#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 -2.56 0.02 -5.12 0.00 -1.26 -4.86 120.51 106.73 1rjj n ALA 2 Ca 0.00 -0.33 -0.12 0.00 0.00 0.00 0.00 53.44 52.99 1rjj n ALA 2 Cb 0.00 -3.72 -0.08 0.00 0.00 0.00 0.00 19.45 15.65 1rjj n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rjj h THR 3 N -2.09 1.12 0.00 0.00 1.03 -1.90 -3.47 112.91 107.61 1rjj h THR 3 Ca -0.68 -0.36 0.00 0.00 -0.01 0.00 0.00 66.41 65.36 1rjj h THR 3 Cb 1.37 1.34 0.00 0.00 -1.07 0.00 0.00 68.15 69.79 1rjj h THR 3 CO 0.49 0.10 0.00 -0.24 -0.01 0.00 0.00 175.52 175.86 1rjj n SER 4 N -5.00 0.00 -4.83 0.00 2.88 -1.23 -5.02 113.62 100.42 1rjj n SER 4 Ca -0.07 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.14 1rjj n SER 4 Cb 0.10 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.54 1rjj n SER 4 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1rjj s GLY 5 N -0.35 2.12 -0.13 0.46 0.00 0.10 -4.35 107.32 105.17 1rjj s GLY 5 Ca 0.00 0.28 0.03 0.00 0.00 0.00 0.00 44.72 45.02 1rjj s GLY 5 CO 0.00 0.57 -0.21 -0.12 0.00 0.00 0.00 173.10 173.34 1rjj s PHE 6 N -2.52 2.66 -0.10 1.90 2.19 -1.12 0.21 117.98 121.21 1rjj s PHE 6 Ca 0.61 -1.14 -0.01 0.00 0.33 0.00 0.00 56.93 56.71 1rjj s PHE 6 Cb -0.12 -1.79 -0.03 0.00 -1.31 0.00 0.00 43.02 39.77 1rjj s PHE 6 CO 0.31 -0.49 -0.03 0.21 1.83 0.00 0.00 175.22 177.05 1rjj s LYS 7 N 0.61 3.06 -0.13 10.12 2.20 -1.21 -1.13 119.74 133.26 1rjj s LYS 7 Ca -0.11 -0.47 0.01 0.00 -0.36 0.00 0.00 55.97 55.03 1rjj s LYS 7 Cb -0.16 -2.76 0.02 0.00 -1.51 0.00 0.00 37.83 33.41 1rjj s LYS 7 CO 0.03 0.59 -0.15 -1.01 -0.36 0.00 0.00 175.35 174.45 1rjj s HIS 8 N -0.59 2.11 0.01 4.03 3.76 0.77 -2.69 115.29 122.69 1rjj s HIS 8 Ca 0.09 -1.08 0.03 0.00 -0.15 0.00 0.00 55.06 53.96 1rjj s HIS 8 Cb -0.12 -1.53 -0.01 0.00 1.11 0.00 0.00 32.58 32.03 1rjj s HIS 8 CO 0.02 -0.57 -0.10 -1.17 -0.85 0.00 0.00 174.74 172.07 1rjj s LEU 9 N 1.17 2.08 -0.04 0.89 0.20 -0.90 -0.17 118.68 121.91 1rjj s LEU 9 Ca -0.02 -0.27 0.03 0.00 0.69 0.00 0.00 54.13 54.56 1rjj s LEU 9 Cb -0.14 -0.48 0.00 0.00 -0.43 0.00 0.00 46.19 45.14 1rjj s LEU 9 CO -0.05 0.07 -0.12 0.54 -0.29 0.00 0.00 176.35 176.50 1rjj s VAL 10 N -0.48 1.03 -0.15 1.68 0.11 -0.84 -1.40 120.40 120.37 1rjj s VAL 10 Ca 0.02 -0.48 -0.02 0.00 -2.93 0.00 0.00 61.98 58.57 1rjj s VAL 10 Cb -0.05 -0.91 -0.02 0.00 -1.53 0.00 0.00 36.38 33.87 1rjj s VAL 10 CO 0.00 0.31 -0.10 -0.69 -3.33 0.00 0.00 175.10 171.30 1rjj s VAL 11 N 0.22 3.33 0.14 2.04 1.01 0.14 -2.68 120.40 124.60 1rjj s VAL 11 Ca -0.05 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1rjj s VAL 11 Cb -0.11 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1rjj s VAL 11 CO 0.01 0.51 -0.05 0.68 0.00 0.00 0.00 175.10 176.26 1rjj s VAL 12 N 0.45 0.79 0.08 2.92 -7.23 -0.94 -2.05 120.40 114.43 1rjj s VAL 12 Ca -0.07 -1.98 0.05 0.00 -1.81 0.00 0.00 61.98 58.16 1rjj s VAL 12 Cb -0.15 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 34.85 1rjj s VAL 12 CO 0.04 -0.68 -0.13 -0.75 -0.31 0.00 0.00 175.10 173.27 1rjj s LYS 13 N -3.85 0.81 0.04 4.82 2.47 -1.23 -3.13 119.74 119.67 1rjj s LYS 13 Ca 0.18 -0.99 0.04 0.00 -1.56 0.00 0.00 55.97 53.64 1rjj s LYS 13 Cb 0.05 -0.73 -0.04 0.00 -1.46 0.00 0.00 37.83 35.66 1rjj s LYS 13 CO 0.00 0.15 -0.03 -0.59 0.16 0.00 0.00 175.35 175.04 1rjj s PHE 14 N -1.54 2.95 0.00 4.03 -0.71 -1.26 0.17 117.98 121.61 1rjj s PHE 14 Ca -0.01 -0.02 0.00 0.00 -1.04 0.00 0.00 56.93 55.86 1rjj s PHE 14 Cb -0.08 -1.58 0.00 0.00 -1.21 0.00 0.00 43.02 40.15 1rjj s PHE 14 CO 0.02 0.44 0.00 0.36 -1.34 0.00 0.00 175.22 174.69 1rjj n LYS 15 N 1.08 3.02 -0.08 1.99 2.85 -1.26 -4.80 118.16 120.96 1rjj n LYS 15 Ca -0.13 