#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 -2.86 0.93 -5.12 0.00 -1.26 -4.91 120.51 107.29 1rjj n ALA 2 Ca 0.00 0.83 0.12 0.00 0.00 0.00 0.00 53.44 54.39 1rjj n ALA 2 Cb 0.00 -3.12 0.11 0.00 0.00 0.00 0.00 19.45 16.44 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 -0.71 0.04 0.00 0.00 5.66 -1.26 -4.91 114.28 113.10 1rjj n THR 3 Ca 0.08 -0.52 0.00 0.00 -3.05 0.00 0.00 64.05 60.56 1rjj n THR 3 Cb 0.48 1.45 0.00 0.00 -1.55 0.00 0.00 70.33 70.71 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 1.36 0.00 -4.23 1.09 7.64 -1.25 -4.92 113.62 113.30 1rjj n SER 4 Ca 0.14 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.80 1rjj n SER 4 Cb 0.60 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.71 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 2.28 -0.11 0.23 0.00 -1.10 -4.72 107.32 103.91 1rjj s GLY 5 Ca 0.00 -1.62 0.02 0.00 0.00 0.00 0.00 44.72 43.12 1rjj s GLY 5 CO 0.00 -1.77 -0.18 -0.12 0.00 0.00 0.00 173.10 171.03 1rjj s PHE 6 N -3.34 2.69 -0.15 1.90 2.19 -0.02 -2.09 117.98 119.16 1rjj s PHE 6 Ca 0.31 -0.73 -0.05 0.00 0.33 0.00 0.00 56.93 56.79 1rjj s PHE 6 Cb 0.05 -1.76 -0.04 0.00 -1.31 0.00 0.00 43.02 39.97 1rjj s PHE 6 CO 0.15 -0.24 0.03 0.21 1.83 0.00 0.00 175.22 177.21 1rjj s LYS 7 N 0.19 3.64 -0.10 10.12 2.20 -1.23 -0.69 119.74 133.86 1rjj s LYS 7 Ca -0.10 -0.38 0.02 0.00 -0.36 0.00 0.00 55.97 55.15 1rjj s LYS 7 Cb -0.16 -3.05 0.01 0.00 -1.51 0.00 0.00 37.83 33.13 1rjj s LYS 7 CO 0.06 0.41 -0.15 -1.01 -0.36 0.00 0.00 175.35 174.30 1rjj s HIS 8 N -0.04 1.92 0.01 4.03 3.76 0.30 -2.93 115.29 122.34 1rjj s HIS 8 Ca 0.05 -0.88 0.02 0.00 -0.15 0.00 0.00 55.06 54.10 1rjj s HIS 8 Cb -0.12 -1.39 -0.01 0.00 1.11 0.00 0.00 32.58 32.17 1rjj s HIS 8 CO 0.01 -0.45 -0.06 -1.17 -0.85 0.00 0.00 174.74 172.22 1rjj s LEU 9 N 0.95 2.09 -0.03 0.89 0.20 -0.96 0.10 118.68 121.92 1rjj s LEU 9 Ca -0.08 -0.25 0.04 0.00 0.69 0.00 0.00 54.13 54.53 1rjj s LEU 9 Cb -0.15 -0.23 -0.00 0.00 -0.43 0.00 0.00 46.19 45.37 1rjj s LEU 9 CO -0.01 -0.03 -0.15 0.54 -0.29 0.00 0.00 176.35 176.41 1rjj s VAL 10 N -0.55 1.26 -0.12 1.68 0.11 -0.75 -1.12 120.40 120.90 1rjj s VAL 10 Ca -0.02 -0.64 0.02 0.00 -2.93 0.00 0.00 61.98 58.41 1rjj s VAL 10 Cb -0.05 -1.08 -0.00 0.00 -1.53 0.00 0.00 36.38 33.73 1rjj s VAL 10 CO 0.00 0.36 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.25 1rjj s VAL 11 N -0.04 2.36 0.05 2.04 1.01 0.40 -1.94 120.40 124.27 1rjj s VAL 11 Ca -0.01 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 1rjj s VAL 11 Cb -0.09 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1rjj s VAL 11 CO 0.01 0.54 0.00 0.68 0.00 0.00 0.00 175.10 176.34 1rjj s VAL 12 N 0.53 0.20 0.18 2.92 -7.23 -0.97 -2.27 120.40 113.75 1rjj s VAL 12 Ca -0.12 -1.64 0.11 0.00 -1.81 0.00 0.00 61.98 58.51 1rjj s VAL 12 Cb -0.17 -1.40 -0.04 0.00 0.56 0.00 0.00 36.38 35.33 1rjj s VAL 12 CO 0.04 -0.91 -0.23 -0.54 -0.31 0.00 0.00 175.10 173.16 1rjj s LYS 13 N -3.71 1.45 -0.04 4.82 1.02 -1.23 -3.28 119.74 118.76 1rjj s LYS 13 Ca 0.05 -1.47 -0.02 0.00 0.02 0.00 0.00 55.97 54.54 1rjj s LYS 13 Cb 0.06 -1.73 -0.04 0.00 -0.52 0.00 0.00 37.83 35.60 1rjj s LYS 13 CO -0.09 0.38 0.11 -0.59 -0.92 0.00 0.00 175.35 174.23 1rjj s PHE 14 N -1.67 3.41 -0.04 3.18 -0.12 -1.26 0.36 117.98 121.83 1rjj s PHE 14 Ca 0.19 0.31 0.04 0.00 -0.05 0.00 0.00 56.93 57.41 1rjj s PHE 14 Cb -0.08 -1.81 -0.05 0.00 -0.63 0.00 0.00 43.02 40.46 1rjj s PHE 14 CO 0.09 0.61 0.02 0.36 -0.05 0.00 0.00 175.22 176.24 1rjj n LYS 15 N 1.37 3.22 -0.08 1.99 2.85 -1.26 -4.69 118.16 121.55 1rjj n LYS 15 Ca -0.14 -0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 56.99 1rjj n LYS 15 Cb 0.53 -1.10 -0.06 0.00 -0.65 0.00 0.00 35.03 