#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 0.00 0.00 1.61 2.88 -1.26 -4.98 113.62 111.87 1slj n SER 31 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1slj n SER 31 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1slj n SER 31 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1slj n HIS 32 N -0.28 0.00 -4.21 0.66 -0.00 -1.26 -4.89 115.22 105.24 1slj n HIS 32 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.56 1slj n HIS 32 Cb 0.00 -1.60 -0.08 0.00 -0.00 0.00 0.00 29.99 28.32 1slj n HIS 32 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1slj s MET 33 N -1.38 1.64 -0.74 -0.41 1.00 -1.26 -4.84 119.30 113.32 1slj s MET 33 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 55.69 53.85 1slj s MET 33 Cb 0.00 0.34 0.00 0.00 0.00 0.00 0.00 34.83 35.17 1slj s MET 33 CO 0.00 -0.61 0.00 1.28 0.00 0.00 0.00 175.02 175.69 1slj n LEU 34 N -0.51 0.09 -4.13 -0.03 7.99 -1.26 -2.78 117.00 116.37 1slj n LEU 34 Ca 0.04 0.17 -0.34 0.00 -0.01 0.00 0.00 56.01 55.87 1slj n LEU 34 Cb 0.63 -2.48 -0.06 0.00 -0.11 0.00 0.00 43.42 41.40 1slj n LEU 34 CO 0.31 -0.96 -0.12 -1.84 -1.51 0.00 0.00 177.39 173.27 1slj n GLU 35 N -0.22 -1.29 -0.00 3.23 0.28 -1.26 -4.86 120.64 116.51 1slj n GLU 35 Ca -0.07 0.13 -0.00 0.00 -0.16 0.00 0.00 57.16 57.06 1slj n GLU 35 Cb 0.53 -4.70 -0.00 0.00 1.43 0.00 0.00 31.44 28.69 1slj n GLU 35 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 1slj h GLN 36 N -0.73 -0.02 -0.95 3.44 1.08 -1.92 -3.35 115.11 112.66 1slj h GLN 36 Ca -0.48 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 56.13 1slj h GLN 36 Cb 1.31 0.01 -0.29 0.00 -0.05 0.00 0.00 27.48 28.46 1slj h GLN 36 CO 0.72 -0.02 0.65 1.17 -0.95 0.00 0.00 178.83 180.40 1slj n LYS 37 N -2.87 2.56 -4.54 1.46 4.81 -1.26 -4.94 118.16 113.39 1slj n LYS 37 Ca -0.00 -3.25 -0.22 0.00 -0.87 0.00 0.00 58.31 53.97 1slj n LYS 37 Cb 0.01 -2.23 -0.15 0.00 0.02 0.00 0.00 35.03 32.68 1slj n LYS 37 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1slj s LYS 38 N -3.62 1.10 0.31 1.64 2.20 -1.26 -4.83 119.74 115.29 1slj s LYS 38 Ca 0.60 -0.42 -0.29 0.00 -0.36 0.00 0.00 55.97 55.50 1slj s LYS 38 Cb 0.49 -1.03 -0.10 0.00 -1.51 0.00 0.00 37.83 35.67 1slj s LYS 38 CO 0.03 0.21 1.38 0.00 -0.36 0.00 0.00 175.35 176.61 1slj s ALA 39 N -0.08 3.55 -0.32 3.13 0.00 -1.26 -4.69 121.76 122.09 1slj s ALA 39 Ca 0.01 1.33 -0.40 0.00 0.00 0.00 0.00 51.96 52.90 1slj s ALA 39 Cb -0.07 -3.52 -0.15 0.00 0.00 0.00 0.00 23.12 19.37 1slj s ALA 39 CO 0.00 -0.74 1.87 0.09 0.00 0.00 0.00 175.76 176.99 1slj n ASN 40 N 1.24 2.15 -4.78 0.00 4.13 -1.26 -4.78 115.26 111.96 1slj n ASN 40 Ca 0.02 0.90 -0.39 0.00 1.68 0.00 0.00 54.58 56.79 1slj n ASN 40 Cb 0.41 -1.13 -0.06 0.00 -1.54 0.00 0.00 39.78 37.45 1slj n ASN 40 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1slj s ILE 41 N 4.58 4.41 0.11 2.41 1.10 -1.26 -4.18 121.20 128.38 1slj s ILE 41 Ca 1.03 1.65 0.09 0.00 -0.51 0.00 0.00 60.65 62.92 1slj s ILE 41 Cb -1.08 -4.11 -0.04 0.00 0.15 0.00 0.00 42.46 37.38 1slj s ILE 41 CO 0.63 0.52 -0.24 -0.31 -2.11 0.00 0.00 174.94 173.44 1slj s TYR 42 N -1.12 2.04 -0.50 3.50 2.02 