#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 -1.07 0.94 3.04 0.00 -1.26 -4.87 120.51 117.28 1rjj n ALA 2 Ca 0.00 0.33 0.10 0.00 0.00 0.00 0.00 53.44 53.87 1rjj n ALA 2 Cb 0.00 -4.55 -0.07 0.00 0.00 0.00 0.00 19.45 14.83 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 -4.63 0.00 0.00 0.00 5.66 -1.26 -4.88 114.28 109.17 1rjj n THR 3 Ca -0.02 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1rjj n THR 3 Cb 0.57 1.10 0.00 0.00 -1.55 0.00 0.00 70.33 70.45 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 -0.87 0.00 0.00 1.09 2.88 -1.26 -4.97 113.62 110.49 1rjj n SER 4 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1rjj n SER 4 Cb 0.37 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 1rjj n SER 4 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rjj n GLY 5 N 0.37 4.76 2.95 0.46 0.00 -1.15 -4.68 105.19 107.89 1rjj n GLY 5 Ca 0.00 -1.25 -0.17 0.00 0.00 0.00 0.00 46.02 44.60 1rjj n GLY 5 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rjj s PHE 6 N -1.21 0.51 -0.03 1.61 0.08 -0.72 -3.20 117.98 115.01 1rjj s PHE 6 Ca 0.00 -0.10 0.04 0.00 0.12 0.00 0.00 56.93 56.99 1rjj s PHE 6 Cb 0.00 -0.36 -0.03 0.00 -0.57 0.00 0.00 43.02 42.06 1rjj s PHE 6 CO 0.00 -0.04 -0.12 0.21 -0.10 0.00 0.00 175.22 175.17 1rjj s LYS 7 N 0.06 2.49 -0.06 0.44 2.20 -1.23 -1.17 119.74 122.49 1rjj s LYS 7 Ca -0.00 -0.71 0.02 0.00 -0.36 0.00 0.00 55.97 54.91 1rjj s LYS 7 Cb -0.04 -2.41 0.01 0.00 -1.51 0.00 0.00 37.83 33.89 1rjj s LYS 7 CO -0.00 0.62 -0.10 -1.58 -0.36 0.00 0.00 175.35 173.92 1rjj s HIS 8 N -0.81 1.29 0.02 4.03 5.65 0.12 -2.79 115.29 122.80 1rjj s HIS 8 Ca 0.13 -0.46 0.02 0.00 0.25 0.00 0.00 55.06 55.00 1rjj s HIS 8 Cb -0.11 -0.97 -0.01 0.00 -1.18 0.00 0.00 32.58 30.31 1rjj s HIS 8 CO 0.02 -0.25 -0.07 -1.17 -0.65 0.00 0.00 174.74 172.62 1rjj s LEU 9 N 0.71 2.13 -0.04 8.88 0.20 -0.98 0.61 118.68 130.19 1rjj s LEU 9 Ca -0.14 -0.32 0.04 0.00 0.69 0.00 0.00 54.13 54.39 1rjj s LEU 9 Cb -0.15 -0.27 -0.00 0.00 -0.43 0.00 0.00 46.19 45.33 1rjj s LEU 9 CO 0.03 -0.04 -0.14 0.54 -0.29 0.00 0.00 176.35 176.45 1rjj s VAL 10 N -0.71 1.17 -0.13 1.68 0.11 -0.62 -1.67 120.40 120.22 1rjj s VAL 10 Ca -0.03 -0.58 0.01 0.00 -2.93 0.00 0.00 61.98 58.46 1rjj s VAL 10 Cb -0.06 -1.02 -0.01 0.00 -1.53 0.00 0.00 36.38 33.77 1rjj s VAL 10 CO 0.00 0.35 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.26 1rjj s VAL 11 N 0.09 2.66 0.06 2.04 1.01 0.26 -2.23 120.40 124.30 1rjj s VAL 11 Ca -0.03 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1rjj s VAL 11 Cb -0.10 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1rjj s VAL 11 CO 0.01 0.53 -0.05 0.68 0.00 0.00 0.00 175.10 176.27 1rjj s VAL 12 N 0.55 0.43 0.15 2.92 -7.23 -1.04 -1.85 120.40 114.32 1rjj s VAL 12 Ca -0.10 -1.61 0.10 0.00 -1.81 0.00 0.00 61.98 58.55 1rjj s VAL 12 Cb -0.16 -1.26 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 1rjj s VAL 12 CO 0.04 -0.78 -0.23 -0.75 -0.31 0.00 0.00 175.10 173.07 1rjj s LYS 13 N -3.17 1.33 0.03 4.82 2.47 -1.24 -2.90 119.74 121.09 1rjj s LYS 13 Ca 0.03 -1.36 0.01 0.00 -1.56 0.00 0.00 55.97 53.09 1rjj s LYS 13 Cb 0.02 -1.64 -0.04 0.00 -1.46 0.00 0.00 37.83 34.71 1rjj s LYS 13 CO -0.05 0.37 0.07 -0.59 0.16 0.00 0.00 175.35 175.31 1rjj s PHE 14 N -1.44 3.22 0.00 4.03 -0.12 -1.26 0.30 117.98 122.71 1rjj s PHE 14 Ca 0.14 0.14 0.00 0.00 -0.05 0.00 0.00 56.93 57.16 1rjj s PHE 14 Cb -0.09 -1.68 0.00 0.00 -0.63 0.00 0.00 43.02 40.62 1rjj s PHE 14 CO 0.07 0.53 0.00 0.36 -0.05 0.00 0.00 175.22 176.12 1rjj n LYS 15 N 0.92 2.01 -0.09 1.99 2.85 -1.26 -4.75 118.16 119.83 1rjj n LYS 15 Ca -0.11 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.02 1rjj n LYS 15 Cb 0.52 -0.98 -0.07 