33.75 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 -1.87 -3.49 114.58 112.46 1rjj h GLU 16 Ca -0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1rjj h GLU 16 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1rjj h GLU 16 CO 0.01 0.48 0.00 -0.25 -0.73 0.00 0.00 179.01 178.52 1rjj n ASP 17 N -4.55 0.00 -4.60 1.04 9.92 -1.26 -5.10 116.55 112.00 1rjj n ASP 17 Ca -0.17 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.66 1rjj n ASP 17 Cb 0.43 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.88 1rjj n ASP 17 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1rjj s THR 18 N 0.00 3.13 -0.96 -3.53 2.01 -1.26 -4.89 115.64 110.14 1rjj s THR 18 Ca 0.00 0.13 -0.24 0.00 0.31 0.00 0.00 61.69 61.89 1rjj s THR 18 Cb 0.00 -3.18 0.05 0.00 0.01 0.00 0.00 72.50 69.37 1rjj s THR 18 CO 0.00 -0.12 1.41 -0.54 -0.69 0.00 0.00 174.62 174.68 1rjj s LYS 19 N 6.26 3.50 0.39 4.92 3.01 -1.26 -4.82 119.74 131.74 1rjj s LYS 19 Ca 0.95 -0.93 0.08 0.00 -1.01 0.00 0.00 55.97 55.06 1rjj s LYS 19 Cb -0.29 -5.09 0.83 0.00 -1.01 0.00 0.00 37.83 32.27 1rjj s LYS 19 CO 0.34 -2.19 1.98 -0.39 0.51 0.00 0.00 175.35 175.60 1rjj h VAL 20 N 6.62 1.00 -0.57 3.17 -1.51 -1.98 -0.38 116.25 122.59 1rjj h VAL 20 Ca 0.09 -0.22 -0.10 0.00 -1.23 0.00 0.00 66.70 65.24 1rjj h VAL 20 Cb 1.02 0.31 -0.02 0.00 -2.13 0.00 0.00 31.29 30.47 1rjj h VAL 20 CO 1.39 0.12 -0.04 -2.24 -1.23 0.00 0.00 177.57 175.57 1rjj h ASP 21 N 0.64 1.02 0.31 4.19 2.03 -1.98 1.37 116.42 123.99 1rjj h ASP 21 Ca 0.28 -0.30 -0.13 0.00 -0.73 0.00 0.00 57.03 56.15 1rjj h ASP 21 Cb 0.29 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 38.50 1rjj h ASP 21 CO -0.09 1.09 -0.52 -0.33 -1.03 0.00 0.00 179.24 178.36 1rjj h GLU 22 N 0.94 0.24 -0.35 4.15 5.08 -1.71 -1.15 114.58 121.78 1rjj h GLU 22 Ca 0.16 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 1rjj h GLU 22 Cb 0.59 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1rjj h GLU 22 CO 0.04 0.71 -0.20 0.82 -1.00 0.00 0.00 179.01 179.37 1rjj h ILE 23 N 0.19 1.29 -0.97 3.13 1.08 -0.56 -2.67 117.51 119.01 1rjj h ILE 23 Ca 0.01 -1.33 0.10 0.00 -0.39 0.00 0.00 64.86 63.25 1rjj h ILE 23 Cb 0.98 1.40 -0.07 0.00 -3.07 0.00 0.00 36.82 36.05 1rjj h ILE 23 CO 0.08 0.43 0.62 0.25 -0.69 0.00 0.00 178.15 178.84 1rjj h LEU 24 N 0.53 0.90 -2.52 1.44 5.85 0.24 0.74 115.31 122.49 1rjj h LEU 24 Ca 0.07 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1rjj h LEU 24 Cb 0.75 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 1rjj h LEU 24 CO 0.06 0.51 -0.00 0.07 -0.34 0.00 0.00 178.44 178.74 1rjj h LYS 25 N 0.98 0.00 0.10 1.25 5.09 -0.87 -0.14 116.57 122.97 1rjj h LYS 25 Ca 0.46 0.00 -0.18 0.00 0.09 0.00 0.00 60.65 61.02 1rjj h LYS 25 Cb 0.42 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.76 1rjj h LYS 25 CO -0.22 0.00 -0.85 0.78 -2.09 0.00 0.00 179.45 177.07 1rjj h GLY 26 N 0.01 0.23 -0.09 0.07 0.00 0.42 -3.19 103.07 100.53 1rjj h GLY 26 Ca -0.00 -0.59 0.09 0.00 0.00 0.00 0.00 47.33 46.83 1rjj h GLY 26 CO 0.00 0.52 -0.24 -2.00 0.00 0.00 0.00 176.54 174.82 1rjj h LEU 27 N -0.53 -0.80 -0.99 3.11 6.46 0.81 0.79 115.31 124.16 1rjj h LEU 27 Ca -0.17 0.17 0.15 0.00 -0.12 0.00 0.00 57.88 57.91 1rjj h LEU 27 Cb 1.52 0.42 -0.10 0.00 -0.73 0.00 0.00 40.66 41.77 1rjj h LEU 27 CO 0.07 -0.26 0.60 1.05 -0.62 0.00 0.00 178.44 179.28 1rjj h GLU 28 N -0.15 0.83 -0.64 1.25 4.11 -1.29 0.73 114.58 119.41 1rjj h GLU 28 Ca 0.20 -0.05 0.03 0.00 0.07 0.00 0.00 59.36 59.61 1rjj h GLU 28 Cb 0.47 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1rjj h GLU 28 CO -0.53 0.55 0.40 -0.91 0.07 0.00 0.00 179.01 178.59 1rjj h ASN 29 N 0.85 0.65 -0.75 3.06 2.35 0.42 -0.94 115.58 121.22 1rjj h ASN 