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.04 1rjj n LYS 15 Cb 0.52 -0.75 -0.04 0.00 -0.65 0.00 0.00 35.03 34.12 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 -0.75 0.48 0.00 -1.58 -0.58 -1.26 -5.00 120.64 111.95 1rjj n GLU 16 Ca 0.00 0.50 0.00 0.00 -0.42 0.00 0.00 57.16 57.24 1rjj n GLU 16 Cb 0.01 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.20 1rjj n GLU 16 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1rjj n ASP 17 N -4.56 0.00 -4.55 1.62 8.00 -1.26 -5.10 116.55 110.69 1rjj n ASP 17 Ca -0.13 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 54.93 1rjj n ASP 17 Cb 0.37 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.43 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 0.25 -2.40 -3.53 -1.04 -1.26 -4.85 114.28 101.45 1rjj n THR 18 Ca 0.00 -0.44 -0.37 0.00 -2.04 0.00 0.00 64.05 61.20 1rjj n THR 18 Cb 0.00 -2.33 -0.03 0.00 -1.82 0.00 0.00 70.33 66.14 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 6.58 3.32 0.29 -2.82 0.00 -1.26 -4.77 119.74 121.08 1rjj s LYS 19 Ca 1.03 -1.10 -0.02 0.00 0.00 0.00 0.00 55.97 55.88 1rjj s LYS 19 Cb -0.46 -5.32 0.42 0.00 0.00 0.00 0.00 37.83 32.48 1rjj s LYS 19 CO 0.38 -2.66 1.91 -0.39 0.00 0.00 0.00 175.35 174.58 1rjj h VAL 20 N 6.61 1.22 -0.47 1.79 -1.51 -1.98 -0.75 116.25 121.15 1rjj h VAL 20 Ca 0.23 -0.57 -0.08 0.00 -1.23 0.00 0.00 66.70 65.05 1rjj h VAL 20 Cb 0.97 0.29 -0.02 0.00 -2.13 0.00 0.00 31.29 30.41 1rjj h VAL 20 CO 1.37 0.25 -0.02 0.44 -1.23 0.00 0.00 177.57 178.37 1rjj h ASP 21 N 0.98 0.83 0.16 4.19 3.32 -1.99 0.47 116.42 124.38 1rjj h ASP 21 Ca 0.25 -0.32 -0.09 0.00 0.02 0.00 0.00 57.03 56.89 1rjj h ASP 21 Cb 0.05 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1rjj h ASP 21 CO -0.04 0.95 -0.32 -0.08 -1.72 0.00 0.00 179.24 178.03 1rjj h GLU 22 N 0.70 0.26 -0.56 3.56 4.81 -1.88 -1.14 114.58 120.32 1rjj h GLU 22 Ca 0.13 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 1rjj h GLU 22 Cb 0.53 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1rjj h GLU 22 CO 0.03 0.56 -0.02 0.82 -0.73 0.00 0.00 179.01 179.66 1rjj h ILE 23 N 0.22 1.26 -0.83 2.32 2.04 -0.59 -1.77 117.51 120.17 1rjj h ILE 23 Ca 0.03 -1.14 0.16 0.00 1.00 0.00 0.00 64.86 64.91 1rjj h ILE 23 Cb 0.69 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.57 1rjj h ILE 23 CO 0.05 0.41 0.55 0.25 0.00 0.00 0.00 178.15 179.41 1rjj h LEU 24 N 0.90 0.47 -1.47 1.44 5.85 0.12 0.70 115.31 123.31 1rjj h LEU 24 Ca 0.16 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.92 1rjj h LEU 24 Cb 0.56 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1rjj h LEU 24 CO 0.03 0.23 0.36 0.11 -0.34 0.00 0.00 178.44 178.83 1rjj h LYS 25 N 0.49 0.71 0.44 1.25 6.56 -0.96 0.52 116.57 125.59 1rjj h LYS 25 Ca 0.42 -0.04 -0.02 0.00 -1.06 0.00 0.00 60.65 59.94 1rjj h LYS 25 Cb 0.89 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 32.40 1rjj h LYS 25 CO -0.16 0.47 -0.21 0.78 -2.06 0.00 0.00 179.45 178.27 1rjj h GLY 26 N 0.73 -0.61 0.13 3.86 0.00 0.40 0.77 103.07 108.36 1rjj h GLY 26 Ca 0.20 0.23 0.11 0.00 0.00 0.00 0.00 47.33 47.86 1rjj h GLY 26 CO -0.04 -0.22 0.04 -2.00 0.00 0.00 0.00 176.54 174.32 1rjj h LEU 27 N -0.61 -0.15 -1.28 3.11 6.46 -0.88 0.79 115.31 122.75 1rjj h LEU 27 Ca -0.06 0.12 0.12 0.00 -0.12 0.00 0.00 57.88 57.94 1rjj h LEU 27 Cb 0.46 0.20 -0.06 0.00 -0.73 0.00 0.00 40.66 40.53 1rjj h LEU 27 CO 0.10 -0.05 0.56 -0.33 -0.62 0.00 0.00 178.44 178.09 1rjj h GLU 28 N 0.16 0.73 -0.51 1.25 5.08 -0.45 0.27 114.58 121.11 1rjj h GLU 28 Ca 0.29 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1rjj h GLU 28 Cb 0.44 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1rjj h GLU 28 CO -0.43 0.48 0.27 -0.91 -1.00 0.00 0.00 179.01 177.42 1rjj h ASN 29 N 0.75 0.66 -0.64 1.42 2.35 0.29 -2.17 115.58 118.24 1rjj h ASN 29 Ca 0.42 -0.11 0.13 0.00 -0.55 0.00 0.00 56.30 56.19 1rjj h ASN 29 Cb 0.56 -0.17 -0.10 0.00 0.05 0.00 0.00 38.32 38.67 1rjj h ASN 29 CO -0.18 0.58 0.08 -0.07 -1.65 0.00 0.00 177.43 176.19 1rjj h LEU 30 N 0.68 -0.12 -1.85 1.61 -0.00 0.21 1.00 115.31 116.84 1rjj h LEU 30 Ca 0.18 0.14 0.17 0.00 -0.00 0.00 0.00 57.88 58.37 1rjj h LEU 30 Cb 0.08 0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.93 1rjj h LEU 30 CO -0.03 -0.06 0.60 0.58 -0.00 0.00 0.00 178.44 179.53 1rjj h VAL 31 N 0.19 0.34 -0.85 1.22 2.07 -0.75 0.14 116.25 118.62 1rjj h VAL 31 Ca 0.34 0.00 0.21 0.00 0.82 0.00 0.00 66.70 68.07 1rjj h VAL 31 Cb 0.55 0.53 -0.13 0.00 -1.52 0.00 0.00 31.29 30.73 1rjj h VAL 31 CO -0.49 0.00 0.27 -1.28 0.02 0.00 0.00 177.57 176.10 1rjj h SER 32 N 0.00 0.11 0.55 0.57 0.87 0.11 -0.87 113.55 114.89 1rjj h SER 32 Ca 0.28 0.17 -0.14 0.00 -1.23 0.00 0.00 61.79 60.87 1rjj h SER 32 Cb 1.47 0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 63.61 1rjj h SER 32 CO -0.00 -0.07 -1.56 0.00 -0.53 0.00 0.00 176.83 174.67 1rjj n GLN 33 N -5.14 0.63 0.00 2.24 0.00 0.47 -4.16 117.38 111.42 1rjj n GLN 33 Ca 0.20 0.11 0.00 0.00 0.00 0.00 0.00 57.00 57.30 1rjj n GLN 33 Cb 0.61 -1.73 0.00 0.00 0.00 0.00 0.00 30.24 29.12 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 -2.73 0.37 0.18 -0.39 5.41 -0.34 -3.51 119.36 118.35 1rjj n ILE 34 Ca -0.10 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.67 1rjj n ILE 34 Cb 0.78 -0.61 0.10 0.00 -0.71 0.00 0.00 39.64 39.20 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 0.53 0.00 0.00 4.38 8.00 -1.21 -0.08 116.55 128.18 1rjj n ASP 35 Ca 0.00 0.33 0.09 0.00 0.71 0.00 0.00 54.79 55.92 1rjj n ASP 35 Cb 0.24 -0.37 0.45 0.00 -0.02 0.00 0.00 41.12 41.42 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 -1.37 0.47 -2.18 -3.53 -2.24 -1.23 -4.81 114.28 99.39 1rjj n THR 36 Ca 0.02 0.12 -0.06 0.00 -2.27 0.00 0.00 64.05 61.86 1rjj n THR 36 Cb 0.04 -0.82 -0.01 0.00 -2.10 0.00 0.00 70.33 67.44 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 -1.29 0.00 -1.88 2.28 0.24 0.88 -4.63 118.33 113.94 1rjj n VAL 37 Ca 0.08 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.17 1rjj n VAL 37 Cb 0.15 -0.07 0.05 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 -1.93 3.24 -3.88 7.34 5.02 -1.26 -5.01 118.16 121.68 1rjj n LYS 38 Ca 0.02 -3.94 0.01 0.00 -2.02 0.00 0.00 58.31 52.37 1rjj n LYS 38 Cb 0.33 -2.20 0.01 0.00 -0.02 0.00 0.00 35.03 33.15 1rjj n LYS 38 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1rjj s SER 39 N -3.31 -0.01 0.05 4.39 0.01 -1.26 0.52 113.70 114.08 1rjj s SER 39 Ca 0.51 -0.34 -0.09 0.00 1.31 0.00 0.00 55.95 57.34 1rjj s SER 39 Cb 0.42 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.92 1rjj s SER 39 CO 0.02 -0.52 0.20 -0.36 0.41 0.00 0.00 173.24 172.99 1rjj s PHE 40 N -2.19 0.07 -0.26 2.43 0.08 0.53 -4.91 117.98 113.73 1rjj s PHE 40 Ca 0.24 -0.33 -0.15 0.00 0.12 0.00 0.00 56.93 56.81 1rjj s PHE 40 Cb -0.00 -0.03 0.08 0.00 -0.57 0.00 0.00 43.02 42.50 1rjj s PHE 40 CO 0.01 -0.46 0.64 -1.21 -0.10 0.00 0.00 175.22 174.10 1rjj s GLU 41 N -2.85 0.65 0.31 0.44 2.02 -1.26 -0.30 118.70 117.72 1rjj s GLU 41 Ca -0.03 1.18 0.02 0.00 0.02 0.00 0.00 54.97 56.16 1rjj s GLU 41 Cb 0.00 0.16 -0.02 0.00 0.10 0.00 0.00 34.13 34.38 1rjj s GLU 41 CO -0.05 -0.16 0.34 1.67 0.02 0.00 0.00 175.26 177.08 1rjj s TRP 42 N 1.70 1.36 0.21 1.61 -2.14 -1.16 -5.03 118.94 115.48 1rjj s TRP 42 Ca -0.10 -1.45 0.06 0.00 2.66 0.00 0.00 56.10 57.27 1rjj s TRP 42 Cb -0.06 -0.42 -0.05 0.00 -3.10 0.00 0.00 33.47 29.84 