#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1slj n SER 31 N 0.00 0.92 0.00 1.61 3.41 -1.26 -4.98 113.62 113.32 1slj n SER 31 Ca 0.00 -1.28 0.00 0.00 -0.26 0.00 0.00 58.87 57.33 1slj n SER 31 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1slj n SER 31 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1slj n HIS 32 N -0.14 0.00 0.16 7.33 -0.00 -1.26 -4.68 115.22 116.63 1slj n HIS 32 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.76 1slj n HIS 32 Cb 0.20 -0.31 0.15 0.00 -0.00 0.00 0.00 29.99 30.03 1slj n HIS 32 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.34 176.86 1slj h MET 33 N 0.61 0.00 0.00 -0.41 2.86 -1.93 -0.14 114.93 115.91 1slj h MET 33 Ca 0.00 0.00 -0.42 0.00 -2.06 0.00 0.00 59.70 57.22 1slj h MET 33 Cb 0.00 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.60 1slj h MET 33 CO 0.00 0.45 -2.41 1.28 1.06 0.00 0.00 176.91 177.29 1slj n LEU 34 N -3.32 1.99 0.05 1.22 4.77 -1.26 -4.68 117.00 115.77 1slj n LEU 34 Ca 0.01 0.24 -0.20 0.00 -0.03 0.00 0.00 56.01 56.03 1slj n LEU 34 Cb 0.65 -0.76 -0.13 0.00 -2.33 0.00 0.00 43.42 40.85 1slj n LEU 34 CO 0.39 0.59 0.07 -0.33 -1.33 0.00 0.00 177.39 176.78 1slj h GLU 35 N -0.76 0.42 0.00 3.23 3.07 -1.87 -3.47 114.58 115.20 1slj h GLU 35 Ca -0.63 -0.59 0.00 0.00 -0.50 0.00 0.00 59.36 57.65 1slj h GLU 35 Cb 1.61 0.20 0.00 0.00 -0.84 0.00 0.00 28.75 29.72 1slj h GLU 35 CO -0.34 1.24 0.00 0.94 -1.40 0.00 0.00 179.01 179.45 1slj n GLN 36 N -4.06 0.00 0.00 2.33 -0.06 -0.07 -1.76 117.38 113.76 1slj n GLN 36 Ca -0.13 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.87 1slj n GLN 36 Cb 0.83 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 27.01 1slj n GLN 36 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1slj n LYS 37 N 0.00 4.07 -1.65 3.69 4.76 -1.26 -4.89 118.16 122.88 1slj n LYS 37 Ca 0.00 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.14 1slj n LYS 37 Cb 0.00 -0.34 0.22 0.00 -1.84 0.00 0.00 35.03 33.08 1slj n LYS 37 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1slj s LYS 38 N 0.00 -0.34 0.48 1.97 -2.85 -0.72 -5.05 119.74 113.23 1slj s LYS 38 Ca 0.00 -0.43 -0.11 0.00 -1.00 0.00 0.00 55.97 54.43 1slj s LYS 38 Cb 0.00 -1.73 -0.06 0.00 -2.06 0.00 0.00 37.83 33.98 1slj s LYS 38 CO 0.00 -3.07 0.86 0.00 0.10 0.00 0.00 175.35 173.25 1slj s ALA 39 N -3.65 3.26 -0.37 0.59 0.00 -1.26 -4.80 121.76 115.52 1slj s ALA 39 Ca 0.75 -0.17 -0.35 0.00 0.00 0.00 0.00 51.96 52.19 1slj s ALA 39 Cb -0.04 -2.83 -0.12 0.00 0.00 0.00 0.00 23.12 20.14 1slj s ALA 39 CO 0.55 -0.26 2.21 -1.71 0.00 0.00 0.00 175.76 176.54 1slj n ASN 40 N -1.84 2.05 -4.78 0.00 4.05 -1.26 -4.87 115.26 108.62 1slj n ASN 40 Ca 0.03 0.39 -0.38 0.00 0.45 0.00 0.00 54.58 55.08 1slj n ASN 40 Cb 0.54 -1.25 -0.06 0.00 1.23 0.00 0.00 39.78 40.24 1slj n ASN 40 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1slj s ILE 41 N 7.44 4.00 0.05 -1.44 1.10 -1.26 -4.22 121.20 126.87 1slj s ILE 41 Ca 1.10 1.70 0.08 0.00 -0.51 0.00 0.00 60.65 63.01 1slj s ILE 41 Cb -0.87 -3.96 -0.03 0.00 0.15 0.00 0.00 42.46 37.76 1slj s ILE 41 CO 0.49 0.17 -0.22 -0.31 -2.11 0.00 0.00 174.94 172.96 1slj s TYR 42 N -1.53 1.91 -0.31 3.50 2.02 0.22 -4.94 117.35 