29 Ca 0.53 0.00 0.17 0.00 -0.55 0.00 0.00 56.30 56.46 1rjj h ASN 29 Cb 0.69 -0.14 -0.12 0.00 0.05 0.00 0.00 38.32 38.80 1rjj h ASN 29 CO -0.33 0.45 0.08 0.25 -1.65 0.00 0.00 177.43 176.24 1rjj h LEU 30 N 0.78 -0.19 -1.85 1.61 7.12 0.39 1.41 115.31 124.58 1rjj h LEU 30 Ca 0.26 0.18 0.24 0.00 0.13 0.00 0.00 57.88 58.69 1rjj h LEU 30 Cb 0.02 0.29 -0.03 0.00 -0.53 0.00 0.00 40.66 40.41 1rjj h LEU 30 CO -0.11 -0.13 0.73 0.58 -0.13 0.00 0.00 178.44 179.38 1rjj h VAL 31 N 0.16 0.35 -0.88 1.05 2.07 -0.50 0.14 116.25 118.64 1rjj h VAL 31 Ca 0.42 0.00 0.21 0.00 0.82 0.00 0.00 66.70 68.15 1rjj h VAL 31 Cb 0.76 0.46 -0.16 0.00 -1.52 0.00 0.00 31.29 30.82 1rjj h VAL 31 CO -0.61 0.00 -0.07 -1.28 0.02 0.00 0.00 177.57 175.63 1rjj h SER 32 N 0.00 -0.57 1.07 0.57 0.87 0.19 1.40 113.55 117.09 1rjj h SER 32 Ca 0.39 0.25 -0.04 0.00 -1.23 0.00 0.00 61.79 61.16 1rjj h SER 32 Cb 1.84 0.47 -0.01 0.00 -0.44 0.00 0.00 62.40 64.26 1rjj h SER 32 CO -0.00 -0.28 -0.21 1.56 -0.53 0.00 0.00 176.83 177.37 1rjj h GLN 33 N 0.04 0.00 -0.97 2.24 1.08 -0.85 -3.15 115.11 113.50 1rjj h GLN 33 Ca 0.48 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.65 1rjj h GLN 33 Cb 0.86 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.27 1rjj h GLN 33 CO -0.84 0.21 0.03 -0.89 -0.95 0.00 0.00 178.83 176.39 1rjj n ILE 34 N -3.32 0.72 0.03 2.54 5.41 0.48 -3.83 119.36 121.39 1rjj n ILE 34 Ca 0.01 -0.21 0.02 0.00 1.00 0.00 0.00 62.75 63.56 1rjj n ILE 34 Cb 0.45 -0.65 0.10 0.00 -0.71 0.00 0.00 39.64 38.84 1rjj n ILE 34 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1rjj n ASP 35 N 0.16 0.10 0.00 4.38 8.00 -1.16 0.17 116.55 128.20 1rjj n ASP 35 Ca 0.05 0.51 0.16 0.00 0.71 0.00 0.00 54.79 56.22 1rjj n ASP 35 Cb 0.48 -0.52 0.91 0.00 -0.02 0.00 0.00 41.12 41.97 1rjj n ASP 35 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1rjj n THR 36 N -1.61 0.00 -2.51 -3.53 -2.24 -1.25 -4.85 114.28 98.30 1rjj n THR 36 Ca -0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1rjj n THR 36 Cb 0.04 -0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 67.76 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 -1.05 0.00 -2.15 2.28 0.24 0.46 -4.66 118.33 113.45 1rjj n VAL 37 Ca 0.22 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.27 1rjj n VAL 37 Cb 0.13 -0.10 0.01 0.00 -1.47 0.00 0.00 33.84 32.42 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 -2.27 3.57 -3.72 7.34 5.02 -1.26 -5.02 118.16 121.82 1rjj n LYS 38 Ca 0.02 -4.26 -0.00 0.00 -2.02 0.00 0.00 58.31 52.05 1rjj n LYS 38 Cb 0.38 -2.27 -0.00 0.00 -0.02 0.00 0.00 35.03 33.11 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 -3.58 -0.07 0.11 4.39 0.15 -1.26 -1.06 113.70 112.38 1rjj s SER 39 Ca 0.50 -0.26 -0.11 0.00 0.70 0.00 0.00 55.95 56.78 1rjj s SER 39 Cb 0.41 0.27 0.01 0.00 -1.71 0.00 0.00 66.02 65.00 1rjj s SER 39 CO -0.02 -0.52 0.26 -0.36 1.20 0.00 0.00 173.24 173.80 1rjj s PHE 40 N -2.56 0.10 -0.21 3.44 0.08 0.11 -4.95 117.98 113.99 1rjj s PHE 40 Ca 0.16 -0.50 -0.05 0.00 0.12 0.00 0.00 56.93 56.66 1rjj s PHE 40 Cb 0.02 0.03 0.11 0.00 -0.57 0.00 0.00 43.02 42.60 1rjj s PHE 40 CO -0.01 -0.62 0.41 -1.21 -0.10 0.00 0.00 175.22 173.69 1rjj s GLU 41 N -3.87 0.33 0.24 0.44 2.02 -1.25 -0.73 118.70 115.87 1rjj s GLU 41 Ca 0.07 0.87 0.06 0.00 0.02 0.00 0.00 54.97 55.99 1rjj s GLU 41 Cb 0.04 0.08 -0.04 0.00 0.10 0.00 0.00 34.13 34.31 1rjj s GLU 41 CO -0.09 -0.38 0.22 -0.46 0.02 0.00 0.00 175.26 174.57 1rjj s TRP 42 N 2.59 3.18 0.15 1.61 -0.11 -1.05 -4.95 118.94 120.36 1rjj s TRP 42 Ca 0.03 -0.08 0.11 0.00 1.22 0.00 0.00 56.10 57.38 1rjj s TRP 42 Cb -0.13 -1.45 -0.04 0.00 -1.50 0.00 0.00 33.47 30.35 1rjj s TRP 42 CO -0.14 0.51 -0.23 0.20 -4.62 0.00 