1rjj s TRP 42 CO -0.19 -0.95 -0.08 0.20 -2.66 0.00 0.00 176.95 173.27 1rjj s GLY 43 N -3.28 1.44 -0.08 3.67 0.00 -1.26 -3.21 107.32 104.60 1rjj s GLY 43 Ca 0.36 -1.69 -0.07 0.00 0.00 0.00 0.00 44.72 43.32 1rjj s GLY 43 CO 0.22 -1.71 0.22 -0.54 0.00 0.00 0.00 173.10 171.29 1rjj s GLU 44 N -3.74 0.24 0.11 2.90 2.02 -1.16 -4.98 118.70 114.10 1rjj s GLU 44 Ca 0.24 0.33 0.10 0.00 0.02 0.00 0.00 54.97 55.66 1rjj s GLU 44 Cb 0.03 0.07 -0.04 0.00 0.10 0.00 0.00 34.13 34.29 1rjj s GLU 44 CO 0.07 -0.05 -0.26 0.34 0.02 0.00 0.00 175.26 175.38 1rjj s ASP 45 N 0.32 3.12 -1.17 -0.19 2.15 -1.26 -1.33 116.67 118.31 1rjj s ASP 45 Ca -0.02 -0.71 -0.22 0.00 0.43 0.00 0.00 52.55 52.03 1rjj s ASP 45 Cb -0.03 -0.21 -0.07 0.00 -0.30 0.00 0.00 42.92 42.31 1rjj s ASP 45 CO -0.01 0.16 1.91 -1.59 -0.17 0.00 0.00 175.17 175.47 1rjj s LYS 46 N -1.92 2.67 -0.64 4.34 0.00 -1.22 -4.70 119.74 118.28 1rjj s LYS 46 Ca 0.12 -1.18 0.04 0.00 0.00 0.00 0.00 55.97 54.94 1rjj s LYS 46 Cb -0.10 -5.26 0.36 0.00 0.00 0.00 0.00 37.83 32.83 1rjj s LYS 46 CO 0.05 -3.73 1.21 0.39 0.00 0.00 0.00 175.35 173.27 1rjj n GLU 47 N 8.35 3.60 -3.14 1.78 1.02 -1.26 -4.89 120.64 126.10 1rjj n GLU 47 Ca 0.45 -4.65 -0.14 0.00 -0.02 0.00 0.00 57.16 52.80 1rjj n GLU 47 Cb 0.47 -2.28 -0.05 0.00 -0.02 0.00 0.00 31.44 29.56 1rjj n GLU 47 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1rjj s SER 48 N -2.98 0.07 0.16 1.62 0.15 -1.26 -5.07 113.70 106.40 1rjj s SER 48 Ca 0.47 -2.01 0.00 0.00 0.70 0.00 0.00 55.95 55.12 1rjj s SER 48 Cb 0.31 0.87 0.00 0.00 -1.71 0.00 0.00 66.02 65.48 1rjj s SER 48 CO -0.17 -0.15 0.00 1.41 1.20 0.00 0.00 173.24 175.53 1rjj n HIS 49 N 3.38 -4.37 -0.43 3.44 8.25 -1.26 -1.74 115.22 122.49 1rjj n HIS 49 Ca 0.19 2.63 0.36 0.00 -0.26 0.00 0.00 57.72 60.64 1rjj n HIS 49 Cb 0.51 -3.29 0.67 0.00 1.12 0.00 0.00 29.99 29.00 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 4.29 0.20 0.69 0.41 3.32 -1.95 0.53 116.42 123.91 1rjj h ASP 50 Ca 0.00 0.07 -0.20 0.00 0.02 0.00 0.00 57.03 56.93 1rjj h ASP 50 Cb 0.00 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1rjj h ASP 50 CO 0.00 -0.06 -0.91 0.00 -1.72 0.00 0.00 179.24 176.55 1rjj h MET 51 N 0.12 0.13 0.00 3.56 -0.00 -2.00 -3.12 114.93 113.62 1rjj h MET 51 Ca 0.73 -0.16 0.00 0.00 -0.00 0.00 0.00 59.70 60.27 1rjj h MET 51 Cb 2.46 0.05 0.00 0.00 -0.00 0.00 0.00 31.60 34.11 1rjj h MET 51 CO -0.24 0.95 -1.01 1.28 -0.00 0.00 0.00 176.91 177.89 1rjj n LEU 52 N -3.59 0.70 -0.83 -0.10 4.77 0.10 -4.06 117.00 114.00 1rjj n LEU 52 Ca -0.03 -0.21 0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1rjj n LEU 52 Cb 0.84 -0.08 0.28 0.00 -2.33 0.00 0.00 43.42 42.13 1rjj n LEU 52 CO 0.47 0.14 0.73 -2.11 -1.33 0.00 0.00 177.39 175.29 1rjj n ARG 53 N -1.72 2.12 -1.09 3.23 1.85 0.15 -4.91 116.66 116.29 1rjj n ARG 53 Ca 0.03 -1.65 -0.04 0.00 -1.00 0.00 0.00 57.85 55.19 1rjj n ARG 53 Cb 0.39 -1.47 -0.02 0.00 -1.05 0.00 0.00 32.46 30.31 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 0.93 -1.13 -0.29 2.89 1.13 -1.18 -2.43 117.38 117.30 1rjj n GLN 54 Ca 0.17 0.25 0.00 0.00 -1.94 0.00 0.00 57.00 55.48 1rjj n GLN 54 Cb 0.50 -4.28 0.00 0.00 0.11 0.00 0.00 30.24 26.56 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 -0.07 0.00 0.00 1.08 0.00 -1.25 -4.88 105.19 100.07 1rjj n GLY 55 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.50 0.00 0.08 1.61 3.72 -1.02 -5.00 117.46 116.35 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 0.07 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 1rjj n PHE 56 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1rjj n THR 57 N 0.00 0.15 -3.56 4.37 -1.04 -1.18 -4.76 114.28 108.25 1rjj n THR 57 