33 0.00 0.00 58.87 56.26 1rjj n SER 106 Cb 0.39 -2.16 0.00 0.00 -0.75 0.00 0.00 64.21 61.70 1rjj n SER 106 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1rjj n VAL 107 N -4.59 0.00 -2.63 2.46 3.14 -1.26 -5.02 118.33 110.43 1rjj n VAL 107 Ca -0.27 -0.64 -0.03 0.00 -2.96 0.00 0.00 64.34 60.44 1rjj n VAL 107 Cb 0.66 0.65 0.07 0.00 -1.06 0.00 0.00 33.84 34.17 1rjj n VAL 107 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1rjj n VAL 108 N -0.35 0.00 -1.75 1.55 3.14 -1.26 -5.04 118.33 114.61 1rjj n VAL 108 Ca -0.24 -0.77 -0.35 0.00 -2.96 0.00 0.00 64.34 60.01 1rjj n VAL 108 Cb 0.66 0.80 -0.05 0.00 -1.06 0.00 0.00 33.84 34.19 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 -0.80 2.60 -1.75 1.55 0.00 -1.26 -4.92 120.51 115.92 1rjj n ALA 109 Ca -0.12 -3.21 -0.33 0.00 0.00 0.00 0.00 53.44 49.78 1rjj n ALA 109 Cb 0.74 -3.55 -0.01 0.00 0.00 0.00 0.00 19.45 16.62 1rjj n ALA 109 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1rjj s THR 110 N 8.09 4.04 -2.00 0.00 -4.23 -1.26 -5.29 115.64 114.99 1rjj s THR 110 Ca 0.63 1.04 0.27 0.00 -1.18 0.00 0.00 61.69 62.44 1rjj s THR 110 Cb 0.06 -3.50 0.77 0.00 1.34 0.00 0.00 72.50 71.17 1rjj s THR 110 CO 0.12 -0.50 1.97 -0.81 -0.54 0.00 0.00 174.62 174.86