0.18 -4.96 117.35 118.51 1slj s TYR 42 Ca 0.35 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.65 1slj s TYR 42 Cb -0.23 -1.11 0.13 0.00 -0.40 0.00 0.00 41.96 40.35 1slj s TYR 42 CO 0.25 0.26 0.28 0.21 -1.57 0.00 0.00 175.55 174.98 1slj s LYS 43 N -1.94 2.11 0.37 -0.62 2.20 -1.25 -1.15 119.74 119.46 1slj s LYS 43 Ca 0.10 -2.29 0.09 0.00 -0.36 0.00 0.00 55.97 53.51 1slj s LYS 43 Cb -0.10 -3.51 -0.07 0.00 -1.51 0.00 0.00 37.83 32.65 1slj s LYS 43 CO 0.05 -1.10 -0.04 0.20 -0.36 0.00 0.00 175.35 174.11 1slj s GLY 44 N 0.73 2.28 0.22 5.54 0.00 -1.07 -4.82 107.32 110.19 1slj s GLY 44 Ca 0.14 -2.14 0.06 0.00 0.00 0.00 0.00 44.72 42.78 1slj s GLY 44 CO -0.03 -2.03 0.20 0.54 0.00 0.00 0.00 173.10 171.78 1slj s LYS 45 N -3.67 3.00 0.22 2.90 3.01 -1.26 -0.31 119.74 123.64 1slj s LYS 45 Ca 0.34 -0.94 -0.30 0.00 -1.01 0.00 0.00 55.97 54.06 1slj s LYS 45 Cb 0.04 -2.65 -0.09 0.00 -1.01 0.00 0.00 37.83 34.13 1slj s LYS 45 CO 0.18 0.44 1.15 0.42 0.51 0.00 0.00 175.35 178.04 1slj s ILE 46 N -1.98 3.55 0.00 2.17 1.09 -0.27 -1.92 121.20 123.84 1slj s ILE 46 Ca 0.32 1.41 0.00 0.00 -1.10 0.00 0.00 60.65 61.28 1slj s ILE 46 Cb -0.09 -3.90 0.00 0.00 -1.06 0.00 0.00 42.46 37.42 1slj s ILE 46 CO 0.25 0.27 0.00 0.35 -0.10 0.00 0.00 174.94 175.71 1slj n THR 47 N 1.93 0.00 -3.64 2.92 -2.24 0.27 -1.28 114.28 112.24 1slj n THR 47 Ca 0.02 -0.34 -0.02 0.00 -2.27 0.00 0.00 64.05 61.43 1slj n THR 47 Cb 0.45 0.92 -0.05 0.00 -2.10 0.00 0.00 70.33 69.55 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 -0.88 0.60 -0.15 -0.78 3.52 -1.18 -4.97 118.95 115.11 1slj s ARG 48 Ca 0.00 1.39 -0.02 0.00 -0.13 0.00 0.00 55.73 56.97 1slj s ARG 48 Cb 0.00 0.71 0.05 0.00 -1.56 0.00 0.00 34.95 34.15 1slj s ARG 48 CO 0.00 -0.19 0.02 0.42 -0.81 0.00 0.00 175.30 174.75 1slj s ILE 49 N 2.61 0.47 -0.17 4.11 1.01 -1.26 0.40 121.20 128.38 1slj s ILE 49 Ca -0.07 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.26 1slj s ILE 49 Cb -0.10 -0.86 0.01 0.00 0.01 0.00 0.00 42.46 41.51 1slj s ILE 49 CO -0.19 -0.05 -0.17 -1.61 0.00 0.00 0.00 174.94 172.92 1slj s GLU 50 N 1.90 3.11 0.55 2.79 2.02 -1.15 -4.95 118.70 122.95 1slj s GLU 50 Ca 0.01 -0.79 0.23 0.00 0.02 0.00 0.00 54.97 54.44 1slj s GLU 50 Cb -0.15 -2.61 1.52 0.00 0.10 0.00 0.00 34.13 32.99 1slj s GLU 50 CO -0.07 -0.11 2.18 -1.35 0.02 0.00 0.00 175.26 175.93 1slj h PRO 51 N 7.66 0.00 0.00 0.39 0.11 -1.97 -0.42 132.00 137.77 1slj h PRO 51 Ca -0.39 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 1slj h PRO 51 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1slj h PRO 51 CO 0.60 0.02 -0.11 0.77 -0.21 0.00 0.00 178.00 179.07 1slj h SER 52 N 0.00 0.00 -0.05 -2.05 0.02 -1.97 -3.21 113.55 106.29 1slj h SER 52 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1slj h SER 52 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1slj h SER 52 CO 0.00 0.11 0.00 0.00 -1.14 0.00 0.00 176.83 175.80 1slj n LEU 53 N -3.17 2.05 -4.20 5.07 -0.00 -0.59 -5.02 117.00 111.13 1slj n LEU 53 Ca 0.02 -1.88 -0.30 0.00 -0.00 0.00 0.00 56.01 53.84 1slj n LEU 53 Cb 0.46 -0.04 -0.06 0.00 -0.00 0.00 0.00 43.42 43.78 1slj n LEU 53 CO 