Ca 0.00 0.05 -0.10 0.00 -2.04 0.00 0.00 64.05 61.96 1rjj n THR 57 Cb 0.00 -0.71 -0.04 0.00 -1.82 0.00 0.00 70.33 67.75 1rjj n THR 57 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1rjj s HIS 58 N -2.00 -0.36 -0.10 -1.42 5.65 -1.22 -3.37 115.29 112.47 1rjj s HIS 58 Ca 0.00 0.52 -0.03 0.00 0.25 0.00 0.00 55.06 55.80 1rjj s HIS 58 Cb 0.00 0.47 0.04 0.00 -1.18 0.00 0.00 32.58 31.92 1rjj s HIS 58 CO 0.00 -0.39 0.06 0.00 -0.65 0.00 0.00 174.74 173.76 1rjj s ALA 59 N -1.66 0.41 -0.07 1.58 0.00 -0.44 -2.20 121.76 119.38 1rjj s ALA 59 Ca 0.00 -0.08 -0.20 0.00 0.00 0.00 0.00 51.96 51.68 1rjj s ALA 59 Cb -0.01 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 1rjj s ALA 59 CO -0.01 -0.77 0.58 -0.06 0.00 0.00 0.00 175.76 175.50 1rjj s PHE 60 N 2.11 3.59 -0.15 0.00 0.40 -1.09 -2.97 117.98 119.86 1rjj s PHE 60 Ca 0.04 1.10 0.01 0.00 -0.60 0.00 0.00 56.93 57.48 1rjj s PHE 60 Cb -0.14 -2.64 0.02 0.00 0.51 0.00 0.00 43.02 40.77 1rjj s PHE 60 CO -0.06 0.21 -0.18 -1.12 0.70 0.00 0.00 175.22 174.77 1rjj s SER 61 N 0.40 2.92 -0.09 1.36 0.01 -1.20 -1.98 113.70 115.14 1rjj s SER 61 Ca 0.31 -0.57 0.03 0.00 1.31 0.00 0.00 55.95 57.03 1rjj s SER 61 Cb -0.17 -1.35 -0.02 0.00 0.21 0.00 0.00 66.02 64.70 1rjj s SER 61 CO 0.15 0.01 -0.17 -0.04 0.41 0.00 0.00 173.24 173.60 1rjj s MET 62 N 1.18 2.90 0.03 12.44 -1.94 0.76 -3.01 119.30 131.64 1rjj s MET 62 Ca 0.00 -0.75 0.08 0.00 -1.71 0.00 0.00 55.69 53.31 1rjj s MET 62 Cb -0.14 -2.43 -0.02 0.00 2.01 0.00 0.00 34.83 34.25 1rjj s MET 62 CO -0.08 0.38 -0.23 0.99 -0.01 0.00 0.00 175.02 176.07 1rjj s THR 63 N -0.12 1.84 0.27 2.05 2.01 0.60 -0.16 115.64 122.12 1rjj s THR 63 Ca -0.02 -1.18 0.11 0.00 0.31 0.00 0.00 61.69 60.91 1rjj s THR 63 Cb -0.14 -1.57 -0.05 0.00 0.01 0.00 0.00 72.50 70.76 1rjj s THR 63 CO 0.04 0.34 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.81 1rjj s PHE 64 N -0.72 2.42 0.09 4.92 0.40 -0.29 0.20 117.98 125.01 1rjj s PHE 64 Ca 0.09 -0.30 0.09 0.00 -0.60 0.00 0.00 56.93 56.22 1rjj s PHE 64 Cb -0.09 -1.06 -0.05 0.00 0.51 0.00 0.00 43.02 42.33 1rjj s PHE 64 CO 0.01 0.68 1.37 1.49 0.70 0.00 0.00 175.22 179.47 1rjj h GLU 65 N 2.18 0.00 0.00 0.44 4.81 -0.26 -2.96 114.58 118.79 1rjj h GLU 65 Ca -0.42 0.00 0.24 0.00 -0.13 0.00 0.00 59.36 59.06 1rjj h GLU 65 Cb 1.25 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.59 1rjj h GLU 65 CO 0.60 0.83 0.67 0.27 -0.73 0.00 0.00 179.01 180.65 1rjj n ASN 66 N -3.39 -1.11 0.22 1.04 6.94 -1.26 -4.40 115.26 113.30 1rjj n ASN 66 Ca 0.00 -1.36 0.08 0.00 -0.02 0.00 0.00 54.58 53.28 1rjj n ASN 66 Cb 0.84 1.74 0.52 0.00 -2.36 0.00 0.00 39.78 40.52 1rjj n ASN 66 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1rjj h LYS 67 N 0.00 0.00 -0.53 -3.83 1.57 -1.93 -3.03 116.57 108.81 1rjj h LYS 67 Ca -0.19 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 1rjj h LYS 67 Cb 0.97 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 1rjj h LYS 67 CO 0.27 0.25 0.27 0.22 -0.57 0.00 0.00 179.45 179.88 1rjj h ASP 68 N 0.00 0.68 0.31 0.86 3.58 -1.99 0.15 116.42 120.02 1rjj h ASP 68 Ca -0.00 -0.11 -0.13 0.00 0.42 0.00 0.00 57.03 57.21 1rjj h ASP 68 Cb 0.54 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 1rjj h ASP 68 CO 0.03 0.60 -0.51 1.23 -2.88 0.00 0.00 179.24 177.71 1rjj h GLY 69 N 0.71 0.25 0.86 -0.78 0.00 -1.85 -2.17 103.07 100.09 1rjj h GLY 69 Ca 0.18 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 1rjj h GLY 69 CO -0.03 0.24 -0.04 -1.82 0.00 0.00 0.00 176.54 174.89 1rjj h TYR 70 N 0.18 0.56 0.00 5.60 3.20 -1.29 -1.80 116.97 123.42 1rjj h TYR 70 Ca 0.01 -0.11 -0.10 0.00 3.14 0.00 0.00 58.73 61.66 1rjj h TYR 70 Cb 0.96 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 