0.00 176.95 172.67 1rjj s GLY 43 N -3.75 1.65 -0.16 5.86 0.00 -1.26 -3.03 107.32 106.63 1rjj s GLY 43 Ca 0.33 -1.49 -0.10 0.00 0.00 0.00 0.00 44.72 43.45 1rjj s GLY 43 CO 0.26 -1.49 0.39 -0.54 0.00 0.00 0.00 173.10 171.71 1rjj s GLU 44 N -2.30 0.40 -0.43 2.90 2.02 -1.08 -5.00 118.70 115.21 1rjj s GLU 44 Ca 0.17 0.68 0.06 0.00 0.02 0.00 0.00 54.97 55.91 1rjj s GLU 44 Cb -0.09 0.05 0.18 0.00 0.10 0.00 0.00 34.13 34.36 1rjj s GLU 44 CO 0.09 -0.12 0.57 0.16 0.02 0.00 0.00 175.26 175.97 1rjj s ASP 45 N 0.98 -0.62 0.55 -0.19 -4.77 -1.26 -0.77 116.67 110.58 1rjj s ASP 45 Ca -0.06 -1.42 -0.15 0.00 -3.30 0.00 0.00 52.55 47.61 1rjj s ASP 45 Cb -0.07 1.41 -0.06 0.00 -1.09 0.00 0.00 42.92 43.11 1rjj s ASP 45 CO -0.08 -0.16 1.01 -1.59 0.70 0.00 0.00 175.17 175.05 1rjj s LYS 46 N 1.33 3.76 -0.43 2.11 0.00 -1.21 -4.95 119.74 120.34 1rjj s LYS 46 Ca 0.21 0.97 0.08 0.00 0.00 0.00 0.00 55.97 57.23 1rjj s LYS 46 Cb -0.05 -2.10 0.33 0.00 0.00 0.00 0.00 37.83 36.01 1rjj s LYS 46 CO -0.06 -0.43 1.06 0.39 0.00 0.00 0.00 175.35 176.30 1rjj n GLU 47 N -1.87 1.03 -3.64 1.78 1.02 -1.26 -4.76 120.64 112.94 1rjj n GLU 47 Ca 0.07 -2.24 -0.06 0.00 -0.02 0.00 0.00 57.16 54.91 1rjj n GLU 47 Cb 0.54 -1.10 -0.07 0.00 -0.02 0.00 0.00 31.44 30.79 1rjj n GLU 47 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1rjj s SER 48 N -1.54 -0.30 0.09 1.62 1.04 -1.26 -5.07 113.70 108.28 1rjj s SER 48 Ca 0.26 0.56 0.00 0.00 0.48 0.00 0.00 55.95 57.25 1rjj s SER 48 Cb 0.31 0.67 0.00 0.00 0.10 0.00 0.00 66.02 67.10 1rjj s SER 48 CO -0.06 -0.09 0.00 1.41 0.98 0.00 0.00 173.24 175.48 1rjj n HIS 49 N 2.23 -4.82 -0.24 5.02 8.25 -1.26 -2.46 115.22 121.95 1rjj n HIS 49 Ca -0.13 2.88 0.00 0.00 -0.26 0.00 0.00 57.72 60.21 1rjj n HIS 49 Cb 0.56 -3.77 0.12 0.00 1.12 0.00 0.00 29.99 28.02 1rjj n HIS 49 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 1rjj h ASP 50 N 4.22 0.49 -0.56 0.41 3.58 -1.99 2.81 116.42 125.37 1rjj h ASP 50 Ca 0.00 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1rjj h ASP 50 Cb 0.00 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 40.98 1rjj h ASP 50 CO 0.00 0.30 0.36 0.24 -2.88 0.00 0.00 179.24 177.26 1rjj h MET 51 N 0.63 0.76 0.00 0.28 2.86 -1.97 -0.97 114.93 116.51 1rjj h MET 51 Ca 0.33 -0.05 -0.28 0.00 -2.06 0.00 0.00 59.70 57.63 1rjj h MET 51 Cb 0.30 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.74 1rjj h MET 51 CO -0.24 0.52 -1.86 1.28 1.06 0.00 0.00 176.91 177.67 1rjj n LEU 52 N -4.43 0.59 0.00 1.22 4.77 -0.53 -4.02 117.00 114.60 1rjj n LEU 52 Ca 0.05 0.28 0.11 0.00 -0.03 0.00 0.00 56.01 56.42 1rjj n LEU 52 Cb 0.06 0.24 0.65 0.00 -2.33 0.00 0.00 43.42 42.04 1rjj n LEU 52 CO 0.36 0.37 0.90 -1.14 -1.33 0.00 0.00 177.39 176.55 1rjj n ARG 53 N -2.91 0.95 0.00 3.23 0.63 0.93 -4.80 116.66 114.69 1rjj n ARG 53 Ca -0.20 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.73 1rjj n ARG 53 Cb 1.03 -1.36 0.00 0.00 0.45 0.00 0.00 32.46 32.58 1rjj n ARG 53 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1rjj n GLN 54 N -0.86 -0.33 0.00 -0.14 6.02 -0.40 -2.20 117.38 119.47 1rjj n GLN 54 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 1rjj n GLN 54 Cb 0.07 -0.94 0.00 0.00 1.02 0.00 0.00 30.24 30.40 1rjj n GLN 54 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rjj n GLY 55 N 0.52 2.14 0.00 1.08 0.00 -1.25 -4.97 105.19 102.71 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 -0.92 0.00 0.00 1.61 3.72 -0.94 -5.03 117.46 115.90 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 0.25 -0.05 0.00 0.00 176.76 176.96 1rjj n THR 57 N 0.00 0.00 -3.58 4.37 -2.24 -1.24 -4.98 114.28 106.61 1rjj n THR 57 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 1rjj n THR 