0.32 0.51 -0.33 -1.84 -0.00 0.00 0.00 177.39 176.06 1slj n GLU 54 N -0.27 -1.95 -3.78 1.47 0.28 -0.27 -4.87 120.64 111.26 1slj n GLU 54 Ca 0.02 0.23 -0.04 0.00 -0.16 0.00 0.00 57.16 57.21 1slj n GLU 54 Cb 0.25 -4.14 -0.01 0.00 1.43 0.00 0.00 31.44 28.98 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 -4.05 -1.60 -0.01 -1.84 0.00 -1.24 -1.23 121.76 111.79 1slj s ALA 55 Ca 0.13 0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.13 1slj s ALA 55 Cb -0.07 0.66 -0.00 0.00 0.00 0.00 0.00 23.12 23.71 1slj s ALA 55 CO 0.96 -1.05 -0.06 0.00 0.00 0.00 0.00 175.76 175.61 1slj s ALA 56 N -3.17 0.48 -0.03 0.00 0.00 -0.32 -2.96 121.76 115.77 1slj s ALA 56 Ca 0.13 -0.23 -0.17 0.00 0.00 0.00 0.00 51.96 51.69 1slj s ALA 56 Cb -0.02 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 1slj s ALA 56 CO 0.03 0.11 0.48 -0.06 0.00 0.00 0.00 175.76 176.32 1slj s PHE 57 N -0.08 3.66 -0.07 0.00 0.40 0.16 -0.36 117.98 121.70 1slj s PHE 57 Ca 0.02 1.03 0.05 0.00 -0.60 0.00 0.00 56.93 57.42 1slj s PHE 57 Cb -0.03 -2.45 -0.01 0.00 0.51 0.00 0.00 43.02 41.04 1slj s PHE 57 CO -0.00 0.44 -0.23 0.08 0.70 0.00 0.00 175.22 176.21 1slj s VAL 58 N -0.40 2.24 -0.33 -0.44 1.01 0.62 -0.57 120.40 122.53 1slj s VAL 58 Ca 0.26 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 1slj s VAL 58 Cb -0.17 -1.84 0.03 0.00 0.00 0.00 0.00 36.38 34.41 1slj s VAL 58 CO 0.14 0.57 0.09 -0.62 0.00 0.00 0.00 175.10 175.28 1slj s ASP 59 N -0.09 5.24 -0.54 3.32 2.15 -0.81 -0.13 116.67 125.81 1slj s ASP 59 Ca -0.05 -1.03 0.07 0.00 0.43 0.00 0.00 52.55 51.97 1slj s ASP 59 Cb -0.14 -1.86 0.28 0.00 -0.30 0.00 0.00 42.92 40.89 1slj s ASP 59 CO 0.04 -0.29 0.74 0.00 -0.17 0.00 0.00 175.17 175.49 1slj n TYR 60 N 4.82 2.44 -2.95 -5.34 4.11 -1.26 -4.15 117.16 114.83 1slj n TYR 60 Ca -0.13 -3.95 -0.20 0.00 -0.00 0.00 0.00 57.90 53.62 1slj n TYR 60 Cb 0.45 -0.48 0.00 0.00 -0.00 0.00 0.00 39.34 39.32 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 0.68 -0.50 3.88 -7.48 0.00 -1.26 -4.96 105.19 95.55 1slj n GLY 61 Ca 0.28 0.07 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.91 3.71 -0.09 4.61 0.00 -1.26 -5.02 121.76 120.80 1slj s ALA 62 Ca 0.23 -0.41 -0.25 0.00 0.00 0.00 0.00 51.96 51.53 1slj s ALA 62 Cb -0.12 -2.27 -0.21 0.00 0.00 0.00 0.00 23.12 20.53 1slj s ALA 62 CO 0.29 0.59 0.88 0.93 0.00 0.00 0.00 175.76 178.45 1slj h GLU 63 N 3.17 -0.03 0.00 0.00 4.39 -1.97 -3.32 114.58 116.82 1slj h GLU 63 Ca -0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1slj h GLU 63 Cb 1.18 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1slj h GLU 63 CO 0.69 0.67 -0.80 0.54 -1.16 0.00 0.00 179.01 178.95 1slj n ARG 64 N -4.74 0.07 -0.30 2.33 5.12 -1.26 -5.07 116.66 112.82 1slj n ARG 64 Ca -0.09 -0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.83 1slj n ARG 64 Cb 0.35 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 1slj n ARG 64 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1slj n HIS 65 N -1.61 -0.81 -2.14 -1.55 8.25 -1.25 -4.79 115.22 111.32 1slj n HIS 65 Ca 0.04 0.44 -0.40 0.00 -0.26 0.00 0.00 57.72 57.54 1slj n HIS 65 Cb 0.36 -1.27 -0.03 0.00 1.12 0.00 