1rjj h TYR 70 CO 0.02 0.70 -0.48 -0.39 -1.64 0.00 0.00 178.16 176.36 1rjj h VAL 71 N 0.27 1.24 0.69 1.81 -1.51 -0.94 -2.70 116.25 115.12 1rjj h VAL 71 Ca 0.07 -1.71 -0.03 0.00 -1.23 0.00 0.00 66.70 63.80 1rjj h VAL 71 Cb 0.50 1.95 0.01 0.00 -2.13 0.00 0.00 31.29 31.61 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 -0.13 5.19 0.00 -1.16 -2.09 119.26 121.59 1rjj h ALA 72 Ca -0.00 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1rjj h ALA 72 Cb 0.91 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1rjj h ALA 72 CO 0.06 -0.93 -0.04 0.27 0.00 0.00 0.00 179.25 178.61 1rjj h PHE 73 N -1.16 -0.10 0.00 0.00 -5.15 -1.36 -2.17 116.94 107.01 1rjj h PHE 73 Ca -0.09 0.01 -0.02 0.00 -0.20 0.00 0.00 57.97 57.67 1rjj h PHE 73 Cb 0.71 0.06 -0.00 0.00 0.22 0.00 0.00 35.95 36.94 1rjj h PHE 73 CO 0.02 -0.07 -0.11 0.00 -2.00 0.00 0.00 178.31 176.15 1rjj h THR 74 N -0.02 0.89 0.00 0.88 1.03 -1.55 -2.66 112.91 111.48 1rjj h THR 74 Ca 0.07 -0.39 0.00 0.00 -0.01 0.00 0.00 66.41 66.08 1rjj h THR 74 Cb 0.12 1.22 0.00 0.00 -1.07 0.00 0.00 68.15 68.42 1rjj h THR 74 CO -0.15 0.11 0.00 -1.54 -0.01 0.00 0.00 175.52 173.93 1rjj n SER 75 N -4.15 0.06 -4.36 0.00 3.41 -0.79 -4.60 113.62 103.19 1rjj n SER 75 Ca -0.03 -0.20 -0.27 0.00 -0.26 0.00 0.00 58.87 58.12 1rjj n SER 75 Cb 0.19 -0.03 -0.12 0.00 -0.26 0.00 0.00 64.21 63.98 1rjj n SER 75 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1rjj s HIS 76 N -1.39 2.11 -1.75 7.33 -3.43 -1.01 -5.01 115.29 112.15 1rjj s HIS 76 Ca 0.00 -0.40 0.00 0.00 -0.80 0.00 0.00 55.06 53.86 1rjj s HIS 76 Cb 0.00 -1.12 0.00 0.00 -1.43 0.00 0.00 32.58 30.03 1rjj s HIS 76 CO 0.00 0.33 0.76 -0.35 -2.00 0.00 0.00 174.74 173.48 1rjj n PRO 77 N 0.80 0.87 0.10 -0.38 -0.04 -1.26 -3.79 135.00 131.30 1rjj n PRO 77 Ca -0.17 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.25 1rjj n PRO 77 Cb 0.54 -1.11 0.04 0.00 -0.04 0.00 0.00 33.50 32.93 1rjj n PRO 77 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1rjj h LEU 78 N 0.03 0.00 0.16 1.53 6.46 -1.91 -3.21 115.31 118.37 1rjj h LEU 78 Ca 0.00 0.00 -0.32 0.00 -0.12 0.00 0.00 57.88 57.44 1rjj h LEU 78 Cb 0.11 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.05 1rjj h LEU 78 CO 0.00 0.78 -1.57 -0.74 -0.62 0.00 0.00 178.44 176.29 1rjj h HIS 79 N 0.00 0.62 0.66 1.25 2.76 -1.91 -3.04 115.15 115.49 1rjj h HIS 79 Ca -0.01 -0.45 -0.03 0.00 -2.20 0.00 0.00 60.37 57.69 1rjj h HIS 79 Cb 1.40 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.33 1rjj h HIS 79 CO 0.00 1.61 -0.43 -0.24 -1.30 0.00 0.00 177.93 177.58 1rjj h VAL 80 N -0.07 0.14 -0.95 5.26 3.04 -1.80 2.25 116.25 124.11 1rjj h VAL 80 Ca -0.32 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 65.42 1rjj h VAL 80 Cb 1.95 0.14 -0.06 0.00 -2.01 0.00 0.00 31.29 31.31 1rjj h VAL 80 CO 0.13 0.00 0.62 -0.08 -1.01 0.00 0.00 177.57 177.24 1rjj h GLU 81 N -1.04 1.12 -0.29 4.17 4.22 -1.74 -1.30 114.58 119.72 1rjj h GLU 81 Ca -0.08 -0.07 -0.17 0.00 0.08 0.00 0.00 59.36 59.12 1rjj h GLU 81 Cb 0.84 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1rjj h GLU 81 CO 0.07 0.74 -0.47 0.35 -2.18 0.00 0.00 179.01 177.52 1rjj h PHE 82 N 1.15 1.04 -0.74 0.92 3.57 -1.29 -3.15 116.94 118.44 1rjj h PHE 82 Ca 0.40 -0.36 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1rjj h PHE 82 Cb 0.10 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.60 1rjj h PHE 82 CO -0.00 1.17 0.40 0.66 -2.23 0.00 0.00 178.31 178.30 1rjj h SER 83 N 0.61 0.93 0.18 0.41 4.64 0.44 0.89 113.55 121.65 1rjj h SER 83 Ca 0.02 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1rjj h SER 83 Cb 1.07 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 