0.00 -0.65 0.00 0.00 35.03 33.86 1rjj n LYS 15 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1rjj h GLU 16 N 0.00 0.00 0.00 -1.58 5.08 -1.88 -3.49 114.58 112.71 1rjj h GLU 16 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1rjj h GLU 16 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1rjj h GLU 16 CO 0.00 0.50 0.00 -3.47 -1.00 0.00 0.00 179.01 175.04 1rjj n ASP 17 N -4.54 0.00 -4.58 1.42 2.03 -1.26 -5.10 116.55 104.52 1rjj n ASP 17 Ca -0.19 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.68 1rjj n ASP 17 Cb 0.46 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.82 1rjj n ASP 17 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1rjj n THR 18 N 0.00 0.33 -2.61 5.18 -1.04 -1.26 -4.88 114.28 110.00 1rjj n THR 18 Ca 0.00 -0.44 -0.41 0.00 -2.04 0.00 0.00 64.05 61.16 1rjj n THR 18 Cb 0.00 -2.46 -0.03 0.00 -1.82 0.00 0.00 70.33 66.02 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 6.33 3.48 0.46 -2.82 3.01 -1.26 -4.82 119.74 124.12 1rjj s LYS 19 Ca 1.02 -0.97 0.13 0.00 -1.01 0.00 0.00 55.97 55.13 1rjj s LYS 19 Cb -0.40 -5.00 1.07 0.00 -1.01 0.00 0.00 37.83 32.49 1rjj s LYS 19 CO 0.37 -2.14 2.06 -0.39 0.51 0.00 0.00 175.35 175.77 1rjj h VAL 20 N 6.50 1.00 -0.55 3.17 -1.51 -1.99 -1.40 116.25 121.46 1rjj h VAL 20 Ca 0.07 -0.11 -0.10 0.00 -1.23 0.00 0.00 66.70 65.33 1rjj h VAL 20 Cb 1.02 0.66 -0.02 0.00 -2.13 0.00 0.00 31.29 30.82 1rjj h VAL 20 CO 1.35 0.06 -0.05 -2.24 -1.23 0.00 0.00 177.57 175.46 1rjj h ASP 21 N 0.31 0.98 0.01 4.19 2.03 -1.98 0.55 116.42 122.51 1rjj h ASP 21 Ca 0.14 -0.29 -0.10 0.00 -0.73 0.00 0.00 57.03 56.05 1rjj h ASP 21 Cb 0.18 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 38.41 1rjj h ASP 21 CO -0.03 1.06 -0.29 -0.33 -1.03 0.00 0.00 179.24 178.61 1rjj h GLU 22 N 0.90 0.43 -0.37 4.15 4.39 -1.69 -1.09 114.58 121.31 1rjj h GLU 22 Ca 0.15 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 1rjj h GLU 22 Cb 0.59 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1rjj h GLU 22 CO 0.04 0.69 0.03 0.82 -1.16 0.00 0.00 179.01 179.42 1rjj h ILE 23 N 0.38 1.25 -0.89 3.13 2.04 -0.80 -1.99 117.51 120.63 1rjj h ILE 23 Ca 0.05 -0.92 0.15 0.00 1.00 0.00 0.00 64.86 65.14 1rjj h ILE 23 Cb 0.71 1.13 -0.07 0.00 -0.74 0.00 0.00 36.82 37.85 1rjj h ILE 23 CO 0.05 0.31 0.58 0.25 0.00 0.00 0.00 178.15 179.34 1rjj h LEU 24 N 0.45 0.65 -1.79 1.44 5.85 0.89 1.22 115.31 124.02 1rjj h LEU 24 Ca 0.11 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1rjj h LEU 24 Cb 0.41 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1rjj h LEU 24 CO 0.01 0.32 0.15 0.50 -0.34 0.00 0.00 178.44 179.08 1rjj h LYS 25 N 0.68 0.28 0.15 1.25 3.64 -0.45 0.62 116.57 122.73 1rjj h LYS 25 Ca 0.45 -0.02 -0.23 0.00 -1.27 0.00 0.00 60.65 59.58 1rjj h LYS 25 Cb 0.74 -0.06 0.02 0.00 -0.41 0.00 0.00 32.23 32.52 1rjj h LYS 25 CO -0.21 0.18 -1.08 0.78 -2.27 0.00 0.00 179.45 176.86 1rjj h GLY 26 N 0.29 0.36 0.68 5.01 0.00 0.12 -2.80 103.07 106.73 1rjj h GLY 26 Ca 0.08 -0.91 -0.02 0.00 0.00 0.00 0.00 47.33 46.49 1rjj h GLY 26 CO -0.02 0.80 -0.43 -2.00 0.00 0.00 0.00 176.54 174.89 1rjj h LEU 27 N -0.29 -1.13 -0.77 3.11 7.12 0.18 2.49 115.31 126.02 1rjj h LEU 27 Ca -0.21 0.08 0.14 0.00 0.13 0.00 0.00 57.88 58.03 1rjj h LEU 27 Cb 1.74 0.36 -0.09 0.00 -0.53 0.00 0.00 40.66 42.13 1rjj h LEU 27 CO 0.14 -0.61 0.33 1.05 -0.13 0.00 0.00 178.44 179.22 1rjj h GLU 28 N -0.94 0.47 -0.60 1.25 4.11 0.06 0.71 114.58 119.63 1rjj h GLU 28 Ca -0.06 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.33 1rjj h GLU 28 Cb 0.80 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 1rjj h GLU 28 CO -0.00 0.31 0.33 -0.97 0.07 0.00 0.00 179.01 178.75 1rjj h ASN 29 N 0.48 0.75 -0.82 