0.00 29.99 30.17 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 -2.86 0.45 -0.56 -1.41 0.00 0.82 -4.39 107.32 99.37 1slj s GLY 66 Ca 0.00 -0.60 -0.22 0.00 0.00 0.00 0.00 44.72 43.89 1slj s GLY 66 CO 0.00 3.23 0.86 -0.12 0.00 0.00 0.00 173.10 177.07 1slj s PHE 67 N 7.99 2.84 -0.38 1.90 5.36 0.48 -0.28 117.98 135.89 1slj s PHE 67 Ca 0.63 -0.30 -0.18 0.00 -0.96 0.00 0.00 56.93 56.12 1slj s PHE 67 Cb -0.13 -3.98 0.00 0.00 -0.34 0.00 0.00 43.02 38.57 1slj s PHE 67 CO 0.23 -1.33 0.53 -1.17 -1.46 0.00 0.00 175.22 172.01 1slj s LEU 68 N 3.60 4.44 0.39 6.12 0.20 0.52 -2.33 118.68 131.62 1slj s LEU 68 Ca 0.24 -0.17 -0.27 0.00 0.69 0.00 0.00 54.13 54.62 1slj s LEU 68 Cb -0.16 -2.59 -0.09 0.00 -0.43 0.00 0.00 46.19 42.93 1slj s LEU 68 CO 0.15 -0.55 1.33 -2.84 -0.29 0.00 0.00 176.35 174.15 1slj s PRO 69 N 2.44 4.07 0.43 0.98 0.02 -1.26 -1.17 135.00 140.51 1slj s PRO 69 Ca 0.19 2.22 0.12 0.00 0.02 0.00 0.00 61.00 63.55 1slj s PRO 69 Cb -0.15 -2.85 0.99 0.00 0.02 0.00 0.00 34.50 32.51 1slj s PRO 69 CO 0.14 -0.43 2.02 1.25 -0.33 0.00 0.00 177.00 179.65 1slj h LEU 70 N 2.87 0.37 -0.23 -5.54 5.85 -1.51 -1.03 115.31 116.10 1slj h LEU 70 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1slj h LEU 70 Cb 1.24 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1slj h LEU 70 CO 0.63 0.24 0.00 2.29 -0.34 0.00 0.00 178.44 181.27 1slj n LYS 71 N -4.47 0.03 -0.02 1.25 2.85 -1.26 -1.10 118.16 115.43 1slj n LYS 71 Ca 0.06 0.44 0.03 0.00 -1.05 0.00 0.00 58.31 57.79 1slj n LYS 71 Cb 0.24 -1.58 -0.14 0.00 -0.65 0.00 0.00 35.03 32.90 1slj n LYS 71 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1slj n GLU 72 N -1.65 0.66 -1.59 -1.58 -0.58 -0.39 -5.02 120.64 110.49 1slj n GLU 72 Ca 0.01 -0.04 -0.51 0.00 -0.42 0.00 0.00 57.16 56.19 1slj n GLU 72 Cb 0.07 -1.60 -0.05 0.00 -0.57 0.00 0.00 31.44 29.29 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 -2.55 0.21 -3.96 -3.67 5.41 -0.26 -4.69 119.36 109.86 1slj n ILE 73 Ca -0.13 -0.05 -0.24 0.00 1.00 0.00 0.00 62.75 63.32 1slj n ILE 73 Cb 0.79 -0.84 -0.03 0.00 -0.71 0.00 0.00 39.64 38.85 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 0.33 3.94 -0.63 -1.39 0.00 -1.26 -4.89 121.76 117.87 1slj s ALA 74 Ca 0.82 -1.11 0.16 0.00 0.00 0.00 0.00 51.96 51.83 1slj s ALA 74 Cb -0.93 -1.75 0.75 0.00 0.00 0.00 0.00 23.12 21.20 1slj s ALA 74 CO 0.48 0.44 1.49 -2.13 0.00 0.00 0.00 175.76 176.04 1slj n ARG 75 N -0.84 0.10 0.26 0.00 0.63 -1.26 -1.06 116.66 114.50 1slj n ARG 75 Ca -0.08 0.46 0.12 0.00 -0.92 0.00 0.00 57.85 57.43 1slj n ARG 75 Cb 0.55 -1.74 0.73 0.00 0.45 0.00 0.00 32.46 32.45 1slj n ARG 75 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1slj h GLU 76 N 0.00 0.00 0.04 -0.14 4.81 -1.82 -2.85 114.58 114.62 1slj h GLU 76 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1slj h GLU 76 Cb 0.