1rjj h SER 83 CO 0.11 0.76 -0.16 0.00 -0.87 0.00 0.00 176.83 176.66 1rjj h ALA 84 N 1.39 -0.34 -0.39 5.18 0.00 -1.22 -2.20 119.26 121.68 1rjj h ALA 84 Ca 0.26 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 1rjj h ALA 84 Cb 0.04 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1rjj h ALA 84 CO -0.04 -0.71 -0.30 0.00 0.00 0.00 0.00 179.25 178.20 1rjj h ALA 85 N 0.42 0.56 -1.52 0.00 0.00 -1.45 -2.32 119.26 114.94 1rjj h ALA 85 Ca -0.00 -0.42 0.44 0.00 0.00 0.00 0.00 54.91 54.93 1rjj h ALA 85 Cb 0.34 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 1rjj h ALA 85 CO -0.03 0.60 1.09 0.35 0.00 0.00 0.00 179.25 181.26 1rjj h PHE 86 N 0.70 0.05 0.00 0.00 3.57 0.12 0.38 116.94 121.76 1rjj h PHE 86 Ca 0.07 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1rjj h PHE 86 Cb 0.89 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.61 1rjj h PHE 86 CO 0.06 -0.01 -0.13 1.15 -2.23 0.00 0.00 178.31 177.15 1rjj h THR 87 N 0.02 0.00 -1.21 4.41 2.02 -0.88 -3.25 112.91 114.01 1rjj h THR 87 Ca 0.73 -0.82 0.35 0.00 0.77 0.00 0.00 66.41 67.45 1rjj h THR 87 Cb 2.89 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 69.25 1rjj h THR 87 CO -0.04 0.00 1.11 0.00 0.37 0.00 0.00 175.52 176.96 1rjj n ALA 88 N -2.88 1.16 -0.72 6.16 0.00 -0.10 0.39 120.51 124.53 1rjj n ALA 88 Ca -0.02 0.40 0.09 0.00 0.00 0.00 0.00 53.44 53.91 1rjj n ALA 88 Cb 0.07 -0.70 0.35 0.00 0.00 0.00 0.00 19.45 19.18 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 -3.22 2.11 -4.38 0.00 0.24 -0.07 -4.96 118.33 108.06 1rjj n VAL 89 Ca 0.27 -1.32 -0.21 0.00 -2.04 0.00 0.00 64.34 61.04 1rjj n VAL 89 Cb 1.47 -0.01 -0.10 0.00 -1.47 0.00 0.00 33.84 33.73 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 -2.17 1.96 -0.20 1.34 1.01 1.27 -4.44 121.20 119.97 1rjj s ILE 90 Ca 0.50 -2.22 0.10 0.00 0.00 0.00 0.00 60.65 59.03 1rjj s ILE 90 Cb 0.35 -2.08 -0.19 0.00 0.01 0.00 0.00 42.46 40.55 1rjj s ILE 90 CO 0.20 -0.49 -0.06 -0.67 0.00 0.00 0.00 174.94 173.92 1rjj n ASP 91 N -0.33 1.32 -3.82 3.58 -0.08 0.46 -4.74 116.55 112.94 1rjj n ASP 91 Ca -0.08 -0.06 -0.12 0.00 -1.51 0.00 0.00 54.79 53.02 1rjj n ASP 91 Cb 0.60 0.35 -0.11 0.00 2.34 0.00 0.00 41.12 44.30 1rjj n ASP 91 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1rjj s LYS 92 N -2.45 0.35 -0.15 -0.67 -2.85 -1.22 -4.95 119.74 107.80 1rjj s LYS 92 Ca -0.19 0.05 0.01 0.00 -1.00 0.00 0.00 55.97 54.84 1rjj s LYS 92 Cb 0.07 0.16 0.02 0.00 -2.06 0.00 0.00 37.83 36.01 1rjj s LYS 92 CO 0.64 -0.07 -0.19 -1.50 0.10 0.00 0.00 175.35 174.34 1rjj s ILE 93 N -0.44 1.89 -0.07 3.79 1.10 -1.26 -3.53 121.20 122.68 1rjj s ILE 93 Ca -0.05 -0.85 0.03 0.00 -0.51 0.00 0.00 60.65 59.26 1rjj s ILE 93 Cb -0.04 -1.71 0.01 0.00 0.15 0.00 0.00 42.46 40.87 1rjj s ILE 93 CO 0.01 0.51 -0.14 -0.69 -2.11 0.00 0.00 174.94 172.53 1rjj s VAL 94 N 1.16 1.24 -0.03 4.00 1.01 -0.87 -4.98 120.40 121.92 1rjj s VAL 94 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1rjj s VAL 94 Cb -0.14 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.14 1rjj s VAL 94 CO -0.08 0.38 -0.04 -0.76 0.00 0.00 0.00 175.10 174.60 1rjj s LEU 95 N 0.59 1.43 -0.11 3.92 1.02 -1.26 0.26 118.68 124.53 1rjj s LEU 95 Ca -0.14 -0.10 0.03 0.00 0.02 0.00 0.00 54.13 53.93 1rjj s LEU 95 Cb -0.16 -0.37 0.01 0.00 0.02 0.00 0.00 46.19 45.69 1rjj s LEU 95 CO 0.04 -0.04 -0.19 -0.76 0.02 0.00 0.00 176.35 175.42 1rjj s LEU 96 N 0.72 1.92 -0.06 1.79 1.02 -0.49 -4.97 118.68 118.62 1rjj s LEU 96 Ca -0.09 -0.50 0.04 0.00 0.02 0.00 0.00 54.13 53.60 1rjj s LEU 96 Cb -0.12 -1.25 0.00 0.00 0.02 0.00 0.00 46.19 44.84 1rjj s LEU 96 CO -0.00 0.07 -0.17 -1.81 0.02 0.00 0.00 176.35 174.46 1rjj s ASP 97 