3.06 -1.24 -0.98 -1.59 115.58 115.26 1rjj h ASN 29 Ca 0.42 -0.09 0.17 0.00 0.71 0.00 0.00 56.30 57.51 1rjj h ASN 29 Cb 0.63 -0.19 -0.11 0.00 0.73 0.00 0.00 38.32 39.38 1rjj h ASN 29 CO -0.39 0.63 0.33 0.25 -1.29 0.00 0.00 177.43 176.96 1rjj h LEU 30 N 0.82 0.29 -1.92 0.34 7.12 1.04 1.22 115.31 124.21 1rjj h LEU 30 Ca 0.21 0.13 0.21 0.00 0.13 0.00 0.00 57.88 58.56 1rjj h LEU 30 Cb 0.04 0.11 -0.03 0.00 -0.53 0.00 0.00 40.66 40.25 1rjj h LEU 30 CO -0.03 0.06 0.62 0.58 -0.13 0.00 0.00 178.44 179.54 1rjj h VAL 31 N 0.43 0.42 -0.99 1.05 2.07 0.09 0.55 116.25 119.87 1rjj h VAL 31 Ca 0.47 0.00 0.35 0.00 0.82 0.00 0.00 66.70 68.34 1rjj h VAL 31 Cb 0.80 0.54 -0.18 0.00 -1.52 0.00 0.00 31.29 30.93 1rjj h VAL 31 CO -0.46 0.00 0.32 -1.28 0.02 0.00 0.00 177.57 176.17 1rjj h SER 32 N 0.00 -0.01 1.33 0.57 0.87 0.15 2.55 113.55 119.01 1rjj h SER 32 Ca 0.34 0.26 -0.05 0.00 -1.23 0.00 0.00 61.79 61.11 1rjj h SER 32 Cb 1.58 0.35 -0.01 0.00 -0.44 0.00 0.00 62.40 63.88 1rjj h SER 32 CO -0.00 -0.38 -0.25 1.56 -0.53 0.00 0.00 176.83 177.23 1rjj h GLN 33 N 0.03 0.00 -0.95 2.24 1.08 -1.04 -3.22 115.11 113.25 1rjj h GLN 33 Ca 0.73 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.84 1rjj h GLN 33 Cb 1.75 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 29.13 1rjj h GLN 33 CO -0.82 0.25 0.11 -0.89 -0.95 0.00 0.00 178.83 176.53 1rjj n ILE 34 N -3.26 1.29 0.04 2.54 2.08 0.86 -3.92 119.36 118.99 1rjj n ILE 34 Ca 0.02 -0.49 0.01 0.00 0.56 0.00 0.00 62.75 62.84 1rjj n ILE 34 Cb 0.54 -0.68 0.02 0.00 -0.75 0.00 0.00 39.64 38.77 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 0.09 0.00 0.00 4.38 5.68 -1.16 0.71 116.55 126.26 1rjj n ASP 35 Ca 0.13 0.45 0.11 0.00 -0.50 0.00 0.00 54.79 54.98 1rjj n ASP 35 Cb 0.71 -0.45 0.59 0.00 -1.14 0.00 0.00 41.12 40.82 1rjj n ASP 35 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1rjj n THR 36 N -1.45 0.20 -2.21 2.12 -2.24 -1.25 -4.82 114.28 104.62 1rjj n THR 36 Ca 0.00 0.05 -0.03 0.00 -2.27 0.00 0.00 64.05 61.80 1rjj n THR 36 Cb 0.01 -0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 67.53 1rjj n THR 36 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1rjj n VAL 37 N -1.16 0.00 -1.96 2.28 0.24 0.22 -4.64 118.33 113.31 1rjj n VAL 37 Ca 0.13 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.20 1rjj n VAL 37 Cb 0.13 -0.03 0.03 0.00 -1.47 0.00 0.00 33.84 32.50 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 -2.06 3.47 -3.71 7.34 5.02 -1.26 -5.02 118.16 121.94 1rjj n LYS 38 Ca 0.01 -4.08 -0.01 0.00 -2.02 0.00 0.00 58.31 52.21 1rjj n LYS 38 Cb 0.39 -2.25 -0.01 0.00 -0.02 0.00 0.00 35.03 33.14 1rjj n LYS 38 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1rjj s SER 39 N -3.49 -0.11 0.07 4.39 0.15 -1.26 -0.29 113.70 113.16 1rjj s SER 39 Ca 0.51 -0.30 -0.10 0.00 0.70 0.00 0.00 55.95 56.76 1rjj s SER 39 Cb 0.41 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 65.07 1rjj s SER 39 CO 0.03 -0.63 0.21 -0.36 1.20 0.00 0.00 173.24 173.69 1rjj s PHE 40 N -2.80 0.07 -0.19 3.44 0.08 0.82 -4.93 117.98 114.48 1rjj s PHE 40 Ca 0.14 -0.39 -0.07 0.00 0.12 0.00 0.00 56.93 56.74 1rjj s PHE 40 Cb 0.01 -0.02 0.09 0.00 -0.57 0.00 0.00 43.02 42.53 1rjj s PHE 40 CO -0.00 -0.50 0.40 -1.21 -0.10 0.00 0.00 175.22 173.81 1rjj s GLU 41 N -3.23 0.30 0.22 0.44 2.02 -1.25 -0.70 118.70 116.51 1rjj s GLU 41 Ca 0.00 1.00 0.04 0.00 0.02 0.00 0.00 54.97 56.03 1rjj s GLU 41 Cb 0.02 0.29 -0.05 0.00 0.10 0.00 0.00 34.13 34.48 1rjj s GLU 41 CO -0.08 -0.25 -0.03 1.67 0.02 0.00 0.00 175.26 176.60 1rjj s TRP 42 N 2.56 1.56 0.31 1.61 -2.14 -1.22 -4.95 118.94 116.68 1rjj s TRP 42 Ca -0.02 -0.87 0.03 0.00 2.66 0.00 0.00 56.10 57.91 1rjj s TRP 42 Cb -0.12 -0.89 -0.04 0.00 -3.10 0.00 0.00 33.47 29.33 1rjj s TRP 42 CO -0.12 0.02 0.14 0.20 -2.66 0.00 0.00 176.95 174.53 1rjj s GLY 43 N -3.30 2.09 -0.15 3.67 0.00 -1.26 -2.26 107.32 106.11 1rjj s GLY 43 Ca 0.27 -1.73 -0.16 0.00 0.00 0.00 0.00 44.72 43.10 1rjj s GLY 43 CO 0.08 -1.63 0.45 -1.83 0.00 0.00 0.00 173.10 170.17 1rjj s GLU 44 N -3.83 0.56 -0.08 2.90 -1.05 -1.20 -4.94 118.70 111.07 1rjj s GLU 44 Ca 0.35 0.55 -0.03 0.00 -0.15 0.00 0.00 54.97 55.69 1rjj s GLU 44 Cb 0.05 0.27 -0.04 0.00 -0.44 0.00 0.00 34.13 33.98 1rjj s GLU 44 CO 0.17 -0.08 0.04 -0.51 0.95 0.00 0.00 175.26 175.82 1rjj s ASP 45 N 0.06 5.54 -0.26 0.83 1.01 -1.26 -2.55 116.67 120.03 1rjj s ASP 45 Ca -0.02 0.21 -0.02 0.00 0.71 0.00 0.00 52.55 53.43 1rjj s ASP 45 Cb -0.03 -1.62 0.09 0.00 1.01 0.00 0.00 42.92 42.36 1rjj s ASP 45 CO 0.01 0.37 0.09 -0.54 0.21 0.00 0.00 175.17 175.31 1rjj s LYS 46 N -1.03 0.53 0.00 8.23 3.01 -1.11 -4.93 119.74 124.44 1rjj s LYS 46 Ca 0.15 -0.68 0.09 0.00 -1.01 0.00 0.00 55.97 54.52 1rjj s LYS 46 Cb -0.12 -1.80 0.16 0.00 -1.01 0.00 0.00 37.83 35.06 1rjj s LYS 46 CO 0.04 -0.87 0.99 -0.85 0.51 0.00 0.00 175.35 175.16 1rjj n GLU 47 N 5.04 0.00 0.00 1.68 0.28 -1.26 -4.03 120.64 122.35 1rjj n GLU 47 Ca -0.05 -1.21 0.00 0.00 -0.16 0.00 0.00 57.16 55.73 1rjj n GLU 47 Cb 0.44 -0.05 0.00 0.00 1.43 0.00 0.00 31.44 33.26 1rjj n GLU 47 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1rjj n SER 48 N 0.18 0.00 -4.87 -1.84 3.41 -1.26 -4.99 113.62 104.24 1rjj n SER 48 Ca -0.03 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.25 1rjj n SER 48 Cb 0.83 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.73 1rjj n SER 48 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1rjj s HIS 49 N 0.75 3.50 0.25 7.33 3.76 -1.26 -4.75 115.29 124.87 1rjj s HIS 49 Ca 0.00 0.81 -0.04 0.00 -0.15 0.00 0.00 55.06 55.68 1rjj s HIS 49 Cb 0.00 -2.19 0.44 0.00 1.11 0.00 0.00 32.58 31.94 1rjj s HIS 49 CO 0.00 0.39 1.77 0.38 -0.85 0.00 0.00 174.74 176.43 1rjj h ASP 50 N 3.04 0.52 0.61 1.40 2.03 -1.94 2.43 116.42 124.50 1rjj h ASP 50 Ca -0.47 0.08 -0.18 0.00 -0.73 0.00 0.00 57.03 55.72 1rjj h ASP 50 Cb 1.18 -0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 39.65 1rjj h ASP 50 CO 0.69 0.26 -0.82 -0.03 -1.03 0.00 0.00 179.24 178.31 1rjj h MET 51 N 0.64 0.15 0.00 4.15 4.05 -1.93 -3.06 114.93 118.93 1rjj h MET 51 Ca 0.41 -0.15 -0.13 0.00 -0.28 0.00 0.00 59.70 59.55 1rjj h MET 51 Cb 0.51 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.33 1rjj h MET 51 CO -0.32 0.88 -0.94 1.28 0.23 0.00 0.00 176.91 178.05 1rjj n LEU 52 N -3.67 1.84 0.00 3.39 4.77 -0.50 -4.06 117.00 118.76 1rjj n LEU 52 Ca -0.03 0.52 0.02 0.00 -0.03 0.00 0.00 56.01 56.49 1rjj n LEU 52 Cb 0.77 -0.92 0.11 0.00 -2.33 0.00 0.00 43.42 41.04 1rjj n LEU 52 CO 0.46 -0.06 0.33 -2.11 -1.33 0.00 0.00 177.39 174.68 1rjj n ARG 53 N -4.51 0.13 0.00 3.23 1.85 0.81 -4.73 116.66 113.43 1rjj n ARG 53 Ca -0.21 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.64 1rjj n ARG 53 Cb 0.50 -1.44 0.00 0.00 -1.05 0.00 0.00 32.46 30.47 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 -0.94 0.00 0.00 2.89 1.13 -1.15 -3.27 117.38 116.04 1rjj n GLN 54 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1rjj n GLN 54 Cb 0.01 -2.93 0.00 0.00 0.11 0.00 0.00 30.24 27.44 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 -1.02 3.04 0.00 1.08 0.00 -1.26 -4.98 105.19 102.05 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 -1.37 0.00 0.00 1.61 3.72 -1.20 -4.95 117.46 115.27 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 -3.57 4.37 5.66 -1.14 -4.71 114.28 114.89 1rjj n THR 57 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 1rjj n THR 57 