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1slj h GLU 76 CO 0.00 0.11 -0.02 1.88 -0.73 0.00 0.00 179.01 180.25 1slj h TYR 77 N 0.00 -0.05 -3.48 0.92 0.05 -1.45 -3.39 116.97 109.57 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 0.27 0.02 -0.21 0.00 1.01 0.00 0.00 36.73 37.81 1slj h TYR 77 CO 0.00 0.63 -0.43 -0.59 -1.05 0.00 0.00 178.16 176.72 1slj s PHE 78 N -2.95 3.24 0.06 4.88 -0.71 -1.22 -4.68 117.98 116.61 1slj s PHE 78 Ca -0.15 -0.66 -0.29 0.00 -1.04 0.00 0.00 56.93 54.78 1slj s PHE 78 Cb -0.01 -2.64 -0.16 0.00 -1.21 0.00 0.00 43.02 39.00 1slj s PHE 78 CO 0.59 -0.62 0.72 -0.35 -1.34 0.00 0.00 175.22 174.22 1slj n PRO 79 N 5.15 0.00 0.22 1.99 -0.04 -1.24 -4.69 135.00 136.39 1slj n PRO 79 Ca -0.11 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.47 1slj n PRO 79 Cb 0.47 -1.08 0.67 0.00 -0.04 0.00 0.00 33.50 33.51 1slj n PRO 79 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1slj h ALA 80 N 1.87 1.10 -0.02 0.55 0.00 -1.80 0.57 119.26 121.54 1slj h ALA 80 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1slj h ALA 80 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1slj h ALA 80 CO 0.51 -0.10 -0.05 0.09 0.00 0.00 0.00 179.25 179.71 1slj n ASN 81 N -2.44 1.55 -4.79 0.00 3.02 -1.26 -4.89 115.26 106.45 1slj n ASN 81 Ca -0.02 -1.44 -0.37 0.00 -0.03 0.00 0.00 54.58 52.72 1slj n ASN 81 Cb 0.16 0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.30 1slj n ASN 81 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1slj s TYR 82 N -2.09 3.72 -0.60 3.10 5.04 0.20 -4.98 117.35 121.73 1slj s TYR 82 Ca 0.35 1.68 -0.27 0.00 -2.44 0.00 0.00 57.07 56.39 1slj s TYR 82 Cb 0.21 -2.84 -0.01 0.00 0.35 0.00 0.00 41.96 39.67 1slj s TYR 82 CO 0.37 0.28 1.77 -1.12 -1.34 0.00 0.00 175.55 175.51 1slj s SER 83 N -1.56 5.45 -0.75 4.32 0.01 -1.26 -4.91 113.70 114.99 1slj s SER 83 Ca 0.47 0.31 -0.26 0.00 1.31 0.00 0.00 55.95 57.78 1slj s SER 83 Cb -0.19 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.48 1slj s SER 83 CO 0.24 -2.25 1.89 0.00 0.41 0.00 0.00 173.24 173.53 1slj s ALA 84 N 8.44 1.95 -1.35 1.44 0.00 -1.26 -4.86 121.76 126.12 1slj s ALA 84 Ca 0.64 -1.07 -0.10 0.00 0.00 0.00 0.00 51.96 51.43 1slj s ALA 84 Cb -0.13 -4.42 -0.07 0.00 0.00 0.00 0.00 23.12 18.51 1slj s ALA 84 CO 0.21 -4.31 2.57 -2.39 0.00 0.00 0.00 175.76 171.84 1slj n HIS 85 N 13.25 2.21 0.00 0.00 1.44 -1.26 -4.85 115.22 126.01 1slj n HIS 85 Ca 0.29 -2.68 0.00 0.00 -2.01 0.00 0.00 57.72 53.32 1slj n HIS 85 Cb 0.50 -2.22 0.00 0.00 0.12 0.00 0.00 29.99 28.39 1slj n HIS 85 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1slj n GLY 86 N 3.75 0.73 3.74 -1.39 0.00 -1.26 -4.85 105.19 105.91 1slj n GLY 86 Ca 0.64 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 1slj n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1slj s ARG 87 N 0.00 4.59 0.77 1.61 0.52 -1.26 -5.03 118.95 120.15 1slj s ARG 87 Ca 0.00 1.23 -0.15 0.00 -0.52 0.00 0.00 55.73 56.29 1slj s ARG 87 Cb 0.00 -3.35 0.05 0.00 0.52 0.00 0.00 34.95 32.17 1slj s ARG 87 CO 0.00 0.30 1.10 -0.35 0.02 0.00 0.00 175.30 176.37 1slj n PRO 88 N 2.61 0.34 -4.06 3.54 -0.04 -1.26 -5.03 135.00 131.11 1slj n PRO 88 Ca -0.01 0.18 -0.32 0.00 -0.04 0.00 0.00 63.50 63.31 1slj n PRO 88 Cb 0.50 -2.35 -0.15 0.00 -0.04 0.00 0.00 33.50 31.46 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 -1.90 4.32 0.26 3.54 6.03 -1.26 -4.93 114.94 121.00 1slj s ASN 89 Ca 0.73 -1.28 -0.05 0.00 -1.03 