118.22 1slj s TYR 42 Ca 0.50 -0.38 0.01 0.00 -0.37 0.00 0.00 57.07 56.83 1slj s TYR 42 Cb -0.22 -1.13 0.08 0.00 -0.40 0.00 0.00 41.96 40.29 1slj s TYR 42 CO 0.27 0.10 0.01 0.21 -1.57 0.00 0.00 175.55 174.58 1slj s LYS 43 N -1.22 2.04 0.34 -0.62 2.36 -1.26 -0.53 119.74 120.86 1slj s LYS 43 Ca 0.08 -1.55 0.03 0.00 -2.55 0.00 0.00 55.97 51.99 1slj s LYS 43 Cb -0.09 -3.15 -0.01 0.00 -1.05 0.00 0.00 37.83 33.52 1slj s LYS 43 CO 0.02 -0.76 0.38 0.20 1.55 0.00 0.00 175.35 176.74 1slj s GLY 44 N 1.19 1.98 0.30 5.54 0.00 -1.06 -4.95 107.32 110.32 1slj s GLY 44 Ca 0.00 -1.83 0.08 0.00 0.00 0.00 0.00 44.72 42.97 1slj s GLY 44 CO -0.05 -1.25 0.15 0.54 0.00 0.00 0.00 173.10 172.49 1slj s LYS 45 N -3.19 2.56 0.22 2.90 1.02 -1.26 -0.63 119.74 121.37 1slj s LYS 45 Ca 0.36 -1.35 -0.30 0.00 0.02 0.00 0.00 55.97 54.70 1slj s LYS 45 Cb 0.01 -2.33 -0.09 0.00 -0.52 0.00 0.00 37.83 34.91 1slj s LYS 45 CO 0.25 0.23 1.19 0.42 -0.92 0.00 0.00 175.35 176.52 1slj s ILE 46 N -2.31 3.45 0.00 2.17 1.09 -0.25 -2.79 121.20 122.56 1slj s ILE 46 Ca 0.36 1.29 0.00 0.00 -1.10 0.00 0.00 60.65 61.20 1slj s ILE 46 Cb -0.05 -3.83 0.00 0.00 -1.06 0.00 0.00 42.46 37.52 1slj s ILE 46 CO 0.23 0.24 0.00 0.35 -0.10 0.00 0.00 174.94 175.67 1slj n THR 47 N 2.01 0.00 -3.66 2.92 -2.24 0.17 -1.13 114.28 112.35 1slj n THR 47 Ca 0.03 -0.08 -0.07 0.00 -2.27 0.00 0.00 64.05 61.66 1slj n THR 47 Cb 0.44 0.48 -0.08 0.00 -2.10 0.00 0.00 70.33 69.07 1slj n THR 47 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1slj s ARG 48 N -1.14 0.42 -0.30 -0.78 3.52 -1.13 -4.96 118.95 114.58 1slj s ARG 48 Ca 0.00 1.13 0.02 0.00 -0.13 0.00 0.00 55.73 56.75 1slj s ARG 48 Cb 0.00 0.43 0.09 0.00 -1.56 0.00 0.00 34.95 33.91 1slj s ARG 48 CO 0.00 -0.22 0.04 0.42 -0.81 0.00 0.00 175.30 174.73 1slj s ILE 49 N 2.50 1.62 -0.44 4.11 1.01 -1.26 0.59 121.20 129.32 1slj s ILE 49 Ca -0.04 -1.75 -0.16 0.00 0.00 0.00 0.00 60.65 58.70 1slj s ILE 49 Cb -0.11 -2.12 0.04 0.00 0.01 0.00 0.00 42.46 40.28 1slj s ILE 49 CO -0.15 -0.51 0.37 -0.70 0.00 0.00 0.00 174.94 173.96 1slj s GLU 50 N 1.27 3.00 0.53 2.79 2.56 -1.13 -4.94 118.70 122.78 1slj s GLU 50 Ca 0.07 -1.09 0.21 0.00 0.00 0.00 0.00 54.97 54.16 1slj s GLU 50 Cb -0.18 -4.04 1.35 0.00 2.00 0.00 0.00 34.13 33.26 1slj s GLU 50 CO -0.14 -0.89 2.07 -1.35 -0.56 0.00 0.00 175.26 174.39 1slj h PRO 51 N 8.71 0.00 -0.01 4.30 0.11 -1.98 -0.59 132.00 142.54 1slj h PRO 51 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1slj h PRO 51 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1slj h PRO 51 CO 0.81 0.00 0.01 0.77 -0.21 0.00 0.00 178.00 179.37 1slj h SER 52 N 0.00 0.00 0.00 -2.05 0.02 -1.97 -2.78 113.55 106.78 1slj h SER 52 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1slj h SER 52 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1slj h SER 52 CO -0.00 0.00 -0.01 0.00 -1.14 0.00 0.00 176.83 175.68 1slj n LEU 53 N -4.50 1.78 -4.14 5.07 -0.00 -0.49 -5.03 117.00 109.69 1slj n LEU 53 Ca -0.03 -1.88 -0.44 0.00 -0.00 0.00 0.00 56.01 53.66 1slj n LEU 53 Cb 0.10 -0.05 -0.00 0.00 -0.00 0.00 0.00 43.42 43.47 1slj n LEU 53 CO 0.34 0.46 -0.23 -1.84 -0.00 0.00 0.00 177.39 176.12 1slj n GLU 54 N -0.54 -0.34 -3.48 1.47 0.28 -0.35 -4.87 120.64 112.81 1slj n GLU 54 Ca 0.02 0.05 -0.10 0.00 -0.16 0.00 0.00 57.16 56.97 1slj n GLU 54 Cb 0.33 -2.64 -0.02 0.00 1.43 0.00 0.00 31.44 30.54 1slj n GLU 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1slj s ALA 55 N -3.71 -1.67 -0.01 -1.84 0.00 -1.24 -1.65 121.76 111.64 1slj s ALA 55 Ca 0.40 0.65 0.08 0.00 0.00 0.00 0.00 51.96 53.08 1slj s ALA 55 Cb -0.22 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 1slj s ALA 55 CO 0.98 -0.76 -0.25 0.00 0.00 0.00 0.00 175.76 175.73 1slj s ALA 56 N -3.50 2.11 -0.14 0.00 0.00 -0.33 -2.83 121.76 117.07 1slj s ALA 56 Ca 0.03 -1.12 -0.15 0.00 0.00 0.00 0.00 51.96 50.73 1slj s ALA 56 Cb -0.01 -0.52 -0.05 0.00 0.00 0.00 0.00 23.12 22.54 1slj s ALA 56 CO -0.10 0.51 0.34 -0.06 0.00 0.00 0.00 175.76 176.45 1slj s PHE 57 N -0.63 3.49 -0.13 0.00 0.40 0.20 -0.77 117.98 120.53 1slj s PHE 57 Ca 0.10 0.68 -0.02 0.00 -0.60 0.00 0.00 56.93 57.09 1slj s PHE 57 Cb -0.10 -2.38 -0.03 0.00 0.51 0.00 0.00 43.02 41.03 1slj s PHE 57 CO -0.00 0.25 -0.06 0.08 0.70 0.00 0.00 175.22 176.19 1slj s VAL 58 N 0.39 3.72 -0.49 -0.44 1.01 0.16 0.43 120.40 125.18 1slj s VAL 58 Ca 0.19 -0.43 -0.15 0.00 0.00 0.00 0.00 61.98 61.59 1slj s VAL 58 Cb -0.14 -2.59 0.09 0.00 0.00 0.00 0.00 36.38 33.74 1slj s VAL 58 CO 0.06 0.53 0.42 -0.62 0.00 0.00 0.00 175.10 175.48 1slj s ASP 59 N 0.06 6.10 -0.55 3.32 -1.08 -1.12 -0.40 116.67 123.01 1slj s ASP 59 Ca -0.01 -1.51 0.07 0.00 -0.52 0.00 0.00 52.55 50.57 1slj s ASP 59 Cb -0.14 -2.17 0.28 0.00 -1.46 0.00 0.00 42.92 39.43 1slj s ASP 59 CO 0.03 -0.71 0.75 0.00 0.52 0.00 0.00 175.17 175.76 1slj n TYR 60 N 5.18 2.57 -2.67 -5.34 4.11 -1.26 -4.52 117.16 115.24 1slj n TYR 60 Ca -0.13 -3.96 -0.18 0.00 -0.00 0.00 0.00 57.90 53.63 1slj n TYR 60 Cb 0.42 -0.49 0.00 0.00 -0.00 0.00 0.00 39.34 39.28 1slj n TYR 60 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1slj n GLY 61 N 0.65 -0.50 3.49 -7.48 0.00 -1.26 -4.96 105.19 95.13 1slj n GLY 61 Ca 0.28 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 1slj n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1slj s ALA 62 N -2.88 2.77 -0.04 4.61 0.00 -1.26 -5.03 121.76 119.93 1slj s ALA 62 Ca 0.11 -0.93 -0.21 0.00 0.00 0.00 0.00 51.96 50.93 1slj s ALA 62 Cb -0.05 -1.12 -0.32 0.00 0.00 0.00 0.00 23.12 21.63 1slj s ALA 62 CO 0.14 0.50 0.89 0.93 0.00 0.00 0.00 175.76 178.21 1slj h GLU 63 N 5.60 0.31 0.00 0.00 4.39 -1.96 -3.25 114.58 119.67 1slj h GLU 63 Ca -0.43 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 58.73 1slj h GLU 63 Cb 1.17 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 1slj h GLU 63 CO 0.52 1.26 0.00 0.00 -1.16 0.00 0.00 179.01 179.63 1slj h ARG 64 N -0.34 0.00 -2.24 2.33 2.47 -1.97 -3.50 114.38 111.14 1slj h ARG 64 Ca -0.16 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 1slj h ARG 64 Cb 1.68 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.00 1slj h ARG 64 CO 0.16 0.00 -0.57 0.72 0.56 0.00 0.00 179.97 180.84 1slj n HIS 65 N -2.55 -2.60 -2.28 3.04 8.25 -1.23 -4.72 115.22 113.14 1slj n HIS 65 Ca 0.04 1.40 -0.42 0.00 -0.26 0.00 0.00 57.72 58.49 1slj n HIS 65 Cb 0.42 -2.41 -0.03 0.00 1.12 0.00 0.00 29.99 29.10 1slj n HIS 65 