N 0.73 2.20 -0.22 2.29 1.01 -1.26 -2.11 116.67 119.31 1rjj s ASP 97 Ca -0.11 -0.37 -0.12 0.00 0.71 0.00 0.00 52.55 52.67 1rjj s ASP 97 Cb -0.16 -0.76 0.07 0.00 1.01 0.00 0.00 42.92 43.08 1rjj s ASP 97 CO 0.02 0.13 0.54 0.12 0.21 0.00 0.00 175.17 176.18 1rjj s PHE 98 N 0.22 -0.84 0.13 4.23 5.36 -1.10 -4.99 117.98 120.99 1rjj s PHE 98 Ca -0.08 1.70 -0.34 0.00 -0.96 0.00 0.00 56.93 57.25 1rjj s PHE 98 Cb -0.13 0.45 -0.17 0.00 -0.34 0.00 0.00 43.02 42.83 1rjj s PHE 98 CO 0.03 -0.45 1.11 -2.30 -1.46 0.00 0.00 175.22 172.16 1rjj n PRO 99 N 4.43 0.84 -4.26 10.12 -0.02 -1.26 -3.31 135.00 141.54 1rjj n PRO 99 Ca -0.20 0.30 -0.34 0.00 -2.02 0.00 0.00 63.50 61.24 1rjj n PRO 99 Cb 0.56 -1.77 -0.12 0.00 -0.02 0.00 0.00 33.50 32.15 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 -0.14 4.13 -1.03 -1.45 1.01 0.58 -4.88 120.40 118.61 1rjj s VAL 100 Ca 0.77 -0.27 -0.09 0.00 0.00 0.00 0.00 61.98 62.39 1rjj s VAL 100 Cb -0.95 -2.83 0.26 0.00 0.00 0.00 0.00 36.38 32.86 1rjj s VAL 100 CO 0.53 0.48 1.00 0.00 0.00 0.00 0.00 175.10 177.11 1rjj s ALA 101 N 0.43 4.55 -0.89 5.51 0.00 -1.26 0.02 121.76 130.12 1rjj s ALA 101 Ca -0.02 -3.75 -0.25 0.00 0.00 0.00 0.00 51.96 47.94 1rjj s ALA 101 Cb -0.14 -3.46 -0.20 0.00 0.00 0.00 0.00 23.12 19.32 1rjj s ALA 101 CO 0.02 -2.21 1.93 0.00 0.00 0.00 0.00 175.76 175.51 1rjj n ALA 102 N 2.89 1.40 0.00 0.00 0.00 -1.26 -3.35 120.51 120.19 1rjj n ALA 102 Ca 0.22 -2.77 0.00 0.00 0.00 0.00 0.00 53.44 50.89 1rjj n ALA 102 Cb 0.40 -3.51 0.00 0.00 0.00 0.00 0.00 19.45 16.34 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 7.79 0.00 0.00 0.00 0.24 -1.26 -5.06 118.33 120.04 1rjj n VAL 103 Ca 0.45 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.75 1rjj n VAL 103 Cb 0.45 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 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 -0.42 0.00 -0.07 7.34 4.76 -1.21 -4.44 118.16 124.12 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 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 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 0.00 0.00 -4.68 4.39 7.64 -1.26 -4.90 113.62 114.81 1rjj n SER 105 Ca 0.00 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.43 1rjj n SER 105 Cb 0.00 -1.04 -0.03 0.00 -1.01 0.00 0.00 64.21 62.13 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 3.03 -2.83 6.43 2.88 -1.26 -4.88 113.62 116.98 1rjj n SER 106 Ca 0.00 1.13 -0.00 0.00 -1.33 0.00 0.00 58.87 58.66 1rjj n SER 106 Cb 0.00 -1.46 0.05 0.00 -0.75 0.00 0.00 64.21 62.06 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 2.37 1.22 -4.19 2.46 3.14 -1.26 -5.07 118.33 116.99 1rjj n VAL 107 Ca 0.13 -2.85 -0.17 0.00 -2.96 0.00 0.00 64.34 58.49 1rjj n VAL 107 Cb 0.32 1.30 -0.15 0.00 -1.06 0.00 0.00 33.84 34.25 1rjj n VAL 107 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1rjj s VAL 108 N -3.66 0.47 0.85 1.55 0.11 -1.26 -5.15 120.40 113.31 1rjj s VAL 108 Ca 0.26 -0.24 -0.09 0.00 -2.93 0.00 0.00 61.98 58.98 1rjj s VAL 108 Cb 0.33 -0.41 0.16 0.00 -1.53 0.00 0.00 36.38 34.93 1rjj s VAL 108 CO -0.04 0.14 1.17 0.00 -3.33 0.00 0.00 175.10 173.04 1rjj s ALA 109 N -0.03 2.90 -0.42 1.54 0.00 -1.26 -5.05 121.76 119.43 1rjj s ALA 109 Ca 0.01 -1.40 0.08 0.00 0.00 0.00 0.00 51.96 50.65 1rjj s ALA 109 Cb -0.04 -2.45 0.25 0.00 0.00 0.00 0.00 23.12 20.88 1rjj s ALA 109 CO -0.00 -1.96 0.55 0.25 0.00 0.00 0.00 175.76 174.60 1rjj n THR 110 N -3.33 -0.31 1.97 0.00 -2.24 -1.26 -5.29 114.28 103.81 1rjj n THR 110 Ca 0.15 -4.16 0.16 0.00 -2.27 0.00 0.00 64.05 57.92 1rjj n THR 110 Cb 0.60 -1.98 0.93 0.00 -2.10 0.00 0.00 70.33 67.78 1rjj n THR 110 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69