57 Cb 0.00 -0.36 -0.02 0.00 -2.10 0.00 0.00 70.33 67.85 1rjj n THR 57 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1rjj s HIS 58 N -1.83 -0.17 0.26 4.78 -3.43 -1.21 -3.35 115.29 110.33 1rjj s HIS 58 Ca 0.00 0.12 -0.05 0.00 -0.80 0.00 0.00 55.06 54.32 1rjj s HIS 58 Cb 0.00 0.52 -0.02 0.00 -1.43 0.00 0.00 32.58 31.65 1rjj s HIS 58 CO 0.00 -0.27 0.34 0.00 -2.00 0.00 0.00 174.74 172.81 1rjj s ALA 59 N -2.50 0.60 -0.02 -1.38 0.00 0.05 -2.30 121.76 116.20 1rjj s ALA 59 Ca 0.08 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.67 1rjj s ALA 59 Cb -0.01 1.23 0.02 0.00 0.00 0.00 0.00 23.12 24.35 1rjj s ALA 59 CO -0.05 -0.74 -0.00 -0.06 0.00 0.00 0.00 175.76 174.91 1rjj s PHE 60 N -3.83 0.20 -0.42 0.00 0.08 -0.82 -2.62 117.98 110.58 1rjj s PHE 60 Ca 0.31 0.01 -0.06 0.00 0.12 0.00 0.00 56.93 57.32 1rjj s PHE 60 Cb 0.02 -0.26 0.10 0.00 -0.57 0.00 0.00 43.02 42.31 1rjj s PHE 60 CO 0.14 -0.07 0.23 0.45 -0.10 0.00 0.00 175.22 175.86 1rjj s SER 61 N 0.61 5.42 -0.22 1.36 0.15 -1.17 -1.80 113.70 118.06 1rjj s SER 61 Ca -0.06 -1.80 -0.12 0.00 0.70 0.00 0.00 55.95 54.68 1rjj s SER 61 Cb -0.09 -1.90 -0.05 0.00 -1.71 0.00 0.00 66.02 62.28 1rjj s SER 61 CO -0.01 -0.55 0.21 -0.04 1.20 0.00 0.00 173.24 174.05 1rjj s MET 62 N 1.28 4.12 0.02 5.44 -1.94 0.29 -2.55 119.30 125.96 1rjj s MET 62 Ca 0.05 -0.15 0.09 0.00 -1.71 0.00 0.00 55.69 53.97 1rjj s MET 62 Cb -0.23 -3.52 -0.03 0.00 2.01 0.00 0.00 34.83 33.06 1rjj s MET 62 CO -0.01 0.08 -0.26 0.99 -0.01 0.00 0.00 175.02 175.81 1rjj s THR 63 N 0.99 2.05 -0.06 2.05 2.01 0.09 0.11 115.64 122.88 1rjj s THR 63 Ca 0.10 -1.27 0.02 0.00 0.31 0.00 0.00 61.69 60.86 1rjj s THR 63 Cb -0.13 -1.74 0.01 0.00 0.01 0.00 0.00 72.50 70.65 1rjj s THR 63 CO 0.04 0.43 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.92 1rjj s PHE 64 N -0.73 1.38 0.50 4.92 0.08 0.13 0.05 117.98 124.32 1rjj s PHE 64 Ca 0.11 -0.49 0.21 0.00 0.12 0.00 0.00 56.93 56.88 1rjj s PHE 64 Cb -0.10 -1.02 1.28 0.00 -0.57 0.00 0.00 43.02 42.62 1rjj s PHE 64 CO 0.01 -0.25 2.01 0.93 -0.10 0.00 0.00 175.22 177.81 1rjj h GLU 65 N 6.91 0.11 -3.39 0.44 4.39 -1.41 -0.01 114.58 121.63 1rjj h GLU 65 Ca -0.32 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.33 1rjj h GLU 65 Cb 1.18 -0.02 -0.13 0.00 -0.10 0.00 0.00 28.75 29.68 1rjj h GLU 65 CO 0.48 0.07 -0.06 1.21 -1.16 0.00 0.00 179.01 179.54 1rjj s ASN 66 N -6.32 -0.24 0.65 1.42 2.47 -1.26 -4.49 114.94 107.17 1rjj s ASN 66 Ca -0.06 -0.33 0.41 0.00 0.42 0.00 0.00 52.86 53.30 1rjj s ASN 66 Cb 0.19 0.48 2.23 0.00 -1.45 0.00 0.00 41.25 42.71 1rjj s ASN 66 CO 0.73 -0.87 2.26 0.11 -3.72 0.00 0.00 177.10 175.60 1rjj h LYS 67 N 2.35 0.00 -0.95 0.43 1.57 -1.98 -2.71 116.57 115.27 1rjj h LYS 67 Ca -0.34 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.53 1rjj h LYS 67 Cb 1.26 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.50 1rjj h LYS 67 CO 0.46 0.00 0.61 -0.44 -0.57 0.00 0.00 179.45 179.51 1rjj h ASP 68 N 0.00 0.92 0.22 0.86 3.32 -1.96 0.84 116.42 120.62 1rjj h ASP 68 Ca 0.00 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 1rjj h ASP 68 Cb 0.12 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1rjj h ASP 68 CO 0.00 0.56 -0.33 1.23 -1.72 0.00 0.00 179.24 178.99 1rjj h GLY 69 N 1.03 0.19 0.79 2.75 0.00 -1.81 -1.41 103.07 104.62 1rjj h GLY 69 Ca 0.43 -0.15 -0.06 0.00 0.00 0.00 0.00 47.33 47.54 1rjj h GLY 69 CO -0.18 0.14 -0.14 -1.82 0.00 0.00 0.00 176.54 174.54 1rjj h TYR 70 N 0.15 0.50 0.00 5.60 3.20 -1.02 -1.84 116.97 123.57 1rjj h TYR 70 Ca 0.02 -0.14 -0.10 0.00 3.14 0.00 0.00 58.73 61.65 1rjj h TYR 70 Cb 0.66 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 1rjj h TYR 70 CO 0.01 0.76 -0.48 -0.39 -1.64 0.00 