0.00 0.00 52.86 51.24 1slj s ASN 89 Cb -0.31 -1.56 0.30 0.00 -3.03 0.00 0.00 41.25 36.65 1slj s ASN 89 CO 0.50 -0.17 1.86 -0.29 -2.03 0.00 0.00 177.10 176.97 1slj h ILE 90 N 6.62 1.24 0.00 0.54 2.10 -1.92 0.21 117.51 126.30 1slj h ILE 90 Ca -0.23 -0.67 -0.00 0.00 1.08 0.00 0.00 64.86 65.04 1slj h ILE 90 Cb 1.06 0.24 -0.00 0.00 -1.09 0.00 0.00 36.82 37.03 1slj h ILE 90 CO 0.49 0.29 -0.00 0.07 -1.08 0.00 0.00 178.15 177.92 1slj h LYS 91 N 1.10 0.00 -0.01 2.19 2.10 -1.91 -0.84 116.57 119.20 1slj h LYS 91 Ca 0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 1slj h LYS 91 Cb 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1slj h LYS 91 CO -0.04 0.00 0.00 -3.47 -2.00 0.00 0.00 179.45 173.95 1slj n ASP 92 N -3.28 2.11 0.00 7.07 2.03 0.58 -4.72 116.55 120.35 1slj n ASP 92 Ca -0.03 -2.22 -0.00 0.00 0.52 0.00 0.00 54.79 53.06 1slj n ASP 92 Cb 0.07 -0.10 -0.00 0.00 -0.72 0.00 0.00 41.12 40.38 1slj n ASP 92 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1slj n VAL 93 N -0.65 0.07 -3.94 5.18 0.31 -0.22 -4.91 118.33 114.17 1slj n VAL 93 Ca 0.04 0.02 -0.29 0.00 -0.01 0.00 0.00 64.34 64.10 1slj n VAL 93 Cb 0.34 -1.51 -0.04 0.00 -0.91 0.00 0.00 33.84 31.72 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 -6.06 4.31 0.02 7.52 1.43 -0.40 -4.09 118.68 121.42 1slj s LEU 94 Ca -0.00 0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 53.29 1slj s LEU 94 Cb 0.00 -2.90 -0.02 0.00 0.03 0.00 0.00 46.19 43.30 1slj s LEU 94 CO 0.00 0.12 0.01 0.00 0.23 0.00 0.00 176.35 176.71 1slj s ARG 95 N -2.81 0.41 0.08 1.70 3.03 -1.26 -4.76 118.95 115.34 1slj s ARG 95 Ca 0.34 -0.67 -0.31 0.00 2.03 0.00 0.00 55.73 57.12 1slj s ARG 95 Cb -0.12 0.15 -0.08 0.00 -1.03 0.00 0.00 34.95 33.86 1slj s ARG 95 CO 0.28 -0.08 1.62 -1.21 -1.13 0.00 0.00 175.30 174.78 1slj s GLU 96 N -1.89 4.21 0.00 3.89 2.02 -1.26 -1.60 118.70 124.07 1slj s GLU 96 Ca -0.12 2.31 0.00 0.00 0.02 0.00 0.00 54.97 57.18 1slj s GLU 96 Cb -0.06 -3.51 0.00 0.00 0.10 0.00 0.00 34.13 30.66 1slj s GLU 96 CO -0.02 -0.69 0.00 0.41 0.02 0.00 0.00 175.26 174.97 1slj n GLY 97 N 3.92 0.26 3.77 -1.39 0.00 -0.40 -4.92 105.19 106.42 1slj n GLY 97 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.88 4.34 0.46 1.61 0.74 -0.63 -4.79 119.66 120.51 1slj s GLN 98 Ca 0.00 0.81 -0.09 0.00 0.05 0.00 0.00 55.36 56.14 1slj s GLN 98 Cb 0.00 -3.32 -0.05 0.00 1.10 0.00 0.00 33.01 30.73 1slj s GLN 98 CO 0.00 0.41 0.80 -1.83 -0.55 0.00 0.00 175.29 174.12 1slj s GLU 99 N -0.36 3.68 0.05 1.67 -1.05 -1.26 -1.12 118.70 120.30 1slj s GLU 99 Ca 0.32 0.40 0.02 0.00 -0.15 0.00 0.00 54.97 55.56 1slj s GLU 99 Cb -0.19 -2.35 -0.03 0.00 -0.44 0.00 0.00 34.13 31.12 1slj s GLU 99 CO 0.19 -0.15 -0.07 0.14 0.95 0.00 0.00 175.26 176.32 1slj s VAL 100 N -2.59 0.48 -0.41 1.83 -7.23 0.58 -4.95 120.40 108.11 1slj s VAL 100 Ca 0.50 -1.20 -0.17 0.00 -1.81 0.00 0.00 61.98 59.30 1slj s VAL 100 Cb -0.10 -0.74 0.02 0.00 0.56 0.00 0.00 36.38 36.11 1slj s VAL 100 CO 0.38 -0.49 0.42 -0.63 -0.31 0.00 0.00 175.10 174.47 1slj s ILE 101 N -1.81 5.11 -0.09 -0.62 -1.09 -1.26 -2.61 121.20 118.83 1slj s ILE 101 Ca -0.07 -0.34 -0.08 