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 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 -0.97 -0.44 0.18 1.09 5.65 -1.22 -2.77 115.29 116.81 1rjj s HIS 58 Ca 0.00 0.77 -0.04 0.00 0.25 0.00 0.00 55.06 56.04 1rjj s HIS 58 Cb 0.00 0.44 -0.03 0.00 -1.18 0.00 0.00 32.58 31.81 1rjj s HIS 58 CO 0.00 -0.39 0.17 0.00 -0.65 0.00 0.00 174.74 173.87 1rjj s ALA 59 N -1.05 0.70 -0.01 1.58 0.00 -1.06 -2.49 121.76 119.42 1rjj s ALA 59 Ca -0.03 -1.39 0.01 0.00 0.00 0.00 0.00 51.96 50.55 1rjj s ALA 59 Cb -0.01 1.09 0.01 0.00 0.00 0.00 0.00 23.12 24.22 1rjj s ALA 59 CO 0.03 -0.60 -0.01 -0.06 0.00 0.00 0.00 175.76 175.12 1rjj s PHE 60 N -4.07 0.24 -0.33 0.00 0.40 -0.95 -3.21 117.98 110.06 1rjj s PHE 60 Ca 0.28 -0.01 0.00 0.00 -0.60 0.00 0.00 56.93 56.61 1rjj s PHE 60 Cb 0.06 -0.26 0.08 0.00 0.51 0.00 0.00 43.02 43.41 1rjj s PHE 60 CO 0.06 -0.06 0.05 -1.12 0.70 0.00 0.00 175.22 174.85 1rjj s SER 61 N 0.49 4.89 -0.21 1.36 0.01 -0.96 -1.58 113.70 117.71 1rjj s SER 61 Ca -0.05 -1.73 -0.15 0.00 1.31 0.00 0.00 55.95 55.33 1rjj s SER 61 Cb -0.07 -1.70 -0.04 0.00 0.21 0.00 0.00 66.02 64.42 1rjj s SER 61 CO -0.01 -0.36 0.36 -0.04 0.41 0.00 0.00 173.24 173.60 1rjj s MET 62 N 1.11 4.16 -0.01 12.44 -1.94 0.20 -3.38 119.30 131.88 1rjj s MET 62 Ca 0.02 0.12 0.07 0.00 -1.71 0.00 0.00 55.69 54.20 1rjj s MET 62 Cb -0.20 -3.53 -0.02 0.00 2.01 0.00 0.00 34.83 33.08 1rjj s MET 62 CO -0.04 -0.01 -0.24 0.99 -0.01 0.00 0.00 175.02 175.71 1rjj s THR 63 N 1.23 2.26 -0.08 2.05 2.01 0.12 0.11 115.64 123.34 1rjj s THR 63 Ca 0.17 -1.09 0.02 0.00 0.31 0.00 0.00 61.69 61.10 1rjj s THR 63 Cb -0.14 -1.82 0.01 0.00 0.01 0.00 0.00 72.50 70.56 1rjj s THR 63 CO 0.07 0.54 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.05 1rjj s PHE 64 N -0.67 1.68 0.58 4.92 0.40 -0.31 -0.13 117.98 124.45 1rjj s PHE 64 Ca 0.11 -0.69 0.29 0.00 -0.60 0.00 0.00 56.93 56.04 1rjj s PHE 64 Cb -0.10 -1.22 1.43 0.00 0.51 0.00 0.00 43.02 43.64 1rjj s PHE 64 CO -0.00 -0.36 1.84 1.49 0.70 0.00 0.00 175.22 178.89 1rjj h GLU 65 N 7.15 0.00 -2.02 0.44 4.81 -0.96 -1.93 114.58 122.07 1rjj h GLU 65 Ca -0.30 0.00 0.25 0.00 -0.13 0.00 0.00 59.36 59.18 1rjj h GLU 65 Cb 1.18 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.48 1rjj h GLU 65 CO 0.47 0.00 0.68 1.21 -0.73 0.00 0.00 179.01 180.64 1rjj s ASN 66 N -5.09 -0.07 0.61 1.04 2.47 -1.26 -4.38 114.94 108.25 1rjj s ASN 66 Ca -0.04 -0.34 0.40 0.00 0.42 0.00 0.00 52.86 53.31 1rjj s ASN 66 Cb 0.16 0.33 2.17 0.00 -1.45 0.00 0.00 41.25 42.46 1rjj s ASN 66 CO 0.57 -0.63 2.24 0.11 -3.72 0.00 0.00 177.10 175.67 1rjj h LYS 67 N 2.00 0.00 -0.94 0.43 1.57 -1.98 -2.84 116.57 114.81 1rjj h LYS 67 Ca -0.27 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.52 1rjj h LYS 67 Cb 1.21 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.48 1rjj h LYS 67 CO 0.29 0.00 0.62 -0.44 -0.57 0.00 0.00 179.45 179.36 1rjj h ASP 68 N 0.00 1.07 0.85 0.86 3.32 -1.96 -0.76 116.42 119.81 1rjj h ASP 68 Ca 0.00 -0.03 -0.15 0.00 0.02 0.00 0.00 57.03 56.87 1rjj h ASP 68 Cb 0.04 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1rjj h ASP 68 CO 0.00 0.78 -0.73 1.23 -1.72 0.00 0.00 179.24 178.79 1rjj h GLY 69 N 1.27 0.00 0.98 2.75 0.00 -1.80 -3.00 103.07 103.27 1rjj h GLY 69 Ca 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.60 1rjj h GLY 69 CO -0.08 0.00 0.01 -1.82 0.00 0.00 0.00 176.54 174.65 1rjj h TYR 70 N 0.00 0.88 0.00 5.60 3.20 -1.32 -1.96 116.97 123.37 1rjj h TYR 70 Ca -0.01 -0.15 -0.10 0.00 3.14 0.00 0.00 58.73 61.61 1rjj h TYR 70 Cb 1.36 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.38 1rjj h TYR 70 CO 0.00 0.85 -0.48 -0.39 -1.64 0.00 0.00 178.16 176.49 1rjj h VAL 71 N 0.66 1.24 0.69 1.81 -1.51 -1.21 -2.96 116.25 114.97 1rjj h VAL 71 Ca 0.13 -1.71 -0.03 0.00 -1.23 0.00 0.00 66.70 63.86 1rjj h VAL 71 Cb 0.49 1.95 0.01 0.00 -2.13 0.00 0.00 31.29 31.60 1rjj h VAL 71 CO 0.02 0.47 -0.33 0.00 -1.23 0.00 0.00 177.57 176.50 1rjj h ALA 72 N 1.52 -1.00 -0.99 5.19 0.00 -1.33 0.70 119.26 123.35 1rjj h ALA 72 Ca -0.00 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 54.85 1rjj h ALA 72 Cb 0.91 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 18.97 1rjj h ALA 72 CO 0.06 -0.93 0.62 0.27 0.00 0.00 0.00 179.25 179.27 1rjj h PHE 73 N -1.15 1.06 0.00 0.00 -5.15 -1.40 -1.46 116.94 108.84 1rjj h PHE 73 Ca -0.09 0.03 -0.20 0.00 -0.20 0.00 0.00 57.97 57.51 1rjj h PHE 73 Cb 0.71 -0.33 -0.03 0.00 0.22 0.00 0.00 35.95 36.52 1rjj h PHE 73 CO 0.02 0.36 -0.95 0.00 -2.00 0.00 0.00 178.31 175.73 1rjj h THR 74 N 0.87 1.65 0.00 0.88 1.03 -1.50 -3.25 112.91 112.58 1rjj h THR 74 Ca 0.51 -3.30 -0.03 0.00 -0.01 0.00 0.00 66.41 63.58 1rjj h THR 74 Cb 0.67 2.80 -0.00 0.00 -1.07 0.00 0.00 68.15 70.54 1rjj h THR 74 CO -0.29 0.93 -0.15 0.28 -0.01 0.00 0.00 175.52 176.28 1rjj h SER 75 N 0.00 0.00 -3.22 0.00 0.02 0.25 -3.42 113.55 107.18 1rjj h SER 75 Ca -0.01 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.38 1rjj h SER 75 Cb 1.72 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.23 1rjj h SER 75 CO 0.12 0.15 0.60 -2.28 -1.14 0.00 0.00 176.83 174.28 1rjj s HIS 76 N -4.19 3.44 -0.30 3.45 5.04 -1.10 -4.86 115.29 116.78 1rjj s HIS 76 Ca -0.03 1.51 0.00 0.00 -1.54 0.00 0.00 55.06 55.01 1rjj s HIS 76 Cb 0.13 -3.24 0.00 0.00 0.04 0.00 0.00 32.58 29.51 1rjj s HIS 76 CO 0.61 -0.46 0.44 -2.30 -2.34 0.00 0.00 174.74 170.69 1rjj n PRO 77 N 5.06 0.00 0.17 2.88 -0.02 -1.26 -0.80 135.00 141.03 1rjj n PRO 77 Ca 0.09 0.07 0.05 0.00 -2.02 0.00 0.00 63.50 61.69 1rjj n PRO 77 Cb 0.48 -1.76 0.20 0.00 -0.02 0.00 0.00 33.50 32.41 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 0.03 2.45 5.85 -1.89 -3.20 115.31 118.55 1rjj h LEU 78 Ca 0.00 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.52 1rjj h LEU 78 Cb 0.51 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.56 1rjj h LEU 78 CO 0.00 0.43 -0.78 -0.74 -0.34 0.00 0.00 178.44 177.00 1rjj h HIS 79 N 0.00 0.73 0.35 1.25 2.76 -1.15 -3.08 115.15 116.01 1rjj h HIS 79 Ca -0.00 -0.42 -0.02 0.00 -2.20 0.00 0.00 60.37 57.73 1rjj h HIS 79 Cb 1.12 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.01 1rjj h HIS 79 CO 0.00 1.26 -0.17 -0.24 -1.30 0.00 0.00 177.93 177.48 1rjj h VAL 80 N 0.00 0.66 -0.96 5.26 3.04 -1.75 -1.81 116.25 120.69 1rjj h VAL 80 Ca -0.11 -0.39 0.27 0.00 -1.01 0.00 0.00 66.70 65.47 1rjj h VAL 80 Cb 1.49 0.86 -0.04 0.00 -2.01 0.00 0.00 31.29 31.59 1rjj h VAL 80 CO 0.15 0.08 0.68 -0.33 -1.01 0.00 0.00 177.57 177.14 1rjj h GLU 81 N -0.69 0.06 -0.14 4.17 4.39 -1.68 0.29 114.58 120.98 1rjj h GLU 81 Ca -0.05 -0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.45 1rjj h GLU 81 Cb 0.48 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1rjj h GLU 81 CO 0.08 0.04 -0.71 0.74 -1.16 0.00 0.00 179.01 178.00 1rjj h PHE 82 N 0.06 0.80 -0.61 4.33 -1.00 -1.30 -2.90 116.94 116.32 1rjj h PHE 82 Ca 0.47 -0.34 -0.04 0.00 2.81 0.00 0.00 57.97 60.87 1rjj h PHE 82 Cb 1.76 -0.13 -0.03 0.00 3.61 0.00 0.00 35.95 41.16 1rjj h PHE 82 CO -0.00 1.13 0.23 0.77 -1.61 0.00 0.00 178.31 178.82 1rjj h SER 83 N 0.42 0.85 0.04 2.17 0.02 0.38 1.06 113.55 118.50 1rjj h SER 83 Ca -0.03 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1rjj h SER 83 Cb 1.30 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1rjj h SER 83 CO 0.14 0.80 -0.02 0.00 -1.14 0.00 0.00 176.83 176.61 1rjj h ALA 84 N 1.08 -0.05 -0.37 3.77 0.00 -1.48 -2.84 119.26 119.37 1rjj