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1slj s GLY 66 N -3.92 0.82 -0.48 -1.41 0.00 0.46 -4.07 107.32 98.73 1slj s GLY 66 Ca 0.00 -0.43 -0.18 0.00 0.00 0.00 0.00 44.72 44.11 1slj s GLY 66 CO 0.00 2.95 0.53 -0.12 0.00 0.00 0.00 173.10 176.46 1slj s PHE 67 N 6.48 3.12 -0.30 1.90 5.36 0.20 0.40 117.98 135.14 1slj s PHE 67 Ca 0.60 -0.61 -0.14 0.00 -0.96 0.00 0.00 56.93 55.83 1slj s PHE 67 Cb -0.13 -3.32 -0.03 0.00 -0.34 0.00 0.00 43.02 39.20 1slj s PHE 67 CO 0.27 -0.91 0.31 -1.17 -1.46 0.00 0.00 175.22 172.27 1slj s LEU 68 N 2.28 4.16 0.33 6.12 0.20 0.05 -1.51 118.68 130.32 1slj s LEU 68 Ca 0.12 0.03 -0.28 0.00 0.69 0.00 0.00 54.13 54.69 1slj s LEU 68 Cb -0.20 -2.30 -0.10 0.00 -0.43 0.00 0.00 46.19 43.16 1slj s LEU 68 CO 0.11 -0.19 1.21 -2.84 -0.29 0.00 0.00 176.35 174.35 1slj s PRO 69 N 1.95 4.36 0.45 0.98 0.02 -1.26 -1.18 135.00 140.32 1slj s PRO 69 Ca 0.11 2.00 0.14 0.00 0.02 0.00 0.00 61.00 63.28 1slj s PRO 69 Cb -0.16 -3.00 1.07 0.00 0.02 0.00 0.00 34.50 32.42 1slj s PRO 69 CO 0.11 -0.11 2.02 1.25 -0.33 0.00 0.00 177.00 179.94 1slj h LEU 70 N 3.31 0.30 -2.88 -5.54 5.85 -1.65 -0.74 115.31 113.96 1slj h LEU 70 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1slj h LEU 70 Cb 1.22 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 1slj h LEU 70 CO 0.65 0.19 0.01 0.07 -0.34 0.00 0.00 178.44 179.02 1slj h LYS 71 N 0.34 0.00 0.00 1.25 2.10 -1.91 -0.14 116.57 118.21 1slj h LYS 71 Ca 0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.86 1slj h LYS 71 Cb 0.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 1slj h LYS 71 CO -0.05 0.00 -0.99 0.39 -2.00 0.00 0.00 179.45 176.80 1slj n GLU 72 N -3.20 0.12 -1.63 0.07 -0.58 -0.29 -5.00 120.64 110.12 1slj n GLU 72 Ca -0.03 -0.02 -0.52 0.00 -0.42 0.00 0.00 57.16 56.18 1slj n GLU 72 Cb 0.08 -1.52 -0.06 0.00 -0.57 0.00 0.00 31.44 29.37 1slj n GLU 72 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1slj n ILE 73 N -1.67 0.10 -2.83 -3.67 5.41 -0.07 -4.69 119.36 111.94 1slj n ILE 73 Ca 0.03 -0.02 -0.33 0.00 1.00 0.00 0.00 62.75 63.43 1slj n ILE 73 Cb 0.38 -1.10 -0.07 0.00 -0.71 0.00 0.00 39.64 38.14 1slj n ILE 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1slj s ALA 74 N 1.41 3.06 -0.38 -1.39 0.00 -1.26 -4.92 121.76 118.28 1slj s ALA 74 Ca 0.87 0.39 0.23 0.00 0.00 0.00 0.00 51.96 53.44 1slj s ALA 74 Cb -0.91 -3.13 1.05 0.00 0.00 0.00 0.00 23.12 20.12 1slj s ALA 74 CO 0.49 0.14 1.69 -2.13 0.00 0.00 0.00 175.76 175.96 1slj n ARG 75 N -0.59 0.18 0.21 0.00 3.00 -1.26 -0.88 116.66 117.31 1slj n ARG 75 Ca 0.07 0.50 0.15 0.00 -0.00 0.00 0.00 57.85 58.57 1slj n ARG 75 Cb 0.54 -1.90 0.61 0.00 0.00 0.00 0.00 32.46 31.70 1slj n ARG 75 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1slj h GLU 76 N 0.00 0.00 0.00 -0.14 4.57 -1.78 -3.05 114.58 114.18 1slj h GLU 76 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1slj h GLU 76 Cb 0.23 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1slj h GLU 76 CO 0.00 0.00 -0.11 1.88 -1.18 0.00 0.00 179.01 179.60 1slj h TYR 77 N 0.00 0.00 -3.52 0.92 0.05 -1.38 -3.41 116.97 109.64 1slj h TYR 77 Ca 0.00 0.00 -0.72 0.00 0.05 0.00 0.00 58.73 58.06 1slj h TYR 77 Cb 0.44 0.00 -0.22 0.00 1.01 0.00 0.00 36.73 