#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 -2.42 0.17 3.04 0.00 -1.26 -4.90 120.51 115.14 1rjj n ALA 2 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.42 1rjj n ALA 2 Cb 0.00 -4.53 0.02 0.00 0.00 0.00 0.00 19.45 14.94 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 -3.75 0.11 0.00 0.00 5.66 -1.26 -5.05 114.28 110.00 1rjj n THR 3 Ca -0.12 -0.56 0.00 0.00 -3.05 0.00 0.00 64.05 60.32 1rjj n THR 3 Cb 0.62 1.03 0.00 0.00 -1.55 0.00 0.00 70.33 70.43 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 0.23 0.00 -4.92 1.09 7.64 -1.26 -4.97 113.62 111.42 1rjj n SER 4 Ca 0.03 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.70 1rjj n SER 4 Cb 0.14 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.39 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 1.82 -0.02 0.23 0.00 0.72 -4.60 107.32 105.47 1rjj s GLY 5 Ca 0.00 -1.61 0.01 0.00 0.00 0.00 0.00 44.72 43.12 1rjj s GLY 5 CO 0.00 -1.25 -0.04 -0.12 0.00 0.00 0.00 173.10 171.68 1rjj s PHE 6 N -2.76 0.52 -0.01 1.90 5.36 -0.86 0.18 117.98 122.31 1rjj s PHE 6 Ca 0.60 -0.10 0.05 0.00 -0.96 0.00 0.00 56.93 56.51 1rjj s PHE 6 Cb -0.08 -0.40 -0.03 0.00 -0.34 0.00 0.00 43.02 42.17 1rjj s PHE 6 CO 0.39 -0.06 -0.15 0.21 -1.46 0.00 0.00 175.22 174.15 1rjj s LYS 7 N 0.25 2.33 -0.06 10.12 2.20 -1.17 -0.67 119.74 132.75 1rjj s LYS 7 Ca -0.03 -0.82 0.02 0.00 -0.36 0.00 0.00 55.97 54.78 1rjj s LYS 7 Cb -0.06 -2.31 0.02 0.00 -1.51 0.00 0.00 37.83 33.96 1rjj s LYS 7 CO -0.00 0.59 -0.09 -1.58 -0.36 0.00 0.00 175.35 173.90 1rjj s HIS 8 N -0.84 1.23 0.02 4.03 5.65 0.28 -2.32 115.29 123.34 1rjj s HIS 8 Ca 0.14 -0.44 0.01 0.00 0.25 0.00 0.00 55.06 55.02 1rjj s HIS 8 Cb -0.11 -0.95 -0.01 0.00 -1.18 0.00 0.00 32.58 30.33 1rjj s HIS 8 CO 0.03 -0.26 -0.05 -1.17 -0.65 0.00 0.00 174.74 172.64 1rjj s LEU 9 N 0.81 2.15 -0.02 8.88 0.20 -0.85 -0.86 118.68 128.99 1rjj s LEU 9 Ca -0.12 -0.35 0.03 0.00 0.69 0.00 0.00 54.13 54.38 1rjj s LEU 9 Cb -0.15 -0.12 -0.00 0.00 -0.43 0.00 0.00 46.19 45.49 1rjj s LEU 9 CO 0.02 -0.12 -0.11 0.54 -0.29 0.00 0.00 176.35 176.39 1rjj s VAL 10 N -0.87 0.89 -0.09 1.68 0.11 -1.15 -1.49 120.40 119.48 1rjj s VAL 10 Ca -0.07 -0.43 0.04 0.00 -2.93 0.00 0.00 61.98 58.59 1rjj s VAL 10 Cb -0.07 -0.78 -0.00 0.00 -1.53 0.00 0.00 36.38 34.00 1rjj s VAL 10 CO -0.00 0.27 -0.24 -0.69 -3.33 0.00 0.00 175.10 171.11 1rjj s VAL 11 N 0.08 2.00 0.10 2.04 1.01 0.16 -2.85 120.40 122.95 1rjj s VAL 11 Ca -0.02 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.93 1rjj s VAL 11 Cb -0.08 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1rjj s VAL 11 CO 0.00 0.55 0.09 0.68 0.00 0.00 0.00 175.10 176.43 1rjj s VAL 12 N 0.25 0.14 0.14 2.92 -7.23 -1.10 -1.43 120.40 114.09 1rjj s VAL 12 Ca -0.15 -1.66 0.07 0.00 -1.81 0.00 0.00 61.98 58.43 1rjj s VAL 12 Cb -0.17 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 1rjj s VAL 12 CO 0.08 -0.63 -0.16 -0.75 -0.31 0.00 0.00 175.10 173.33 1rjj s LYS 13 N -3.96 1.14 0.08 4.82 2.47 -1.22 -1.83 119.74 121.25 1rjj s LYS 13 Ca 0.14 -1.33 0.04 0.00 -1.56 0.00 0.00 55.97 53.26 1rjj s LYS 13 Cb 0.06 -1.08 -0.04 0.00 -1.46 0.00 0.00 37.83 35.32 1rjj s LYS 13 CO -0.04 0.21 0.01 -0.59 0.16 0.00 0.00 175.35 175.10 1rjj s PHE 14 N -2.19 3.03 0.00 4.03 -0.12 -1.26 0.19 117.98 121.66 1rjj s PHE 14 Ca 0.13 -0.00 0.00 0.00 -0.05 0.00 0.00 56.93 57.00 1rjj s PHE 14 Cb -0.05 -1.56 0.00 0.00 -0.63 0.00 0.00 43.02 40.78 1rjj s PHE 14 CO 0.05 0.48 0.00 0.36 -0.05 0.00 0.00 175.22 176.06 1rjj n LYS 15 N 0.62 2.28 -0.08 1.99 2.85 -1.26 -4.78 118.16 119.78 1rjj n LYS 15 Ca -0.11 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.05 1rjj n LYS 15 Cb 0.52 -0.79 -0.05 0.00 -0.65 0.00 0.00 35.03 34.06 1rjj n LYS 15 