0.00 -2.23 0.00 0.00 60.65 57.92 1slj s ILE 101 Cb -0.07 -4.01 0.03 0.00 -1.58 0.00 0.00 42.46 36.82 1slj s ILE 101 CO -0.01 -0.39 0.24 0.68 -1.23 0.00 0.00 174.94 174.24 1slj s VAL 102 N 2.09 -0.00 -0.01 2.92 -7.23 -0.30 -4.91 120.40 112.96 1slj s VAL 102 Ca 0.11 0.01 0.04 0.00 -1.81 0.00 0.00 61.98 60.34 1slj s VAL 102 Cb -0.17 -0.35 -0.03 0.00 0.56 0.00 0.00 36.38 36.39 1slj s VAL 102 CO 0.13 0.01 -0.11 0.00 -0.31 0.00 0.00 175.10 174.82 1slj s GLN 103 N 0.24 2.46 -0.58 4.82 -2.07 -1.26 0.48 119.66 123.75 1slj s GLN 103 Ca -0.01 -0.75 -0.27 0.00 -1.82 0.00 0.00 55.36 52.51 1slj s GLN 103 Cb -0.03 -2.41 -0.01 0.00 -1.09 0.00 0.00 33.01 29.47 1slj s GLN 103 CO -0.01 0.60 1.70 0.42 -1.32 0.00 0.00 175.29 176.69 1slj s ILE 104 N -0.89 3.49 0.02 3.63 -1.09 -1.26 -2.60 121.20 122.50 1slj s ILE 104 Ca 0.14 0.36 -0.02 0.00 -2.23 0.00 0.00 60.65 58.90 1slj s ILE 104 Cb -0.11 -4.10 -0.27 0.00 -1.58 0.00 0.00 42.46 36.40 1slj s ILE 104 CO 0.04 -0.99 0.90 -0.78 -1.23 0.00 0.00 174.94 172.89 1slj h ASP 105 N 13.42 0.37 -3.72 3.58 3.58 -1.75 -3.45 116.42 128.44 1slj h ASP 105 Ca -0.27 -0.49 -0.68 0.00 0.42 0.00 0.00 57.03 56.00 1slj h ASP 105 Cb 1.14 -0.12 -0.22 0.00 1.72 0.00 0.00 39.33 41.85 1slj h ASP 105 CO 1.19 1.41 -0.73 -0.75 -2.88 0.00 0.00 179.24 177.48 1slj s LYS 106 N -2.62 2.81 -0.00 0.28 2.20 -1.18 -5.01 119.74 116.21 1slj s LYS 106 Ca -0.08 -0.61 -0.22 0.00 -0.36 0.00 0.00 55.97 54.70 1slj s LYS 106 Cb 0.07 -2.55 -0.05 0.00 -1.51 0.00 0.00 37.83 33.79 1slj s LYS 106 CO 0.85 0.56 0.67 -2.00 -0.36 0.00 0.00 175.35 175.07 1slj s GLU 107 N -0.55 4.40 -0.05 4.03 -6.30 -1.25 -2.37 118.70 116.60 1slj s GLU 107 Ca 0.08 0.86 -0.30 0.00 -2.50 0.00 0.00 54.97 53.11 1slj s GLU 107 Cb -0.12 -3.37 -0.06 0.00 0.00 0.00 0.00 34.13 30.58 1slj s GLU 107 CO 0.02 0.28 1.69 -2.00 0.02 0.00 0.00 175.26 175.27 1slj s GLU 108 N 0.06 4.15 0.04 4.30 2.12 -1.25 -4.17 118.70 123.95 1slj s GLU 108 Ca 0.34 2.21 0.00 0.00 0.36 0.00 0.00 54.97 57.89 1slj s GLU 108 Cb -0.19 -4.01 0.00 0.00 0.26 0.00 0.00 34.13 30.19 1slj s GLU 108 CO 0.19 -0.88 0.00 2.89 -0.54 0.00 0.00 175.26 176.92 1slj n ARG 109 N 7.20 0.00 0.04 4.30 1.85 -1.26 -4.83 116.66 123.96 1slj n ARG 109 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.03 1slj n ARG 109 Cb 0.43 -0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.84 1slj n ARG 109 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1slj n GLY 110 N 1.53 -1.88 0.08 2.89 0.00 -1.26 -4.93 105.19 101.62 1slj n GLY 110 Ca 0.00 0.54 -0.13 0.00 0.00 0.00 0.00 46.02 46.43 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 0.00 -0.10 0.00 1.61 -0.73 -2.00 -3.39 115.58 110.98 1slj h ASN 111 Ca 0.00 -0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.09 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 0.02 -0.85 0.29 -0.37 0.00 0.00 177.43 176.52 1slj n LYS 112 N -5.10 0.86 0.00 6.67 5.02 -1.26 -5.09 118.16 119.26 1slj n LYS 112 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1slj n LYS 112 Cb 0.11 -0.93 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 1slj n LYS 112 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1slj