h ALA 84 Ca 0.20 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1rjj h ALA 84 Cb 0.23 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1rjj h ALA 84 CO -0.01 -0.42 -0.06 0.00 0.00 0.00 0.00 179.25 178.76 1rjj h ALA 85 N 0.68 0.51 -1.45 0.00 0.00 -1.38 -1.99 119.26 115.63 1rjj h ALA 85 Ca -0.01 -0.29 0.42 0.00 0.00 0.00 0.00 54.91 55.04 1rjj h ALA 85 Cb 0.25 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 1rjj h ALA 85 CO 0.01 0.33 1.03 0.74 0.00 0.00 0.00 179.25 181.36 1rjj h PHE 86 N 0.50 0.10 0.04 0.00 -1.00 0.13 0.60 116.94 117.30 1rjj h PHE 86 Ca 0.10 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.88 1rjj h PHE 86 Cb 0.55 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.09 1rjj h PHE 86 CO 0.05 -0.02 -0.02 1.15 -1.61 0.00 0.00 178.31 177.86 1rjj h THR 87 N 0.04 0.00 -0.80 -1.55 2.02 -1.13 -1.45 112.91 110.04 1rjj h THR 87 Ca 0.71 -0.63 0.23 0.00 0.77 0.00 0.00 66.41 67.49 1rjj h THR 87 Cb 2.74 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 69.11 1rjj h THR 87 CO -0.07 0.00 1.18 0.00 0.37 0.00 0.00 175.52 177.00 1rjj h ALA 88 N -1.34 2.76 -0.21 6.16 0.00 -0.73 2.32 119.26 128.21 1rjj h ALA 88 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1rjj h ALA 88 Cb 0.04 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1rjj h ALA 88 CO 0.01 -1.59 0.00 1.33 0.00 0.00 0.00 179.25 179.00 1rjj n VAL 89 N -3.08 0.69 -4.42 0.00 0.24 0.02 -4.84 118.33 106.94 1rjj n VAL 89 Ca 0.18 -0.85 -0.27 0.00 -2.04 0.00 0.00 64.34 61.37 1rjj n VAL 89 Cb 1.42 0.72 -0.12 0.00 -1.47 0.00 0.00 33.84 34.39 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 -0.94 2.35 -0.17 1.34 1.01 0.78 -4.47 121.20 121.10 1rjj s ILE 90 Ca 0.17 -2.06 0.13 0.00 0.00 0.00 0.00 60.65 58.90 1rjj s ILE 90 Cb 0.10 -2.13 -0.20 0.00 0.01 0.00 0.00 42.46 40.24 1rjj s ILE 90 CO 0.13 -0.14 0.02 -0.67 0.00 0.00 0.00 174.94 174.28 1rjj n ASP 91 N 0.20 1.09 -3.74 3.58 2.03 0.87 -4.65 116.55 115.93 1rjj n ASP 91 Ca -0.12 -0.02 -0.14 0.00 0.52 0.00 0.00 54.79 55.04 1rjj n ASP 91 Cb 0.56 0.73 -0.09 0.00 -0.72 0.00 0.00 41.12 41.61 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 -2.41 0.68 -0.13 -0.67 -2.85 -1.22 -4.93 119.74 108.21 1rjj s LYS 92 Ca -0.11 -0.11 0.01 0.00 -1.00 0.00 0.00 55.97 54.76 1rjj s LYS 92 Cb 0.05 0.31 0.02 0.00 -2.06 0.00 0.00 37.83 36.15 1rjj s LYS 92 CO 0.66 -0.19 -0.14 -1.50 0.10 0.00 0.00 175.35 174.28 1rjj s ILE 93 N -1.21 1.49 -0.04 3.79 1.10 -1.26 -3.59 121.20 121.48 1rjj s ILE 93 Ca -0.12 -0.60 0.03 0.00 -0.51 0.00 0.00 60.65 59.44 1rjj s ILE 93 Cb -0.05 -1.40 0.01 0.00 0.15 0.00 0.00 42.46 41.17 1rjj s ILE 93 CO 0.04 0.44 -0.12 -0.69 -2.11 0.00 0.00 174.94 172.51 1rjj s VAL 94 N 1.33 1.03 -0.01 4.00 1.01 -0.77 -4.97 120.40 122.02 1rjj s VAL 94 Ca 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1rjj s VAL 94 Cb -0.14 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.33 1rjj s VAL 94 CO -0.07 0.32 0.00 -0.76 0.00 0.00 0.00 175.10 174.59 1rjj s LEU 95 N 0.34 1.72 -0.19 3.92 1.02 -1.26 0.90 118.68 125.14 1rjj s LEU 95 Ca -0.07 -0.00 -0.01 0.00 0.02 0.00 0.00 54.13 54.07 1rjj s LEU 95 Cb -0.12 -0.06 0.00 0.00 0.02 0.00 0.00 46.19 46.04 1rjj s LEU 95 CO 0.02 -0.03 -0.13 -0.76 0.02 0.00 0.00 176.35 175.47 1rjj s LEU 96 N 0.32 2.51 -0.10 1.79 1.02 -0.67 -4.93 118.68 118.62 1rjj s LEU 96 Ca -0.03 -0.50 0.03 0.00 0.02 0.00 0.00 54.13 53.65 1rjj s LEU 96 Cb -0.04 -1.60 0.01 0.00 0.02 0.00 0.00 46.19 44.57 1rjj s LEU 96 CO -0.01 0.01 -0.19 -0.62 0.02 0.00 0.00 176.35 175.56 1rjj s ASP 97 N 1.24 2.65 -0.28 2.29 -1.08 -1.26 -2.31 116.67 117.93 1rjj s ASP 97 Ca 0.03 -0.48 -0.25 0.00 -0.52 0.00 0.00 52.55 51.33 1rjj s ASP 97 Cb -0.14 -1.21 0.10 