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1rjj n GLU 16 N -0.95 0.49 0.00 -1.58 1.02 -1.26 -4.99 120.64 113.37 1rjj n GLU 16 Ca 0.00 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 1rjj n GLU 16 Cb 0.00 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 1rjj n GLU 16 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1rjj n ASP 17 N -4.55 0.00 -4.41 1.62 2.03 -1.26 -5.09 116.55 104.89 1rjj n ASP 17 Ca -0.16 0.00 -0.50 0.00 0.52 0.00 0.00 54.79 54.65 1rjj n ASP 17 Cb 0.41 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.72 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 0.07 -2.23 5.18 -1.04 -1.26 -4.80 114.28 110.20 1rjj n THR 18 Ca 0.00 -0.19 -0.32 0.00 -2.04 0.00 0.00 64.05 61.50 1rjj n THR 18 Cb 0.00 -1.20 -0.04 0.00 -1.82 0.00 0.00 70.33 67.26 1rjj n THR 18 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1rjj s LYS 19 N 6.94 2.93 0.26 -2.82 0.00 -1.26 -4.77 119.74 121.01 1rjj s LYS 19 Ca 1.17 -0.66 -0.05 0.00 0.00 0.00 0.00 55.97 56.43 1rjj s LYS 19 Cb -1.05 -5.18 0.30 0.00 0.00 0.00 0.00 37.83 31.89 1rjj s LYS 19 CO 0.51 -3.00 1.89 -0.39 0.00 0.00 0.00 175.35 174.37 1rjj h VAL 20 N 7.00 1.24 -0.42 1.79 -1.51 -1.97 0.18 116.25 122.57 1rjj h VAL 20 Ca 0.15 -0.57 -0.01 0.00 -1.23 0.00 0.00 66.70 65.04 1rjj h VAL 20 Cb 1.00 0.06 -0.02 0.00 -2.13 0.00 0.00 31.29 30.20 1rjj h VAL 20 CO 1.29 0.27 0.23 0.44 -1.23 0.00 0.00 177.57 178.56 1rjj h ASP 21 N 1.19 0.52 0.06 4.19 3.32 -1.96 4.91 116.42 128.64 1rjj h ASP 21 Ca 0.31 -0.09 -0.22 0.00 0.02 0.00 0.00 57.03 57.05 1rjj h ASP 21 Cb -0.01 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.41 1rjj h ASP 21 CO -0.05 0.46 -0.81 -0.33 -1.72 0.00 0.00 179.24 176.79 1rjj h GLU 22 N 0.54 0.61 -0.06 3.56 3.07 -1.90 0.32 114.58 120.73 1rjj h GLU 22 Ca 0.15 -0.53 -0.01 0.00 -0.50 0.00 0.00 59.36 58.46 1rjj h GLU 22 Cb 0.05 0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.08 1rjj h GLU 22 CO -0.02 1.15 -0.01 0.82 -1.40 0.00 0.00 179.01 179.55 1rjj h ILE 23 N 0.41 1.27 -0.89 3.13 1.08 -0.26 -0.74 117.51 121.51 1rjj h ILE 23 Ca -0.06 -0.85 0.04 0.00 -0.39 0.00 0.00 64.86 63.61 1rjj h ILE 23 Cb 1.42 1.71 -0.06 0.00 -3.07 0.00 0.00 36.82 36.83 1rjj h ILE 23 CO 0.15 0.23 0.57 0.25 -0.69 0.00 0.00 178.15 178.66 1rjj h LEU 24 N -0.19 0.93 -1.99 1.44 7.12 0.99 0.42 115.31 124.02 1rjj h LEU 24 Ca 0.02 -0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.01 1rjj h LEU 24 Cb 0.37 -0.20 -0.00 0.00 -0.53 0.00 0.00 40.66 40.30 1rjj h LEU 24 CO 0.00 0.62 -0.10 0.50 -0.13 0.00 0.00 178.44 179.34 1rjj h LYS 25 N 1.08 0.00 0.41 1.25 3.64 -0.00 -2.20 116.57 120.74 1rjj h LYS 25 Ca 0.36 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.72 1rjj h LYS 25 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1rjj h LYS 25 CO -0.13 0.10 -0.20 0.78 -2.27 0.00 0.00 179.45 177.73 1rjj h GLY 26 N 0.62 -0.57 -0.35 5.01 0.00 0.13 -2.57 103.07 105.34 1rjj h GLY 26 Ca -0.00 0.21 0.31 0.00 0.00 0.00 0.00 47.33 47.85 1rjj h GLY 26 CO 0.01 -0.21 0.72 -2.00 0.00 0.00 0.00 176.54 175.07 1rjj h LEU 27 N -0.82 0.37 -0.81 3.11 6.46 -0.74 1.14 115.31 124.02 1rjj h LEU 27 Ca -0.06 0.09 0.12 0.00 -0.12 0.00 0.00 57.88 57.91 1rjj h LEU 27 Cb 0.54 0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 40.42 1rjj h LEU 27 CO 0.09 0.02 0.42 -0.33 -0.62 0.00 0.00 178.44 178.02 1rjj h GLU 28 N 0.30 0.64 -0.78 1.25 4.39 -1.16 0.62 114.58 119.83 1rjj h GLU 28 Ca 0.64 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 60.31 1rjj h GLU 28 Cb 1.79 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 30.26 1rjj h GLU 28 CO -0.30 0.42 0.51 -2.95 -1.16 0.00 0.00 179.01 175.54 1rjj h ASN 29 N 0.65 0.89 -0.60 1.42 7.08 0.14 -1.40 115.58 123.76 1rjj h ASN 29 Ca 0.42 -0.02 0.11 