37.96 1slj h TYR 77 CO 0.00 0.74 -0.45 -0.59 -1.05 0.00 0.00 178.16 176.81 1slj s PHE 78 N -2.05 3.24 0.10 4.88 -0.71 -1.23 -4.73 117.98 117.48 1slj s PHE 78 Ca -0.15 -0.65 -0.30 0.00 -1.04 0.00 0.00 56.93 54.80 1slj s PHE 78 Cb -0.01 -2.56 -0.16 0.00 -1.21 0.00 0.00 43.02 39.07 1slj s PHE 78 CO 0.48 -0.59 0.69 -0.35 -1.34 0.00 0.00 175.22 174.11 1slj n PRO 79 N 5.13 0.00 0.00 1.99 -0.04 -1.24 -4.68 135.00 136.16 1slj n PRO 79 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1slj n PRO 79 Cb 0.47 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 1slj n PRO 79 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1slj n ALA 80 N 0.61 0.94 0.62 0.55 0.00 -1.15 0.87 120.51 122.95 1slj n ALA 80 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.74 1slj n ALA 80 Cb 0.16 -0.83 0.34 0.00 0.00 0.00 0.00 19.45 19.12 1slj n ALA 80 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1slj n ASN 81 N -1.27 0.76 -4.61 0.00 2.85 -1.26 -4.69 115.26 107.04 1slj n ASN 81 Ca 0.00 0.43 -0.40 0.00 -0.11 0.00 0.00 54.58 54.50 1slj n ASN 81 Cb 0.06 -0.49 -0.08 0.00 1.24 0.00 0.00 39.78 40.52 1slj n ASN 81 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1slj s TYR 82 N -3.12 3.25 0.10 1.20 5.04 0.25 -5.03 117.35 119.05 1slj s TYR 82 Ca 0.09 0.59 -0.31 0.00 -2.44 0.00 0.00 57.07 55.00 1slj s TYR 82 Cb 0.13 -2.75 -0.09 0.00 0.35 0.00 0.00 41.96 39.59 1slj s TYR 82 CO 0.63 -0.32 1.70 0.45 -1.34 0.00 0.00 175.55 176.68 1slj s SER 83 N 1.58 6.53 -1.29 4.32 0.15 -1.26 -4.88 113.70 118.84 1slj s SER 83 Ca 0.21 2.61 -0.18 0.00 0.70 0.00 0.00 55.95 59.29 1slj s SER 83 Cb -0.16 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.61 1slj s SER 83 CO 0.10 -0.92 1.94 0.00 1.20 0.00 0.00 173.24 175.55 1slj n ALA 84 N 5.36 3.97 -2.52 5.45 0.00 -1.26 -4.93 120.51 126.59 1slj n ALA 84 Ca 0.16 -3.72 -0.43 0.00 0.00 0.00 0.00 53.44 49.45 1slj n ALA 84 Cb 0.39 -3.57 -0.02 0.00 0.00 0.00 0.00 19.45 16.25 1slj n ALA 84 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1slj s HIS 85 N 4.75 2.75 0.00 0.00 -3.43 -1.26 -4.65 115.29 113.45 1slj s HIS 85 Ca 0.54 0.79 0.00 0.00 -0.80 0.00 0.00 55.06 55.59 1slj s HIS 85 Cb 0.08 -4.24 0.00 0.00 -1.43 0.00 0.00 32.58 26.99 1slj s HIS 85 CO 0.04 -1.42 0.00 0.41 -2.00 0.00 0.00 174.74 171.76 1slj n GLY 86 N 4.70 1.31 3.03 -1.38 0.00 -1.26 -4.64 105.19 106.94 1slj n GLY 86 Ca 0.13 0.22 -0.11 0.00 0.00 0.00 0.00 46.02 46.27 1slj n GLY 86 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1slj s ARG 87 N 0.00 0.43 1.00 1.61 1.70 -1.26 -5.16 118.95 117.27 1slj s ARG 87 Ca 0.00 -0.72 -0.11 0.00 -0.47 0.00 0.00 55.73 54.43 1slj s ARG 87 Cb 0.00 -0.06 0.19 0.00 -0.57 0.00 0.00 34.95 34.51 1slj s ARG 87 CO 0.00 -0.01 1.09 -0.35 -1.08 0.00 0.00 175.30 174.95 1slj n PRO 88 N 1.42 -1.05 -4.01 3.89 -0.04 -1.26 -5.03 135.00 128.92 1slj n PRO 88 Ca -0.23 -0.25 -0.31 0.00 -0.04 0.00 0.00 63.50 62.67 1slj n PRO 88 Cb 0.55 -2.30 -0.15 0.00 -0.04 0.00 0.00 33.50 31.56 1slj n PRO 88 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1slj s ASN 89 N -2.55 4.55 0.22 3.54 4.22 -1.26 -4.92 114.94 118.74 1slj s ASN 89 Ca 0.67 -1.83 -0.08 0.00 -2.14 0.00 0.00 52.86 49.48 1slj s ASN 89 Cb -0.24 -1.52 0.26 0.00 1.28 0.00 0.00 41.25 41.04 1slj s ASN 89 CO 0.60 -0.32 1.82 -0.29 -2.04 0.00 0.00 177.10 176.88 1slj h ILE 90 N 6.65 1.00 0.00 0.54 2.10 -1.91 0.17 117.51 126.06 1slj h ILE 90 Ca -0.10 -0.27 0.00 0.00 1.08 0.00 0.00 64.86 65.57 1slj h ILE 90 Cb 1.03 0.15 0.00 0.00 -1.09 0.00 0.00 36.82 36.91 1slj h ILE 90 CO 0.49 0.14 0.00 0.07 -1.08 0.00 0.00 178.15 177.77 1slj h LYS 91 N 0.78 0.00 0.00 2.19 2.10 -1.93 0.73 116.57 120.45 1slj h LYS 91 Ca 0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 1slj h LYS 91 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1slj h LYS 91 CO -0.17 0.00 -0.07 -0.25 -2.00 0.00 0.00 179.45 176.96 1slj n ASP 92 N -2.30 1.98 0.01 7.07 8.00 -0.01 -4.73 116.55 126.57 1slj n ASP 92 Ca -0.01 -2.84 0.00 0.00 0.71 0.00 0.00 54.79 52.66 1slj n ASP 92 Cb 0.09 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 1slj n ASP 92 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1slj n VAL 93 N -1.16 0.23 -3.60 2.53 0.31 0.01 -4.93 118.33 111.72 1slj n VAL 93 Ca 0.13 0.08 -0.20 0.00 -0.01 0.00 0.00 64.34 64.34 1slj n VAL 93 Cb 0.62 -1.50 -0.01 0.00 -0.91 0.00 0.00 33.84 32.03 1slj n VAL 93 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1slj s LEU 94 N -6.18 3.93 0.01 7.52 1.43 0.04 -4.31 118.68 121.13 1slj s LEU 94 Ca 0.00 -0.23 -0.18 0.00 -1.03 0.00 0.00 54.13 52.70 1slj s LEU 94 Cb 0.00 -2.65 0.03 0.00 0.03 0.00 0.00 46.19 43.60 1slj s LEU 94 CO 0.00 -0.37 0.39 0.00 0.23 0.00 0.00 176.35 176.59 1slj s ARG 95 N -4.11 0.83 -0.06 1.70 3.03 -1.26 -4.72 118.95 114.36 1slj s ARG 95 Ca 0.43 -0.26 -0.30 0.00 2.03 0.00 0.00 55.73 57.63 1slj s ARG 95 Cb -0.09 0.37 -0.07 0.00 -1.03 0.00 0.00 34.95 34.14 1slj s ARG 95 CO 0.30 -0.26 1.86 -1.21 -1.13 0.00 0.00 175.30 174.86 1slj s GLU 96 N -1.97 3.98 0.00 3.89 2.02 -1.26 -1.04 118.70 124.33 1slj s GLU 96 Ca -0.09 2.29 0.00 0.00 0.02 0.00 0.00 54.97 57.19 1slj s GLU 96 Cb -0.02 -4.12 0.00 0.00 0.10 0.00 0.00 34.13 30.09 1slj s GLU 96 CO 0.01 -1.11 0.00 0.41 0.02 0.00 0.00 175.26 174.59 1slj n GLY 97 N 4.59 1.28 3.78 -1.39 0.00 -0.28 -4.93 105.19 108.24 1slj n GLY 97 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1slj n GLY 97 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1slj s GLN 98 N -0.35 4.40 0.43 1.61 0.74 -0.20 -4.81 119.66 121.48 1slj s GLN 98 Ca 0.00 0.93 -0.08 0.00 0.05 0.00 0.00 55.36 56.26 1slj s GLN 98 Cb 0.00 -3.29 -0.05 0.00 1.10 0.00 0.00 33.01 30.77 1slj s GLN 98 CO 0.00 0.49 0.77 -1.83 -0.55 0.00 0.00 175.29 174.17 1slj s GLU 99 N -0.72 3.66 0.05 1.67 -1.05 -1.26 -1.08 118.70 119.96 1slj s GLU 99 Ca 0.33 0.33 -0.05 0.00 -0.15 0.00 0.00 54.97 55.43 1slj s GLU 99 Cb -0.21 -2.40 -0.02 0.00 -0.44 0.00 0.00 34.13 31.07 1slj s GLU 99 CO 0.22 -0.10 0.08 0.14 0.95 0.00 0.00 175.26 176.55 1slj s VAL 100 N -2.53 0.15 -0.36 1.83 -7.23 0.20 -4.94 120.40 107.52 1slj s VAL 100 Ca 0.49 -1.24 -0.10 0.00 -1.81 0.00 0.00 61.98 59.32 1slj s VAL 100 Cb -0.10 -1.06 0.02 0.00 0.56 0.00 0.00 36.38 35.80 1slj s VAL 100 CO 0.38 -0.68 0.19 -0.63 -0.31 0.00 0.00 175.10 174.04 1slj s ILE 101 N -3.02 4.50 -0.07 -0.62 -1.09 -1.26 -2.58 121.20 117.06 1slj s ILE 101 Ca -0.01 -0.84 -0.05 0.00 -2.23 