0.00 -1.46 0.00 0.00 42.92 40.20 1rjj s ASP 97 CO -0.06 0.09 0.88 0.12 0.52 0.00 0.00 175.17 176.72 1rjj s PHE 98 N 0.62 -0.64 -0.28 -5.34 5.36 -1.12 -5.02 117.98 111.55 1rjj s PHE 98 Ca -0.14 1.54 -0.41 0.00 -0.96 0.00 0.00 56.93 56.97 1rjj s PHE 98 Cb -0.16 0.32 -0.16 0.00 -0.34 0.00 0.00 43.02 42.68 1rjj s PHE 98 CO 0.04 -0.31 1.70 -2.30 -1.46 0.00 0.00 175.22 172.90 1rjj n PRO 99 N 2.50 1.01 -4.22 10.12 -0.02 -1.26 -3.48 135.00 139.65 1rjj n PRO 99 Ca -0.13 0.37 -0.35 0.00 -2.02 0.00 0.00 63.50 61.37 1rjj n PRO 99 Cb 0.56 -2.03 -0.10 0.00 -0.02 0.00 0.00 33.50 31.91 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 3.31 4.52 -0.87 -1.45 1.01 -1.19 -4.78 120.40 120.94 1rjj s VAL 100 Ca 0.98 -0.15 -0.00 0.00 0.00 0.00 0.00 61.98 62.81 1rjj s VAL 100 Cb -1.12 -2.96 0.25 0.00 0.00 0.00 0.00 36.38 32.55 1rjj s VAL 100 CO 0.67 0.55 0.92 0.00 0.00 0.00 0.00 175.10 177.24 1rjj n ALA 101 N 2.71 4.16 -2.53 5.51 0.00 -1.26 -2.94 120.51 126.17 1rjj n ALA 101 Ca -0.18 -4.69 -0.42 0.00 0.00 0.00 0.00 53.44 48.16 1rjj n ALA 101 Cb 0.53 -1.64 -0.09 0.00 0.00 0.00 0.00 19.45 18.26 1rjj n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rjj s ALA 102 N -1.96 3.46 0.12 0.00 0.00 -1.26 -4.82 121.76 117.30 1rjj s ALA 102 Ca 0.31 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1rjj s ALA 102 Cb 0.01 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1rjj s ALA 102 CO -0.05 -1.31 0.00 1.33 0.00 0.00 0.00 175.76 175.73 1rjj n VAL 103 N 5.38 0.17 0.00 0.00 0.24 -1.26 -4.94 118.33 117.91 1rjj n VAL 103 Ca -0.07 0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1rjj n VAL 103 Cb 0.49 -0.79 0.00 0.00 -1.47 0.00 0.00 33.84 32.06 1rjj n VAL 103 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1rjj n LYS 104 N -3.06 0.00 0.00 7.34 4.76 -1.23 -4.79 118.16 121.18 1rjj n LYS 104 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1rjj n LYS 104 Cb 0.07 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.26 1rjj n LYS 104 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1rjj n SER 105 N 5.12 0.00 0.00 4.39 7.64 -1.26 -2.97 113.62 126.54 1rjj n SER 105 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1rjj n SER 105 Cb 0.00 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 1rjj n SER 105 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1rjj n SER 106 N 0.00 0.00 -3.84 6.43 2.88 -1.26 -5.13 113.62 112.70 1rjj n SER 106 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1rjj n SER 106 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 1rjj n SER 106 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1rjj s VAL 107 N 0.00 0.04 -0.04 2.46 1.01 -1.16 -5.03 120.40 117.68 1rjj s VAL 107 Ca 0.00 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.68 1rjj s VAL 107 Cb 0.00 -0.36 0.09 0.00 0.00 0.00 0.00 36.38 36.11 1rjj s VAL 107 CO 0.00 -0.20 1.01 0.55 0.00 0.00 0.00 175.10 176.47 1rjj n VAL 108 N 2.16 1.17 -1.73 2.92 3.14 -1.26 -3.57 118.33 121.17 1rjj n VAL 108 Ca -0.18 -1.29 -0.42 0.00 -2.96 0.00 0.00 64.34 59.49 1rjj n VAL 108 Cb 0.57 0.30 -0.01 0.00 -1.06 0.00 0.00 33.84 33.64 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 -0.74 2.03 -3.32 1.55 0.00 -1.26 -4.94 120.51 113.83 1rjj n ALA 109 Ca 0.05 0.37 -0.25 0.00 0.00 0.00 0.00 53.44 53.61 1rjj n ALA 109 Cb 0.41 -2.38 -0.08 0.00 0.00 0.00 0.00 19.45 17.39 1rjj n ALA 109 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1rjj n THR 110 N 1.47 0.36 0.00 0.00 -1.04 -1.26 -5.12 114.28 108.68 1rjj n THR 110 Ca 0.07 -4.39 0.00 0.00 -2.04 0.00 0.00 64.05 57.69 1rjj n THR 110 Cb 0.36 -1.99 0.00 0.00 -1.82 0.00 0.00 70.33 66.88 1rjj n THR 110 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78