0.00 -3.08 0.00 0.00 56.30 53.72 1rjj h ASN 29 Cb 0.51 -0.22 -0.08 0.00 -2.08 0.00 0.00 38.32 36.45 1rjj h ASN 29 CO -0.31 0.64 0.17 0.25 -2.08 0.00 0.00 177.43 176.11 1rjj h LEU 30 N 1.05 0.10 -1.88 6.14 7.12 0.61 0.63 115.31 129.08 1rjj h LEU 30 Ca 0.28 0.10 0.09 0.00 0.13 0.00 0.00 57.88 58.48 1rjj h LEU 30 Cb -0.12 0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.11 1rjj h LEU 30 CO -0.06 0.06 0.47 0.58 -0.13 0.00 0.00 178.44 179.36 1rjj h VAL 31 N 0.32 0.24 -1.16 1.05 2.07 0.15 0.39 116.25 119.32 1rjj h VAL 31 Ca 0.31 0.00 0.36 0.00 0.82 0.00 0.00 66.70 68.20 1rjj h VAL 31 Cb 0.43 0.60 -0.13 0.00 -1.52 0.00 0.00 31.29 30.68 1rjj h VAL 31 CO -0.36 0.00 0.72 -1.28 0.02 0.00 0.00 177.57 176.67 1rjj h SER 32 N 0.00 0.36 0.40 0.57 0.87 0.38 2.51 113.55 118.64 1rjj h SER 32 Ca 0.15 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1rjj h SER 32 Cb 1.09 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1rjj h SER 32 CO -0.00 -0.12 0.00 0.00 -0.53 0.00 0.00 176.83 176.18 1rjj n GLN 33 N -4.79 0.59 -0.44 2.24 1.13 0.13 -3.71 117.38 112.54 1rjj n GLN 33 Ca 0.33 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.37 1rjj n GLN 33 Cb 1.18 -1.50 0.13 0.00 0.11 0.00 0.00 30.24 30.16 1rjj n GLN 33 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1rjj n ILE 34 N -1.20 1.47 0.23 5.09 2.08 0.84 -3.97 119.36 123.91 1rjj n ILE 34 Ca 0.17 -0.68 0.14 0.00 0.56 0.00 0.00 62.75 62.95 1rjj n ILE 34 Cb 0.20 -0.55 0.77 0.00 -0.75 0.00 0.00 39.64 39.31 1rjj n ILE 34 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1rjj h ASP 35 N 1.19 0.00 0.11 4.38 3.32 -1.70 0.83 116.42 124.55 1rjj h ASP 35 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1rjj h ASP 35 Cb 1.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.94 1rjj h ASP 35 CO 0.31 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 178.18 1rjj n THR 36 N -2.53 0.31 -3.13 0.35 -2.24 -1.25 -4.80 114.28 100.99 1rjj n THR 36 Ca -0.02 0.08 -0.21 0.00 -2.27 0.00 0.00 64.05 61.63 1rjj n THR 36 Cb 0.11 -0.87 -0.04 0.00 -2.10 0.00 0.00 70.33 67.43 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 -1.13 -0.08 0.03 2.28 0.24 0.29 -4.58 118.33 115.38 1rjj n VAL 37 Ca 0.08 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 1rjj n VAL 37 Cb 0.07 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 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 -2.41 0.00 -0.80 7.34 5.02 -1.26 -5.08 118.16 120.97 1rjj n LYS 38 Ca 0.03 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.13 1rjj n LYS 38 Cb 0.25 -0.19 0.15 0.00 -0.02 0.00 0.00 35.03 35.22 1rjj n LYS 38 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1rjj n SER 39 N -2.93 -1.18 -3.90 4.39 2.88 -1.26 -4.34 113.62 107.28 1rjj n SER 39 Ca 0.00 -1.02 -0.09 0.00 -1.33 0.00 0.00 58.87 56.43 1rjj n SER 39 Cb 0.00 -0.62 -0.05 0.00 -0.75 0.00 0.00 64.21 62.79 1rjj n SER 39 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1rjj s PHE 40 N -2.39 0.17 -0.28 0.66 0.08 0.20 -4.93 117.98 111.49 1rjj s PHE 40 Ca 0.45 -0.53 -0.14 0.00 0.12 0.00 0.00 56.93 56.82 1rjj s PHE 40 Cb -0.03 0.26 0.09 0.00 -0.57 0.00 0.00 43.02 42.76 1rjj s PHE 40 CO 0.33 -0.94 0.66 -1.21 -0.10 0.00 0.00 175.22 173.96 1rjj s GLU 41 N -3.96 0.66 0.33 0.44 2.02 -1.26 -1.95 118.70 114.98 1rjj s GLU 41 Ca 0.16 1.25 0.03 0.00 0.02 0.00 0.00 54.97 56.44 1rjj s GLU 41 Cb -0.01 0.30 -0.05 0.00 0.10 0.00 0.00 34.13 34.47 1rjj s GLU 41 CO 0.04 -0.16 0.08 -1.58 0.02 0.00 0.00 175.26 173.65 1rjj s TRP 42 N 1.92 1.86 0.15 1.61 0.51 -1.08 -4.96 118.94 118.95 1rjj s TRP 42 Ca -0.09 -1.05 0.03 0.00 -2.12 0.00 0.00 56.10 52.86 1rjj s TRP 42 Cb -0.07 -1.19 -0.04 0.00 -0.81 0.00 0.00 33.47 31.35 1rjj s TRP 42 CO -0.19 -0.10 -0.04 0.20 -0.51 