0.00 0.00 60.65 57.52 1slj s ILE 101 Cb 0.01 -3.49 0.03 0.00 -1.58 0.00 0.00 42.46 37.43 1slj s ILE 101 CO -0.07 -0.19 0.18 0.68 -1.23 0.00 0.00 174.94 174.31 1slj s VAL 102 N 1.55 -0.02 0.10 2.92 -7.23 0.31 -4.84 120.40 113.18 1slj s VAL 102 Ca 0.02 0.06 0.08 0.00 -1.81 0.00 0.00 61.98 60.33 1slj s VAL 102 Cb -0.19 -0.27 -0.04 0.00 0.56 0.00 0.00 36.38 36.44 1slj s VAL 102 CO 0.06 0.03 -0.14 0.00 -0.31 0.00 0.00 175.10 174.74 1slj s GLN 103 N 0.50 2.00 -0.62 4.82 -2.07 -1.26 0.73 119.66 123.76 1slj s GLN 103 Ca -0.03 -1.07 -0.27 0.00 -1.82 0.00 0.00 55.36 52.16 1slj s GLN 103 Cb -0.05 -2.22 0.00 0.00 -1.09 0.00 0.00 33.01 29.65 1slj s GLN 103 CO -0.02 0.50 1.55 0.42 -1.32 0.00 0.00 175.29 176.42 1slj s ILE 104 N -1.15 3.60 0.01 3.63 -1.09 -1.26 -2.08 121.20 122.87 1slj s ILE 104 Ca 0.19 0.42 -0.04 0.00 -2.23 0.00 0.00 60.65 58.99 1slj s ILE 104 Cb -0.11 -4.37 -0.28 0.00 -1.58 0.00 0.00 42.46 36.12 1slj s ILE 104 CO 0.11 -1.24 0.90 -0.78 -1.23 0.00 0.00 174.94 172.69 1slj h ASP 105 N 12.25 0.43 -3.38 3.58 3.58 -1.66 -3.43 116.42 127.79 1slj h ASP 105 Ca -0.27 -0.56 -0.66 0.00 0.42 0.00 0.00 57.03 55.96 1slj h ASP 105 Cb 1.11 -0.14 -0.27 0.00 1.72 0.00 0.00 39.33 41.75 1slj h ASP 105 CO 1.22 1.46 -0.72 -0.54 -2.88 0.00 0.00 179.24 177.78 1slj s LYS 106 N -2.62 3.40 0.46 0.28 3.01 -1.19 -5.04 119.74 118.04 1slj s LYS 106 Ca -0.09 -0.62 -0.22 0.00 -1.01 0.00 0.00 55.97 54.03 1slj s LYS 106 Cb 0.07 -2.96 -0.08 0.00 -1.01 0.00 0.00 37.83 33.85 1slj s LYS 106 CO 0.86 -0.12 1.11 -1.21 0.51 0.00 0.00 175.35 176.50 1slj s GLU 107 N 1.27 3.79 -0.84 1.68 2.02 -1.26 -1.33 118.70 124.03 1slj s GLU 107 Ca 0.03 1.61 -0.25 0.00 0.02 0.00 0.00 54.97 56.38 1slj s GLU 107 Cb -0.14 -2.31 -0.07 0.00 0.10 0.00 0.00 34.13 31.70 1slj s GLU 107 CO -0.02 -0.49 2.08 -2.00 0.02 0.00 0.00 175.26 174.86 1slj s GLU 108 N -2.85 2.28 0.03 1.61 2.12 -1.18 -4.25 118.70 116.46 1slj s GLU 108 Ca 0.64 0.02 -0.03 0.00 0.36 0.00 0.00 54.97 55.97 1slj s GLU 108 Cb -0.24 -4.93 -0.01 0.00 0.26 0.00 0.00 34.13 29.21 1slj s GLU 108 CO 0.29 -3.64 -0.06 0.54 -0.54 0.00 0.00 175.26 171.85 1slj n ARG 109 N 8.87 0.10 0.00 4.30 1.74 -1.26 -4.86 116.66 125.55 1slj n ARG 109 Ca 0.41 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 1slj n ARG 109 Cb 0.46 -0.59 0.00 0.00 -1.02 0.00 0.00 32.46 31.31 1slj n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1slj n GLY 110 N 3.04 0.51 0.08 -0.13 0.00 -1.26 -4.91 105.19 102.52 1slj n GLY 110 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1slj n GLY 110 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1slj h ASN 111 N 0.16 -0.08 0.00 1.61 -0.73 -1.97 -3.40 115.58 111.17 1slj h ASN 111 Ca 0.00 -0.14 0.00 0.00 1.87 0.00 0.00 56.30 58.03 1slj h ASN 111 Cb 0.00 0.02 0.00 0.00 0.27 0.00 0.00 38.32 38.61 1slj h ASN 111 CO 0.00 0.09 -0.77 0.29 -0.37 0.00 0.00 177.43 176.66 1slj n LYS 112 N -5.06 0.76 0.00 6.67 4.76 -1.26 -5.15 118.16 118.88 1slj n LYS 112 Ca -0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 1slj n LYS 112 Cb 0.13 -0.89 0.00 0.00 -1.84 0.00 0.00 35.03 32.43 1slj n LYS 112 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1slj n GLY 113 N 2.89 0.02 3.56 0.72 