0.00 178.16 176.41 1rjj h VAL 71 N 0.09 1.24 0.69 1.81 -1.51 -1.17 -2.68 116.25 114.72 1rjj h VAL 71 Ca 0.04 -1.71 -0.03 0.00 -1.23 0.00 0.00 66.70 63.76 1rjj h VAL 71 Cb 0.65 1.95 0.01 0.00 -2.13 0.00 0.00 31.29 31.77 1rjj h VAL 71 CO 0.04 0.47 -0.33 0.00 -1.23 0.00 0.00 177.57 176.52 1rjj h ALA 72 N 1.52 -1.00 -0.65 5.19 0.00 -1.11 -1.28 119.26 121.93 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 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 1rjj h ALA 72 CO 0.06 -0.93 0.45 0.35 0.00 0.00 0.00 179.25 179.18 1rjj h PHE 73 N -1.16 0.24 -0.00 0.00 3.57 -1.37 -0.91 116.94 117.30 1rjj h PHE 73 Ca -0.10 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.24 1rjj h PHE 73 Cb 0.71 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 1rjj h PHE 73 CO 0.02 0.09 -0.80 1.79 -2.23 0.00 0.00 178.31 177.18 1rjj h THR 74 N 0.20 1.52 -0.00 4.41 1.35 -1.32 -3.12 112.91 115.95 1rjj h THR 74 Ca 0.31 -2.59 0.00 0.00 -0.55 0.00 0.00 66.41 63.58 1rjj h THR 74 Cb 0.95 2.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.78 1rjj h THR 74 CO -0.06 0.75 -0.01 -0.24 -0.25 0.00 0.00 175.52 175.71 1rjj n SER 75 N -3.65 0.33 -4.68 5.36 2.88 -0.37 -4.77 113.62 108.73 1rjj n SER 75 Ca -0.02 -1.01 -0.37 0.00 -1.33 0.00 0.00 58.87 56.14 1rjj n SER 75 Cb 0.76 -0.02 -0.08 0.00 -0.75 0.00 0.00 64.21 64.11 1rjj n SER 75 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1rjj s HIS 76 N -2.07 3.36 0.22 0.66 4.02 -1.09 -4.93 115.29 115.47 1rjj s HIS 76 Ca 0.43 0.40 0.01 0.00 1.02 0.00 0.00 55.06 56.93 1rjj s HIS 76 Cb 0.22 -2.34 0.08 0.00 -1.02 0.00 0.00 32.58 29.51 1rjj s HIS 76 CO 0.38 0.09 0.77 -2.30 1.02 0.00 0.00 174.74 174.70 1rjj n PRO 77 N 4.16 0.02 0.18 8.40 -0.02 -1.26 -0.50 135.00 145.98 1rjj n PRO 77 Ca -0.13 0.41 0.03 0.00 -2.02 0.00 0.00 63.50 61.79 1rjj n PRO 77 Cb 0.52 -2.21 0.34 0.00 -0.02 0.00 0.00 33.50 32.13 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 -1.91 -2.83 115.31 119.05 1rjj h LEU 78 Ca 0.00 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.48 1rjj h LEU 78 Cb 1.30 0.00 0.03 0.00 0.37 0.00 0.00 40.66 42.36 1rjj h LEU 78 CO 0.00 0.40 -1.07 -0.74 -0.34 0.00 0.00 178.44 176.70 1rjj h HIS 79 N 0.00 0.72 0.84 1.25 2.76 -0.97 -2.56 115.15 117.20 1rjj h HIS 79 Ca -0.00 -0.52 -0.04 0.00 -2.20 0.00 0.00 60.37 57.60 1rjj h HIS 79 Cb 0.75 -0.03 0.01 0.00 1.55 0.00 0.00 27.41 29.69 1rjj h HIS 79 CO 0.00 1.41 -0.40 0.28 -1.30 0.00 0.00 177.93 177.92 1rjj h VAL 80 N -0.16 0.00 -0.94 5.26 2.07 -1.70 1.79 116.25 122.56 1rjj h VAL 80 Ca -0.19 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.28 1rjj h VAL 80 Cb 1.84 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.55 1rjj h VAL 80 CO 0.20 0.00 0.62 -0.33 0.02 0.00 0.00 177.57 178.08 1rjj h GLU 81 N -1.24 1.09 -0.13 1.57 5.08 -1.67 -0.47 114.58 118.83 1rjj h GLU 81 Ca -0.11 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.01 1rjj h GLU 81 Cb 0.86 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 29.87 1rjj h GLU 81 CO 0.19 0.72 -0.57 0.35 -1.00 0.00 0.00 179.01 178.70 1rjj h PHE 82 N 1.13 0.82 -0.86 4.33 3.57 -1.31 -3.04 116.94 121.58 1rjj h PHE 82 Ca 0.40 -0.36 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 1rjj h PHE 82 Cb 0.12 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 1rjj h PHE 82 CO -0.00 1.15 0.43 0.77 -2.23 0.00 0.00 178.31 178.43 1rjj h SER 83 N 0.26 1.11 -0.06 0.41 0.02 0.33 1.17 113.55 116.79 1rjj h SER 83 Ca -0.04 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1rjj h SER 83 Cb 1.21 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 63.46 1rjj h SER 83 CO 0.12 0.92 0.04 0.00 -1.14 0.00 0.00 176.83 176.77 1rjj h ALA 84 N 1.25 0.08 -0.28 3.77 0.00 -1.13 -2.28 119.26 120.66 1rjj h ALA 84 Ca 0.30 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 1rjj h ALA 84 Cb 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1rjj h ALA 84 CO -0.04 -0.42 -0.36 0.00 0.00 0.00 0.00 179.25 178.43 1rjj h ALA 85 N 1.00 0.42 -1.38 0.00 0.00 -1.36 -2.46 119.26 115.49 1rjj h ALA 85 Ca 0.02 -0.43 0.40 0.00 0.00 0.00 0.00 54.91 54.90 1rjj h ALA 85 Cb 0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 1rjj h ALA 85 CO -0.00 0.50 0.98 0.35 0.00 0.00 0.00 179.25 181.08 1rjj h PHE 86 N 0.49 0.06 0.00 0.00 3.57 0.17 0.18 116.94 121.42 1rjj h PHE 86 Ca 0.04 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1rjj h PHE 86 Cb 0.94 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.67 1rjj h PHE 86 CO 0.07 -0.01 -0.03 1.15 -2.23 0.00 0.00 178.31 177.27 1rjj h THR 87 N 0.03 0.00 -1.74 4.41 2.02 -1.00 -2.77 112.91 113.85 1rjj h THR 87 Ca 0.67 -0.73 0.50 0.00 0.77 0.00 0.00 66.41 67.63 1rjj h THR 87 Cb 2.61 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 68.95 1rjj h THR 87 CO -0.04 0.00 1.28 0.00 0.37 0.00 0.00 175.52 177.13 1rjj n ALA 88 N -2.62 1.67 -0.33 6.16 0.00 -0.13 0.35 120.51 125.61 1rjj n ALA 88 Ca -0.00 0.57 0.10 0.00 0.00 0.00 0.00 53.44 54.11 1rjj n ALA 88 Cb 0.01 -1.00 0.27 0.00 0.00 0.00 0.00 19.45 18.73 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 -3.69 1.06 -4.42 0.00 0.24 0.46 -4.77 118.33 107.21 1rjj n VAL 89 Ca 0.39 -1.02 -0.27 0.00 -2.04 0.00 0.00 64.34 61.40 1rjj n VAL 89 Cb 1.80 0.47 -0.12 0.00 -1.47 0.00 0.00 33.84 34.53 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 -1.07 2.37 -0.21 1.34 1.09 1.10 -4.41 121.20 121.42 1rjj s ILE 90 Ca 0.41 -2.04 0.10 0.00 -1.10 0.00 0.00 60.65 58.01 1rjj s ILE 90 Cb 0.22 -2.14 -0.20 0.00 -1.06 0.00 0.00 42.46 39.28 1rjj s ILE 90 CO 0.27 -0.13 -0.06 -0.67 -0.10 0.00 0.00 174.94 174.24 1rjj n ASP 91 N 0.22 1.17 -3.80 3.58 2.03 1.11 -4.53 116.55 116.32 1rjj n ASP 91 Ca -0.12 -0.06 -0.12 0.00 0.52 0.00 0.00 54.79 55.00 1rjj n ASP 91 Cb 0.56 0.34 -0.09 0.00 -0.72 0.00 0.00 41.12 41.21 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 -2.47 0.56 -0.10 -0.67 -2.85 -1.21 -4.92 119.74 108.08 1rjj s LYS 92 Ca -0.20 -0.19 0.01 0.00 -1.00 0.00 0.00 55.97 54.59 1rjj s LYS 92 Cb 0.07 0.24 0.02 0.00 -2.06 0.00 0.00 37.83 36.10 1rjj s LYS 92 CO 0.67 -0.14 -0.13 -1.50 0.10 0.00 0.00 175.35 174.35 1rjj s ILE 93 N -1.16 1.32 -0.02 3.79 1.10 -1.26 -3.55 121.20 121.42 1rjj s ILE 93 Ca -0.12 -0.53 0.02 0.00 -0.51 0.00 0.00 60.65 59.50 1rjj s ILE 93 Cb -0.06 -1.23 0.00 0.00 0.15 0.00 0.00 42.46 41.33 1rjj s ILE 93 CO 0.03 0.41 -0.07 -0.69 -2.11 0.00 0.00 174.94 172.51 1rjj s VAL 94 N 1.07 0.58 -0.01 4.00 1.01 -0.96 -4.98 120.40 121.10 1rjj s VAL 94 Ca -0.06 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1rjj s VAL 94 Cb -0.15 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.72 1rjj s VAL 94 CO -0.02 0.19 -0.01 -0.76 0.00 0.00 0.00 175.10 174.50 1rjj s LEU 95 N 0.19 1.82 -0.24 3.92 1.02 -1.26 -0.46 118.68 123.68 1rjj s LEU 95 Ca -0.02 -0.02 -0.04 0.00 0.02 0.00 0.00 54.13 54.07 1rjj s LEU 95 Cb -0.07 -0.10 0.00 0.00 0.02 0.00 0.00 46.19 46.04 1rjj s LEU 95 CO -0.00 -0.01 -0.03 -0.76 0.02 0.00 0.00 176.35 175.57 1rjj s LEU 96 N 0.19 3.11 -0.11 1.79 1.02 -0.28 -4.93 118.68 119.47 1rjj s LEU 96 Ca -0.02 -0.55 0.02 0.00 0.02 0.00 0.00 54.13 53.61 1rjj s LEU 96 Cb -0.03 -1.74 0.01 0.00 0.02 0.00 0.00 46.19 44.45 1rjj s LEU 96 CO -0.01 -0.07 -0.18 -0.62 0.02 0.00 0.00 176.35 175.50 1rjj s ASP 97 N 1.45 2.60 -0.28 2.29 2.15 -1.26 -2.27 116.67 121.35 1rjj s ASP 97 Ca 0.04 -0.47 -0.23 0.00 0.43 0.00 0.00 52.55 52.32 1rjj s ASP 97 Cb -0.15 -1.18 0.12 0.00 -0.30 