0.00 0.00 176.95 176.30 1rjj s GLY 43 N -3.48 1.08 -0.06 0.98 0.00 -1.26 -2.80 107.32 101.78 1rjj s GLY 43 Ca 0.35 -1.51 -0.16 0.00 0.00 0.00 0.00 44.72 43.39 1rjj s GLY 43 CO 0.15 -1.53 0.38 -0.54 0.00 0.00 0.00 173.10 171.56 1rjj s GLU 44 N -3.85 0.65 0.13 2.90 2.02 -1.00 -4.96 118.70 114.60 1rjj s GLU 44 Ca 0.19 0.08 0.05 0.00 0.02 0.00 0.00 54.97 55.31 1rjj s GLU 44 Cb 0.05 0.30 -0.04 0.00 0.10 0.00 0.00 34.13 34.54 1rjj s GLU 44 CO 0.01 -0.16 -0.12 0.34 0.02 0.00 0.00 175.26 175.35 1rjj s ASP 45 N -0.85 1.85 -1.09 -0.19 2.15 -1.26 -2.03 116.67 115.25 1rjj s ASP 45 Ca -0.09 -0.92 -0.26 0.00 0.43 0.00 0.00 52.55 51.71 1rjj s ASP 45 Cb -0.04 -0.03 -0.22 0.00 -0.30 0.00 0.00 42.92 42.33 1rjj s ASP 45 CO 0.04 -0.25 2.11 -1.59 -0.17 0.00 0.00 175.17 175.31 1rjj s LYS 46 N -3.25 1.25 -0.29 4.34 0.00 -1.14 -4.50 119.74 116.15 1rjj s LYS 46 Ca 0.13 -0.47 0.12 0.00 0.00 0.00 0.00 55.97 55.75 1rjj s LYS 46 Cb -0.01 -4.99 0.47 0.00 0.00 0.00 0.00 37.83 33.30 1rjj s LYS 46 CO 0.02 -5.42 1.16 0.39 0.00 0.00 0.00 175.35 171.49 1rjj n GLU 47 N 8.19 2.97 -3.09 1.78 1.02 -1.26 -4.91 120.64 125.34 1rjj n GLU 47 Ca 0.42 -3.96 -0.18 0.00 -0.02 0.00 0.00 57.16 53.42 1rjj n GLU 47 Cb 0.47 -2.05 -0.04 0.00 -0.02 0.00 0.00 31.44 29.80 1rjj n GLU 47 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1rjj n SER 48 N -0.65 -1.44 -2.20 1.62 2.88 -1.26 -5.07 113.62 107.49 1rjj n SER 48 Ca 0.31 -2.73 0.00 0.00 -1.33 0.00 0.00 58.87 55.13 1rjj n SER 48 Cb 0.90 0.36 0.00 0.00 -0.75 0.00 0.00 64.21 64.73 1rjj n SER 48 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1rjj n HIS 49 N 2.34 -4.25 -0.40 0.66 -0.00 -1.26 -2.34 115.22 109.97 1rjj n HIS 49 Ca 0.22 2.54 0.33 0.00 0.46 0.00 0.00 57.72 61.27 1rjj n HIS 49 Cb 0.53 -3.36 0.63 0.00 -0.12 0.00 0.00 29.99 27.67 1rjj n HIS 49 CO 0.00 0.00 0.00 0.22 0.46 0.00 0.00 176.34 177.02 1rjj h ASP 50 N 4.28 0.26 0.46 0.26 3.58 -1.94 0.30 116.42 123.63 1rjj h ASP 50 Ca 0.00 0.09 -0.21 0.00 0.42 0.00 0.00 57.03 57.33 1rjj h ASP 50 Cb 0.00 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 1rjj h ASP 50 CO 0.00 -0.05 -0.89 0.24 -2.88 0.00 0.00 179.24 175.66 1rjj h MET 51 N 0.17 0.29 0.00 0.28 2.86 -1.99 -2.51 114.93 114.03 1rjj h MET 51 Ca 0.72 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 58.05 1rjj h MET 51 Cb 2.25 0.09 0.00 0.00 0.06 0.00 0.00 31.60 34.00 1rjj h MET 51 CO -0.29 1.01 -0.90 -0.07 1.06 0.00 0.00 176.91 177.72 1rjj h LEU 52 N 0.17 0.00 -2.58 1.22 3.38 -0.64 -3.31 115.31 113.54 1rjj h LEU 52 Ca -0.06 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1rjj h LEU 52 Cb 1.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.26 1rjj h LEU 52 CO 0.14 0.04 0.00 -2.11 0.09 0.00 0.00 178.44 176.60 1rjj n ARG 53 N -2.51 2.61 -2.00 1.13 1.85 0.46 -4.93 116.66 113.26 1rjj n ARG 53 Ca 0.01 -2.42 0.00 0.00 -1.00 0.00 0.00 57.85 54.44 1rjj n ARG 53 Cb 0.52 -1.51 0.00 0.00 -1.05 0.00 0.00 32.46 30.42 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 1.44 -2.37 -0.43 2.89 1.13 -0.95 -0.99 117.38 118.10 1rjj n GLN 54 Ca 0.21 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.27 1rjj n GLN 54 Cb 0.59 -4.08 0.00 0.00 0.11 0.00 0.00 30.24 26.85 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 -0.35 0.00 3.58 1.08 0.00 -1.22 -4.86 105.19 103.41 1rjj n GLY 55 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.10 1.35 0.23 1.61 1.16 -0.17 -4.80 117.46 115.75 1rjj n PHE 56 Ca 0.00 0.68 -0.15 0.00 -1.87 0.00 0.00 57.45 56.11 1rjj n PHE 56 Cb 0.09 -2.29 -0.08 0.00 -1.61 0.00 0.00 39.48 35.59 1rjj n PHE 56 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 1rjj h THR 57 N 2.99 0.45 -1.84 1.97 2.02 -1.70 -3.01 112.91 113.79 1rjj h THR 57 Ca -0.46 0.00 0.09 0.00 