0.00 -1.26 -4.85 105.19 106.27 1slj n GLY 113 Ca 0.00 -2.05 -0.40 0.00 0.00 0.00 0.00 46.02 43.57 1slj n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1slj s ALA 114 N -2.00 2.62 -0.11 4.61 0.00 -1.26 -3.07 121.76 122.55 1slj s ALA 114 Ca 0.00 -2.08 -0.14 0.00 0.00 0.00 0.00 51.96 49.74 1slj s ALA 114 Cb 0.00 -4.50 -0.05 0.00 0.00 0.00 0.00 23.12 18.57 1slj s ALA 114 CO 0.00 -3.68 0.34 0.00 0.00 0.00 0.00 175.76 172.41 1slj s ALA 115 N 5.54 3.62 0.37 0.00 0.00 -0.44 0.60 121.76 131.46 1slj s ALA 115 Ca 0.47 -0.37 -0.05 0.00 0.00 0.00 0.00 51.96 52.01 1slj s ALA 115 Cb -0.02 -2.40 -0.05 0.00 0.00 0.00 0.00 23.12 20.66 1slj s ALA 115 CO -0.06 0.21 0.65 -0.51 0.00 0.00 0.00 175.76 176.06 1slj s LEU 116 N -0.00 3.89 0.41 0.00 1.43 -0.57 -1.88 118.68 121.97 1slj s LEU 116 Ca 0.20 0.80 0.07 0.00 -1.03 0.00 0.00 54.13 54.16 1slj s LEU 116 Cb -0.14 -3.67 -0.06 0.00 0.03 0.00 0.00 46.19 42.34 1slj s LEU 116 CO 0.07 -0.35 0.10 0.28 0.23 0.00 0.00 176.35 176.68 1slj s THR 117 N -2.35 2.16 -0.12 5.49 -1.32 -0.88 -4.68 115.64 113.93 1slj s THR 117 Ca 0.45 -1.84 0.15 0.00 -1.21 0.00 0.00 61.69 59.24 1slj s THR 117 Cb -0.10 -2.99 0.33 0.00 -1.51 0.00 0.00 72.50 68.22 1slj s THR 117 CO 0.35 0.00 1.16 0.35 -2.21 0.00 0.00 174.62 174.27 1slj n THR 118 N -1.12 1.41 -0.78 5.08 -2.24 -1.26 -4.46 114.28 110.91 1slj n THR 118 Ca -0.03 -2.10 -0.08 0.00 -2.27 0.00 0.00 64.05 59.57 1slj n THR 118 Cb 0.66 0.09 -0.11 0.00 -2.10 0.00 0.00 70.33 68.86 1slj n THR 118 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1slj n PHE 119 N -0.77 0.00 -4.36 4.78 7.35 -1.26 -4.79 117.46 118.42 1slj n PHE 119 Ca 0.13 -1.24 -0.19 0.00 -0.76 0.00 0.00 57.45 55.39 1slj n PHE 119 Cb 0.76 -1.20 -0.10 0.00 0.35 0.00 0.00 39.48 39.29 1slj n PHE 119 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1slj s ILE 120 N 0.87 1.43 -0.44 -2.13 1.09 -1.26 -5.03 121.20 115.73 1slj s ILE 120 Ca 0.44 -2.11 -0.05 0.00 -1.10 0.00 0.00 60.65 57.82 1slj s ILE 120 Cb 0.21 -2.27 -0.14 0.00 -1.06 0.00 0.00 42.46 39.20 1slj s ILE 120 CO 0.00 -0.42 2.59 -1.20 -0.10 0.00 0.00 174.94 175.81 1slj n SER 121 N -0.45 4.67 -4.13 3.58 7.64 -1.26 -4.77 113.62 118.90 1slj n SER 121 Ca -0.06 -2.27 -0.34 0.00 1.01 0.00 0.00 58.87 57.21 1slj n SER 121 Cb 0.63 -1.10 -0.14 0.00 -1.01 0.00 0.00 64.21 62.59 1slj n SER 121 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1slj s LEU 122 N 0.05 3.78 0.00 -3.43 1.43 -1.26 -5.05 118.68 114.19 1slj s LEU 122 Ca 0.48 -1.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.22 1slj s LEU 122 Cb 0.19 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.76 1slj s LEU 122 CO -0.02 -0.24 0.00 0.00 0.23 0.00 0.00 176.35 176.32 1slj n ALA 123 N 4.54 0.00 -3.40 4.21 0.00 -1.26 -4.20 120.51 120.39 1slj n ALA 123 Ca -0.13 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.21 1slj n ALA 123 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 1slj n ALA 123 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1slj s GLY 124 N 0.00 -0.33 0.00 0.00 0.00 -1.26 -4.44 107.32 101.28 1slj s GLY 124 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.80 1slj s GLY 124 CO 0.00 -0.07 0.00 -1.14 0.00 0.00 0.00 173.10 171.89