0.00 0.00 42.92 41.41 1rjj s ASP 97 CO -0.03 0.06 1.00 0.12 -0.17 0.00 0.00 175.17 176.15 1rjj s PHE 98 N 0.80 -0.52 -0.13 -5.34 2.19 -1.15 -5.03 117.98 108.80 1rjj s PHE 98 Ca -0.10 1.20 -0.39 0.00 0.33 0.00 0.00 56.93 57.97 1rjj s PHE 98 Cb -0.16 0.37 -0.16 0.00 -1.31 0.00 0.00 43.02 41.76 1rjj s PHE 98 CO 0.01 -0.25 1.56 -2.30 1.83 0.00 0.00 175.22 176.07 1rjj n PRO 99 N 2.58 1.10 -4.87 10.12 -0.02 -1.26 -3.54 135.00 139.11 1rjj n PRO 99 Ca -0.14 0.40 -0.33 0.00 -2.02 0.00 0.00 63.50 61.41 1rjj n PRO 99 Cb 0.56 -2.06 -0.13 0.00 -0.02 0.00 0.00 33.50 31.85 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 2.18 3.06 -0.91 -1.45 1.01 -0.89 -4.94 120.40 118.47 1rjj s VAL 100 Ca 0.93 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 1rjj s VAL 100 Cb -1.04 -2.21 0.23 0.00 0.00 0.00 0.00 36.38 33.37 1rjj s VAL 100 CO 0.58 0.57 0.86 0.00 0.00 0.00 0.00 175.10 177.11 1rjj n ALA 101 N 2.24 3.95 -1.48 5.51 0.00 -1.26 -2.69 120.51 126.77 1rjj n ALA 101 Ca -0.17 -4.63 -0.16 0.00 0.00 0.00 0.00 53.44 48.48 1rjj n ALA 101 Cb 0.52 -1.74 -0.14 0.00 0.00 0.00 0.00 19.45 18.09 1rjj n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rjj n ALA 102 N 2.15 0.69 -3.56 0.00 0.00 -1.26 -4.77 120.51 113.76 1rjj n ALA 102 Ca 0.23 -1.17 -0.12 0.00 0.00 0.00 0.00 53.44 52.38 1rjj n ALA 102 Cb 0.37 -2.62 -0.11 0.00 0.00 0.00 0.00 19.45 17.09 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 7.04 -0.51 -0.34 0.00 -7.23 -1.26 -5.06 120.40 113.04 1rjj s VAL 103 Ca 1.00 0.11 -0.08 0.00 -1.81 0.00 0.00 61.98 61.20 1rjj s VAL 103 Cb -0.43 -0.63 0.21 0.00 0.56 0.00 0.00 36.38 36.09 1rjj s VAL 103 CO 0.30 0.00 1.10 -1.59 -0.31 0.00 0.00 175.10 174.60 1rjj s LYS 104 N 2.49 0.18 0.00 4.82 -2.85 -1.26 -5.01 119.74 118.12 1rjj s LYS 104 Ca 0.04 -0.16 0.00 0.00 -1.00 0.00 0.00 55.97 54.85 1rjj s LYS 104 Cb -0.13 -0.00 0.00 0.00 -2.06 0.00 0.00 37.83 35.63 1rjj s LYS 104 CO -0.12 -0.23 0.00 -1.13 0.10 0.00 0.00 175.35 173.97 1rjj n SER 105 N 2.81 0.00 -2.10 0.03 3.41 -1.26 -4.97 113.62 111.55 1rjj n SER 105 Ca 0.10 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.70 1rjj n SER 105 Cb 0.65 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.58 1rjj n SER 105 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1rjj n SER 106 N 0.00 1.26 0.00 4.04 2.88 -1.26 -4.47 113.62 116.07 1rjj n SER 106 Ca 0.00 -1.51 0.00 0.00 -1.33 0.00 0.00 58.87 56.03 1rjj n SER 106 Cb 0.00 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 1rjj n SER 106 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1rjj n VAL 107 N 2.31 0.00 -3.75 2.46 0.31 -1.26 -5.18 118.33 113.22 1rjj n VAL 107 Ca 0.04 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.24 1rjj n VAL 107 Cb 0.16 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.01 1rjj n VAL 107 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1rjj s VAL 108 N 3.00 0.06 -0.34 2.52 0.11 -1.26 -5.12 120.40 119.37 1rjj s VAL 108 Ca 0.00 -0.51 -0.22 0.00 -2.93 0.00 0.00 61.98 58.32 1rjj s VAL 108 Cb 0.00 -0.70 0.00 0.00 -1.53 0.00 0.00 36.38 34.15 1rjj s VAL 108 CO 0.00 -0.28 0.69 0.00 -3.33 0.00 0.00 175.10 172.18 1rjj s ALA 109 N -1.62 3.48 -0.49 1.54 0.00 -1.26 -4.97 121.76 118.45 1rjj s ALA 109 Ca -0.11 -0.69 0.06 0.00 0.00 0.00 0.00 51.96 51.22 1rjj s ALA 109 Cb -0.04 -3.22 0.22 0.00 0.00 0.00 0.00 23.12 20.08 1rjj s ALA 109 CO 0.03 -1.29 0.53 2.41 0.00 0.00 0.00 175.76 177.44 1rjj n THR 110 N 5.58 0.14 1.91 0.00 -1.04 -1.26 -5.33 114.28 114.29 1rjj n THR 110 Ca 0.01 -4.26 0.16 0.00 -2.04 0.00 0.00 64.05 57.92 1rjj n THR 110 Cb 0.48 -1.95 0.88 0.00 -1.82 0.00 0.00 70.33 67.92 1rjj n THR 110 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62