n GLY 113 N 3.06 3.55 3.60 0.72 0.00 -1.26 -4.67 105.19 110.20 1slj n GLY 113 Ca 0.00 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.55 2.86 -0.05 4.61 0.00 -1.26 -3.86 121.76 122.51 1slj s ALA 114 Ca 0.00 0.53 0.06 0.00 0.00 0.00 0.00 51.96 52.55 1slj s ALA 114 Cb 0.00 -4.02 -0.01 0.00 0.00 0.00 0.00 23.12 19.09 1slj s ALA 114 CO 0.00 -2.61 -0.22 0.00 0.00 0.00 0.00 175.76 172.92 1slj s ALA 115 N 7.28 1.92 0.27 0.00 0.00 -1.00 -0.39 121.76 129.85 1slj s ALA 115 Ca 0.88 -0.92 -0.07 0.00 0.00 0.00 0.00 51.96 51.85 1slj s ALA 115 Cb -0.28 -0.60 -0.06 0.00 0.00 0.00 0.00 23.12 22.19 1slj s ALA 115 CO 0.34 0.38 0.56 -0.51 0.00 0.00 0.00 175.76 176.53 1slj s LEU 116 N -0.14 4.08 0.43 0.00 1.43 -0.98 -2.16 118.68 121.34 1slj s LEU 116 Ca -0.02 0.81 0.06 0.00 -1.03 0.00 0.00 54.13 53.95 1slj s LEU 116 Cb -0.12 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.43 1slj s LEU 116 CO 0.03 -0.16 0.11 0.28 0.23 0.00 0.00 176.35 176.83 1slj s THR 117 N -2.01 2.02 -0.01 5.49 -1.32 -1.07 -4.63 115.64 114.11 1slj s THR 117 Ca 0.46 -1.83 0.04 0.00 -1.21 0.00 0.00 61.69 59.14 1slj s THR 117 Cb -0.11 -2.85 0.06 0.00 -1.51 0.00 0.00 72.50 68.09 1slj s THR 117 CO 0.27 0.00 1.03 0.35 -2.21 0.00 0.00 174.62 174.06 1slj n THR 118 N -1.17 0.17 -0.57 5.08 -2.24 -1.26 -4.43 114.28 109.85 1slj n THR 118 Ca -0.05 -0.29 -0.03 0.00 -2.27 0.00 0.00 64.05 61.42 1slj n THR 118 Cb 0.66 0.48 -0.04 0.00 -2.10 0.00 0.00 70.33 69.33 1slj n THR 118 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 1slj n PHE 119 N -0.08 0.00 -4.53 4.78 1.16 -1.26 -4.81 117.46 112.73 1slj n PHE 119 Ca 0.02 -1.03 -0.28 0.00 -1.87 0.00 0.00 57.45 54.28 1slj n PHE 119 Cb 0.73 -0.73 -0.09 0.00 -1.61 0.00 0.00 39.48 37.78 1slj n PHE 119 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1slj s ILE 120 N 0.40 1.85 -0.00 1.97 1.01 -1.26 -5.01 121.20 120.15 1slj s ILE 120 Ca 0.15 -1.92 -0.05 0.00 0.00 0.00 0.00 60.65 58.83 1slj s ILE 120 Cb 0.07 -2.77 -0.24 0.00 0.01 0.00 0.00 42.46 39.54 1slj s ILE 120 CO 0.00 0.00 3.43 -0.24 0.00 0.00 0.00 174.94 178.13 1slj n SER 121 N -1.13 5.26 -4.25 3.58 2.88 -1.26 -4.81 113.62 113.89 1slj n SER 121 Ca -0.07 -2.47 -0.33 0.00 -1.33 0.00 0.00 58.87 54.66 1slj n SER 121 Cb 0.66 -1.38 -0.16 0.00 -0.75 0.00 0.00 64.21 62.58 1slj n SER 121 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1slj s LEU 122 N -0.01 2.37 0.00 2.46 1.02 -1.26 -4.81 118.68 118.45 1slj s LEU 122 Ca 0.59 -0.50 0.00 0.00 0.02 0.00 0.00 54.13 54.24 1slj s LEU 122 Cb 0.28 -1.52 0.00 0.00 0.02 0.00 0.00 46.19 44.97 1slj s LEU 122 CO -0.00 0.10 0.00 0.00 0.02 0.00 0.00 176.35 176.47 1slj n ALA 123 N 3.94 0.00 0.00 4.21 0.00 -1.26 -4.31 120.51 123.09 1slj n ALA 123 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1slj n ALA 123 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1slj n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1slj n GLY 124 N 0.00 -1.50 0.82 0.00 0.00 -1.26 -4.54 105.19 98.71 1slj n GLY 124 Ca 0.00 0.61 0.10 0.00 0.00 0.00 0.00 46.02 46.73 1slj n GLY 124 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76