0.77 0.00 0.00 66.41 66.81 1rjj h THR 57 Cb 1.34 0.45 -0.20 0.00 -1.74 0.00 0.00 68.15 68.01 1rjj h THR 57 CO 0.74 0.00 0.51 -2.28 0.37 0.00 0.00 175.52 174.86 1rjj s HIS 58 N -6.07 -0.37 0.09 3.16 2.46 -1.19 -3.21 115.29 110.14 1rjj s HIS 58 Ca -0.16 0.50 -0.01 0.00 0.47 0.00 0.00 55.06 55.86 1rjj s HIS 58 Cb 0.05 0.48 -0.04 0.00 -0.13 0.00 0.00 32.58 32.94 1rjj s HIS 58 CO 0.64 -0.43 0.00 0.00 -2.47 0.00 0.00 174.74 172.48 1rjj s ALA 59 N -1.87 0.69 -0.08 1.58 0.00 -0.86 -2.70 121.76 118.51 1rjj s ALA 59 Ca 0.00 -1.33 0.01 0.00 0.00 0.00 0.00 51.96 50.65 1rjj s ALA 59 Cb -0.01 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.63 1rjj s ALA 59 CO -0.02 -0.41 -0.10 -0.06 0.00 0.00 0.00 175.76 175.17 1rjj s PHE 60 N -3.94 1.45 -0.46 0.00 0.08 -1.13 -2.38 117.98 111.59 1rjj s PHE 60 Ca 0.14 -0.61 -0.11 0.00 0.12 0.00 0.00 56.93 56.47 1rjj s PHE 60 Cb 0.08 -1.12 0.10 0.00 -0.57 0.00 0.00 43.02 41.50 1rjj s PHE 60 CO -0.05 -0.37 0.34 0.45 -0.10 0.00 0.00 175.22 175.50 1rjj s SER 61 N 1.07 5.83 -0.26 1.36 0.15 -1.12 -2.91 113.70 117.81 1rjj s SER 61 Ca -0.07 -1.62 -0.09 0.00 0.70 0.00 0.00 55.95 54.86 1rjj s SER 61 Cb -0.14 -2.06 -0.04 0.00 -1.71 0.00 0.00 66.02 62.06 1rjj s SER 61 CO -0.01 -0.65 0.14 -0.04 1.20 0.00 0.00 173.24 173.88 1rjj s MET 62 N 1.47 3.85 -0.11 5.44 -1.94 -0.04 -2.62 119.30 125.35 1rjj s MET 62 Ca 0.04 -0.38 -0.00 0.00 -1.71 0.00 0.00 55.69 53.64 1rjj s MET 62 Cb -0.25 -3.51 -0.02 0.00 2.01 0.00 0.00 34.83 33.06 1rjj s MET 62 CO 0.02 -0.15 -0.10 0.99 -0.01 0.00 0.00 175.02 175.78 1rjj s THR 63 N 1.61 3.41 -0.17 2.05 2.01 -0.82 -0.55 115.64 123.16 1rjj s THR 63 Ca 0.07 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.52 1rjj s THR 63 Cb -0.15 -2.43 0.02 0.00 0.01 0.00 0.00 72.50 69.95 1rjj s THR 63 CO 0.07 0.54 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.99 1rjj s PHE 64 N -0.06 2.77 0.51 4.92 0.40 0.16 0.62 117.98 127.30 1rjj s PHE 64 Ca -0.01 -1.54 0.33 0.00 -0.60 0.00 0.00 56.93 55.11 1rjj s PHE 64 Cb -0.14 -1.91 1.46 0.00 0.51 0.00 0.00 43.02 42.95 1rjj s PHE 64 CO 0.03 -0.75 1.79 1.05 0.70 0.00 0.00 175.22 178.04 1rjj h GLU 65 N 7.82 0.08 -3.18 0.44 9.09 -1.87 -2.29 114.58 124.68 1rjj h GLU 65 Ca -0.43 -0.00 -0.02 0.00 0.05 0.00 0.00 59.36 58.96 1rjj h GLU 65 Cb 1.15 -0.02 -0.11 0.00 -1.65 0.00 0.00 28.75 28.12 1rjj h GLU 65 CO 0.62 0.05 0.10 1.21 0.05 0.00 0.00 179.01 181.04 1rjj s ASN 66 N -5.13 -0.38 0.61 3.06 3.84 -1.26 -4.42 114.94 111.26 1rjj s ASN 66 Ca -0.06 -0.27 0.33 0.00 0.21 0.00 0.00 52.86 53.06 1rjj s ASN 66 Cb 0.24 0.58 1.94 0.00 -0.55 0.00 0.00 41.25 43.46 1rjj s ASN 66 CO 0.81 -1.01 2.28 0.11 -2.79 0.00 0.00 177.10 176.50 1rjj h LYS 67 N 2.14 0.00 -0.92 0.43 1.57 -1.95 -2.65 116.57 115.19 1rjj h LYS 67 Ca -0.31 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.58 1rjj h LYS 67 Cb 1.28 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.52 1rjj h LYS 67 CO 0.38 0.00 0.59 -0.44 -0.57 0.00 0.00 179.45 179.41 1rjj h ASP 68 N 0.00 0.81 0.00 0.86 3.32 -1.95 0.11 116.42 119.56 1rjj h ASP 68 Ca 0.00 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 1rjj h ASP 68 Cb 0.01 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1rjj h ASP 68 CO -0.00 0.45 -0.23 1.23 -1.72 0.00 0.00 179.24 178.97 1rjj h GLY 69 N 0.88 0.42 0.80 2.75 0.00 -1.87 -1.26 103.07 104.78 1rjj h GLY 69 Ca 0.44 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 1rjj h GLY 69 CO -0.21 0.29 -0.01 -1.82 0.00 0.00 0.00 176.54 174.80 1rjj h TYR 70 N 0.35 0.36 0.00 5.60 3.20 -0.94 -1.45 116.97 124.08 1rjj h TYR 70 Ca 0.06 -0.07 -0.10 0.00 3.14 0.00 0.00 58.73 61.76 1rjj h TYR 70 Cb 0.60 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 1rjj h TYR 70 CO 0.02 0.55 -0.48 -0.39 -1.64 0.00 0.00 178.16 176.21 1rjj h VAL 71 N 0.06 1.24 0.69 1.81 -1.51 -1.24 -1.87 116.25 115.43 1rjj h VAL 71 Ca 0.05 -1.71 -0.03 0.00 -1.23 0.00 0.00 66.70 63.77 1rjj h VAL 71 Cb 0.41 1.95 0.01 0.00 -2.13 0.00 0.00 31.29 31.53 1rjj h VAL 71 CO 0.01 0.47 -0.33 0.00 -1.23 0.00 0.00 177.57 176.49 1rjj h ALA 72 N 1.52 -1.00 -0.47 5.19 0.00 -1.01 0.76 119.26 124.25 1rjj h ALA 72 Ca -0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1rjj h ALA 72 Cb 0.91 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1rjj h ALA 72 CO 0.06 -0.93 0.28 0.74 0.00 0.00 0.00 179.25 179.40 1rjj h PHE 73 N -1.16 0.61 -0.05 0.00 0.04 -1.30 -2.48 116.94 112.61 1rjj h PHE 73 Ca -0.10 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.50 1rjj h PHE 73 Cb 0.71 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 1rjj h PHE 73 CO 0.02 0.42 -0.74 1.79 -0.60 0.00 0.00 178.31 179.19 1rjj h THR 74 N 0.65 1.42 0.00 -1.55 1.35 -1.29 -3.13 112.91 110.35 1rjj h THR 74 Ca 0.17 -2.24 -0.02 0.00 -0.55 0.00 0.00 66.41 63.76 1rjj h THR 74 Cb -0.01 2.19 -0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1rjj h THR 74 CO -0.03 0.66 -0.11 -1.28 -0.25 0.00 0.00 175.52 174.51 1rjj h SER 75 N 0.18 0.00 -3.23 5.36 0.87 -0.36 -3.42 113.55 112.96 1rjj h SER 75 Ca -0.03 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 59.97 1rjj h SER 75 Cb 1.30 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.22 1rjj h SER 75 CO 0.12 0.11 0.61 -1.00 -0.53 0.00 0.00 176.83 176.14 1rjj s HIS 76 N -4.12 3.48 -0.66 2.24 3.76 -1.18 -4.85 115.29 113.95 1rjj s HIS 76 Ca -0.02 1.56 0.00 0.00 -0.15 0.00 0.00 55.06 56.45 1rjj s HIS 76 Cb 0.13 -3.21 0.00 0.00 1.11 0.00 0.00 32.58 30.61 1rjj s HIS 76 CO 0.58 -0.30 0.13 -2.30 -0.85 0.00 0.00 174.74 172.00 1rjj n PRO 77 N 5.22 0.00 0.08 8.40 -0.02 -1.26 -1.82 135.00 145.59 1rjj n PRO 77 Ca 0.09 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.46 1rjj n PRO 77 Cb 0.48 -1.40 -0.04 0.00 -0.02 0.00 0.00 33.50 32.52 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 0.40 0.08 2.45 5.85 -1.89 -3.15 115.31 119.06 1rjj h LEU 78 Ca 0.00 -0.33 -0.27 0.00 0.84 0.00 0.00 57.88 58.11 1rjj h LEU 78 Cb 0.00 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1rjj h LEU 78 CO 0.00 1.15 -1.34 -0.74 -0.34 0.00 0.00 178.44 177.17 1rjj h HIS 79 N 0.16 0.30 0.75 1.25 2.76 -1.56 -3.16 115.15 115.64 1rjj h HIS 79 Ca -0.07 -0.22 -0.04 0.00 -2.20 0.00 0.00 60.37 57.85 1rjj h HIS 79 Cb 1.58 -0.01 0.01 0.00 1.55 0.00 0.00 27.41 30.54 1rjj h HIS 79 CO 0.05 1.22 -0.36 0.28 -1.30 0.00 0.00 177.93 177.81 1rjj h VAL 80 N 0.04 0.00 -0.81 5.26 2.07 -1.74 0.81 116.25 121.89 1rjj h VAL 80 Ca -0.16 -0.24 0.13 0.00 0.82 0.00 0.00 66.70 67.25 1rjj h VAL 80 Cb 1.94 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.62 1rjj h VAL 80 CO 0.16 0.00 0.41 -0.08 0.02 0.00 0.00 177.57 178.08 1rjj h GLU 81 N -1.25 0.60 -0.10 1.57 4.81 -1.71 0.16 114.58 118.66 1rjj h GLU 81 Ca -0.10 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 58.93 1rjj h GLU 81 Cb 0.77 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1rjj h GLU 81 CO 0.17 0.40 -0.62 0.74 -0.73 0.00 0.00 179.01 178.96 1rjj h PHE 82 N 0.62 0.46 -0.66 0.92 -1.00 -1.50 -3.13 116.94 112.64 1rjj h PHE 82 Ca 0.43 -0.18 -0.00 0.00 2.81 0.00 0.00 57.97 61.03 1rjj h PHE 82 Cb 0.58 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 40.02 1rjj h PHE 82 CO -0.10 0.88 0.40 0.77 -1.61 0.00 0.00 178.31 178.65 1rjj h SER 83 N 0.26 0.80 -0.75 2.17 0.02 0.26 0.35 113.55 116.66 1rjj h SER 83 Ca -0.01 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1rjj h SER 83 Cb 1.15 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.46 1rjj h SER 83 CO 0.10 0.62 0.44 0.00 -1.14 0.00 0.00 176.83 176.86 1rjj h ALA 84 N 1.21 0.96 -0.33 3.77 0.00 -1.29 -2.31 119.26 121.27 1rjj h ALA 84 Ca 0.24 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1rjj h ALA 84 Cb -0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1rjj h ALA 84 CO -0.04 0.45 -0.16 0.00 0.00 0.00 0.00 179.25 179.49 1rjj h ALA 85 N 1.23 0.46 -1.51 0.00 0.00 -1.37 -2.25 119.26 115.83 1rjj h ALA 85 Ca 0.27 -0.34 0.44 0.00 0.00 0.00 0.00 54.91 55.27 1rjj h ALA 85 Cb -0.01 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 1rjj h ALA 85 CO -0.05 0.38 1.08 0.74 0.00 0.00 0.00 179.25 181.40 1rjj h PHE 86 N 0.46 0.02 0.00 0.00 -1.00 0.25 0.11 116.94 116.79 1rjj h PHE 86 Ca 0.07 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.85 1rjj h PHE 86 Cb 0.70 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.25 1rjj h PHE 86 CO 0.06 -0.00 -0.09 1.79 -1.61 0.00 0.00 178.31 178.46 1rjj h THR 87 N 0.01 0.00 -1.51 -1.55 1.35 -1.25 -2.96 112.91 107.00 1rjj h THR 87 Ca 0.72 -0.78 0.44 0.00 -0.55 0.00 0.00 66.41 66.24 1rjj h THR 87 Cb 2.87 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 69.23 1rjj h THR 87 CO -0.02 0.00 1.26 0.00 -0.25 0.00 0.00 175.52 176.51 1rjj n ALA 88 N -2.77 1.45 -0.58 6.62 0.00 -0.03 0.32 120.51 125.52 1rjj n ALA 88 Ca -0.01 0.50 0.08 0.00 0.00 0.00 0.00 53.44 54.01 1rjj n ALA 88 Cb 0.05 -0.87 0.27 0.00 0.00 0.00 0.00 19.45 18.90 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 -3.53 1.69 -4.38 0.00 0.24 0.19 -4.94 118.33 107.60 1rjj n VAL 89 Ca 0.34 -1.31 -0.20 0.00 -2.04 0.00 0.00 64.34 61.13 1rjj n VAL 89 Cb 1.72 0.15 -0.10 0.00 -1.47 0.00 0.00 33.84 34.14 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 -1.83 1.93 -0.17 1.34 1.09 0.97 -4.46 121.20 120.07 1rjj s ILE 90 Ca 0.40 -2.26 0.06 0.00 -1.10 0.00 0.00 60.65 57.75 1rjj s ILE 90 Cb 0.27 -2.13 -0.15 0.00 -1.06 0.00 0.00 42.46 39.39 1rjj s ILE 90 CO 0.18 -0.53 -0.08 -0.67 -0.10 0.00 0.00 174.94 173.74 1rjj n ASP 91 N -0.45 2.07 -3.82 3.58 2.03 0.49 -4.69 116.55 115.76 1rjj n ASP 91 Ca -0.07 -0.06 -0.12 0.00 0.52 0.00 0.00 54.79 55.06 1rjj n ASP 91 Cb 0.60 0.17 -0.11 0.00 -0.72 0.00 0.00 41.12 41.07 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 -2.37 0.40 -0.11 -0.67 -2.85 -1.20 -4.94 119.74 108.00 1rjj s LYS 92 Ca -0.18 -0.05 0.01 0.00 -1.00 0.00 0.00 55.97 54.76 1rjj s LYS 92 Cb 0.06 0.18 0.02 0.00 -2.06 0.00 0.00 37.83 36.02 1rjj s LYS 92 CO 0.50 -0.08 -0.14 -1.50 0.10 0.00 0.00 175.35 174.23 1rjj s ILE 93 N -0.68 1.40 -0.07 3.79 1.10 -1.26 -3.38 121.20 122.11 1rjj s ILE 93 Ca -0.08 -0.57 0.03 0.00 -0.51 0.00 0.00 60.65 59.52 1rjj s ILE 93 Cb -0.04 -1.31 0.01 0.00 0.15 0.00 0.00 42.46 41.27 1rjj s ILE 93 CO 0.01 0.42 -0.14 -0.69 -2.11 0.00 0.00 174.94 172.44 1rjj s VAL 94 N 1.15 1.29 -0.07 4.00 1.01 -0.52 -4.96 120.40 122.31 1rjj s VAL 94 Ca -0.04 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1rjj s VAL 94 Cb -0.14 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.09 1rjj s VAL 94 CO -0.04 0.39 -0.08 -0.76 0.00 0.00 0.00 175.10 174.61 1rjj s LEU 95 N 0.60 1.39 -0.17 3.92 1.02 -1.26 0.36 118.68 124.55 1rjj s LEU 95 Ca -0.15 -0.24 0.01 0.00 0.02 0.00 0.00 54.13 53.77 1rjj s LEU 95 Cb -0.16 -0.69 0.01 0.00 0.02 0.00 0.00 46.19 45.37 1rjj s LEU 95 CO 0.05 -0.04 -0.19 -0.76 0.02 0.00 0.00 176.35 175.43 1rjj s LEU 96 N 1.03 2.24 -0.02 1.79 1.02 -0.56 -4.94 118.68 119.25 1rjj s LEU 96 Ca -0.08 -0.59 0.04 0.00 0.02 0.00 0.00 54.13 53.52 1rjj s LEU 96 Cb -0.14 -1.50 -0.01 0.00 0.02 0.00 0.00 46.19 44.56 1rjj s LEU 96 CO -0.00 0.04 -0.12 1.51 0.02 0.00 0.00 176.35 177.79 1rjj s ASP 97 N 1.08 1.50 -0.27 2.29 -4.77 -1.26 -2.00 116.67 113.24 1rjj s ASP 97 Ca -0.00 -0.23 -0.20 0.00 -3.30 0.00 0.00 52.55 48.82 1rjj s ASP 97 Cb -0.14 -0.23 0.07 0.00 -1.09 0.00 0.00 42.92 41.53 1rjj s ASP 97 CO -0.07 0.14 0.68 0.12 0.70 0.00 0.00 175.17 176.75 1rjj s PHE 98 N -0.19 -0.91 -0.18 2.11 2.19 -0.98 -4.98 117.98 115.04 1rjj s PHE 98 Ca 0.03 1.98 -0.42 0.00 0.33 0.00 0.00 56.93 58.86 1rjj s PHE 98 Cb -0.06 0.45 -0.19 0.00 -1.31 0.00 0.00 43.02 41.91 1rjj s PHE 98 CO -0.00 -0.45 1.37 -2.30 1.83 0.00 0.00 175.22 175.67 1rjj n PRO 99 N 3.56 0.35 -3.09 10.12 -0.02 -1.26 -3.02 135.00 141.63 1rjj n PRO 99 Ca -0.17 0.13 -0.41 0.00 -2.02 0.00 0.00 63.50 61.02 1rjj n PRO 99 Cb 0.57 -1.68 -0.06 0.00 -0.02 0.00 0.00 33.50 32.31 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 1.49 4.89 -1.01 -1.45 1.01 0.49 -4.86 120.40 120.95 1rjj s VAL 100 Ca 0.95 0.78 -0.09 0.00 0.00 0.00 0.00 61.98 63.62 1rjj s VAL 100 Cb -1.26 -4.06 0.26 0.00 0.00 0.00 0.00 36.38 31.32 1rjj s VAL 100 CO 0.64 -0.24 0.98 0.00 0.00 0.00 0.00 175.10 176.48 1rjj s ALA 101 N 2.72 4.51 -1.09 5.51 0.00 -1.26 -0.20 121.76 131.95 1rjj s ALA 101 Ca 0.26 -3.71 -0.19 0.00 0.00 0.00 0.00 51.96 48.32 1rjj s ALA 101 Cb -0.15 -3.47 -0.06 0.00 0.00 0.00 0.00 23.12 19.44 1rjj s ALA 101 CO 0.13 -2.21 2.01 0.00 0.00 0.00 0.00 175.76 175.69 1rjj n ALA 102 N 2.98 3.86 -2.75 0.00 0.00 -1.26 -4.55 120.51 118.80 1rjj n ALA 102 Ca 0.21 -3.51 -0.05 0.00 0.00 0.00 0.00 53.44 50.09 1rjj n ALA 102 Cb 0.41 -3.59 0.02 0.00 0.00 0.00 0.00 19.45 16.29 1rjj n ALA 102 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1rjj n VAL 103 N 5.97 0.00 -3.49 0.00 0.24 -1.26 -5.08 118.33 114.71 1rjj n VAL 103 Ca 0.50 -1.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.43 1rjj n VAL 103 Cb 0.41 1.05 -0.06 0.00 -1.47 0.00 0.00 33.84 33.77 1rjj n VAL 103 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1rjj s LYS 104 N 0.83 3.90 0.47 7.34 -0.14 -1.26 -4.96 119.74 125.93 1rjj s LYS 104 Ca 0.30 0.39 0.24 0.00 -1.36 0.00 0.00 55.97 55.53 1rjj s LYS 104 Cb 0.06 -3.15 1.14 0.00 -1.68 0.00 0.00 37.83 34.21 1rjj s LYS 104 CO -0.09 0.64 1.94 0.66 -0.76 0.00 0.00 175.35 177.74 1rjj h SER 105 N 4.37 0.00 -5.30 2.83 4.64 -2.00 -3.46 113.55 114.62 1rjj h SER 105 Ca -0.51 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.52 1rjj h SER 105 Cb 1.21 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 63.46 1rjj h SER 105 CO 0.63 0.20 -0.71 -1.54 -0.87 0.00 0.00 176.83 174.55 1rjj n SER 106 N -3.62 -2.41 -3.90 4.97 3.41 -1.26 -5.02 113.62 105.80 1rjj n SER 106 Ca -0.01 -0.57 -0.16 0.00 -0.26 0.00 0.00 58.87 57.87 1rjj n SER 106 Cb 0.34 -4.71 -0.15 0.00 -0.26 0.00 0.00 64.21 59.43 1rjj n SER 106 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1rjj s VAL 107 N -3.33 0.31 0.32 -3.33 1.01 -1.26 -5.12 120.40 109.00 1rjj s VAL 107 Ca 0.04 -0.09 -0.28 0.00 0.00 0.00 0.00 61.98 61.65 1rjj s VAL 107 Cb -0.00 -0.31 -0.13 0.00 0.00 0.00 0.00 36.38 35.94 1rjj s VAL 107 CO 0.66 0.12 1.07 0.52 0.00 0.00 0.00 175.10 177.47 1rjj n VAL 108 N 3.43 2.04 -1.53 2.92 0.31 -1.26 -4.69 118.33 119.55 1rjj n VAL 108 Ca -0.18 -0.50 -0.38 0.00 -0.01 0.00 0.00 64.34 63.27 1rjj n VAL 108 Cb 0.55 -1.14 -0.07 0.00 -0.91 0.00 0.00 33.84 32.28 1rjj n VAL 108 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rjj n ALA 109 N 0.15 0.66 -3.25 3.52 0.00 -1.26 -4.79 120.51 115.54 1rjj n ALA 109 Ca 0.08 -0.71 -0.25 0.00 0.00 0.00 0.00 53.44 52.57 1rjj n ALA 109 Cb 0.34 -2.91 -0.07 0.00 0.00 0.00 0.00 19.45 16.80 1rjj n ALA 109 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rjj n THR 110 N 7.83 0.16 0.00 0.00 -2.24 -1.26 -5.32 114.28 113.45 1rjj n THR 110 Ca 0.46 -4.36 0.00 0.00 -2.27 0.00 0.00 64.05 57.88 1rjj n THR 110 Cb 0.38 -1.96 0.00 0.00 -2.10 0.00 0.00 70.33 66.65 1rjj n THR 110 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85