#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 7.18 0.28 1.61 7.64 -1.26 -4.78 113.62 124.30 1slj n SER 31 Ca 0.00 -3.26 0.18 0.00 1.01 0.00 0.00 58.87 56.81 1slj n SER 31 Cb 0.00 -1.34 0.95 0.00 -1.01 0.00 0.00 64.21 62.80 1slj n SER 31 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 1slj h HIS 32 N 4.84 0.00 0.00 1.43 2.07 -1.96 0.52 115.15 122.04 1slj h HIS 32 Ca 0.57 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 58.03 1slj h HIS 32 Cb 0.40 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.37 1slj h HIS 32 CO 1.44 0.00 -0.28 0.52 -3.07 0.00 0.00 177.93 176.53 1slj h MET 33 N 0.00 0.00 0.00 5.12 2.86 -1.98 -1.37 114.93 119.56 1slj h MET 33 Ca 0.04 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.30 1slj h MET 33 Cb 0.38 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.98 1slj h MET 33 CO -0.00 0.28 -2.30 1.28 1.06 0.00 0.00 176.91 177.23 1slj n LEU 34 N -3.81 2.14 0.29 1.22 4.77 0.67 -4.71 117.00 117.57 1slj n LEU 34 Ca -0.01 0.14 -0.11 0.00 -0.03 0.00 0.00 56.01 55.99 1slj n LEU 34 Cb 0.37 -0.72 -0.05 0.00 -2.33 0.00 0.00 43.42 40.68 1slj n LEU 34 CO 0.35 0.63 0.48 -0.33 -1.33 0.00 0.00 177.39 177.19 1slj h GLU 35 N -0.54 -0.72 0.00 3.23 5.08 -0.22 -3.45 114.58 117.96 1slj h GLU 35 Ca -0.56 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1slj h GLU 35 Cb 1.61 0.16 0.00 0.00 0.50 0.00 0.00 28.75 31.03 1slj h GLU 35 CO -0.26 -0.48 0.00 1.04 -1.00 0.00 0.00 179.01 178.31 1slj n GLN 36 N -4.15 0.00 0.00 2.33 6.02 -0.52 -1.13 117.38 119.94 1slj n GLN 36 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 1slj n GLN 36 Cb 0.29 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.55 1slj n GLN 36 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1slj n LYS 37 N 0.00 1.07 -2.34 -1.09 4.81 -1.26 -5.05 118.16 114.29 1slj n LYS 37 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.19 1slj n LYS 37 Cb 0.00 -0.94 0.11 0.00 0.02 0.00 0.00 35.03 34.23 1slj n LYS 37 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1slj s LYS 38 N -1.76 1.59 0.72 1.64 -2.85 -0.28 -5.10 119.74 113.70 1slj s LYS 38 Ca 0.00 -0.72 -0.05 0.00 -1.00 0.00 0.00 55.97 54.20 1slj s LYS 38 Cb 0.00 -2.18 0.10 0.00 -2.06 0.00 0.00 37.83 33.68 1slj s LYS 38 CO 0.00 -1.59 1.01 0.00 0.10 0.00 0.00 175.35 174.87 1slj s ALA 39 N -3.33 3.33 0.10 0.59 0.00 -1.26 -4.74 121.76 116.46 1slj s ALA 39 Ca 0.66 -1.29 -0.31 0.00 0.00 0.00 0.00 51.96 51.02 1slj s ALA 39 Cb -0.06 -2.34 -0.10 0.00 0.00 0.00 0.00 23.12 20.62 1slj s ALA 39 CO 0.46 -1.41 1.79 1.21 0.00 0.00 0.00 175.76 177.80 1slj s ASN 40 N -4.62 6.47 0.06 0.00 3.84 -1.26 -4.79 114.94 114.63 1slj s ASN 40 Ca 0.64 2.68 -0.11 0.00 0.21 0.00 0.00 52.86 56.28 1slj s ASN 40 Cb -0.08 -2.56 -0.06 0.00 -0.55 0.00 0.00 41.25 38.00 1slj s ASN 40 CO 0.45 -0.97 0.39 -0.51 -2.79 0.00 0.00 177.10 173.67 1slj s ILE 41 N 2.79 5.09 0.03 -5.21 1.10 -1.26 -3.80 121.20 119.94 1slj s ILE 41 Ca 0.79 0.52 0.05 0.00 -0.51 0.00 0.00 60.65 61.51 1slj s ILE 41 Cb -0.44 -3.65 -0.02 0.00 0.15 0.00 0.00 42.46 38.50 1slj s ILE 41 CO 0.35 0.36 -0.16 -0.31 -2.11 0.00 0.00 174.94 173.07 1slj s TYR 42 N -1.32 1.41 -0.24 3.50 2.02 0.15 -4.94 117.35 117.93 1slj s TYR 42 Ca 0.31 -0.33 -0.04 0.00 -0.37 0.00 0.00 57.07 56.64 1slj s TYR 42 Cb -0.14 -0.86 0.01 0.00 -0.40 0.00 0.00 41.96 40.57 1slj s TYR 42 CO 0.17 0.04 -0.03 0.21 -1.57 0.00 0.00 175.55 174.36 1slj s LYS 43 N -0.95 3.15 0.35 -0.62 2.47 -1.26 -1.03 119.74 121.85 1slj s LYS 43 Ca 0.04 -0.78 -0.09 0.00 -1.56 0.00 0.00 55.97 53.59 1slj s LYS 43 Cb -0.08 -3.06 0.02 0.00 -1.46 0.00 0.00 37.83 33.26 1slj s LYS 43 CO 0.01 -0.30 0.60 0.20 0.16 0.00 0.00 175.35 176.01 1slj s GLY 44 N 1.43 0.95 0.26 5.54 0.00 -1.15 -4.89 107.32 109.47 1slj s GLY 44 Ca 0.03 -1.15 0.11 0.00 0.00 0.00 0.00 44.72 43.71 1slj s GLY 44 CO -0.03 -0.69 -0.11 0.54 0.00 0.00 0.00 173.10 172.81 1slj s LYS 45 N -2.89 1.97 0.28 2.90 1.02 -1.26 -0.71 119.74 121.05 1slj s LYS 45 Ca 0.24 -1.56 -0.29 0.00 0.02 0.00 0.00 55.97 54.37 1slj s LYS 45 Cb -0.02 -1.98 -0.10 0.00 -0.52 0.00 0.00 37.83 35.21 1slj s LYS 45 CO 0.16 0.36 1.30 0.42 -0.92 0.00 0.00 175.35 176.66 1slj s ILE 46 N -2.30 2.95 0.00 2.17 1.09 -0.47 -1.25 121.20 123.38 1slj s ILE 46 Ca 0.30 0.88 0.00 0.00 -1.10 0.00 0.00 60.65 60.72 1slj s ILE 46 Cb -0.06 -3.56 0.00 0.00 -1.06 0.00 0.00 42.46 37.78 1slj s ILE 46 CO 0.17 0.18 0.00 0.35 -0.10 0.00 0.00 174.94 175.54 1slj n THR 47 N 1.56 0.00 -3.67 2.92 -2.24 0.81 -1.68 114.28 111.98 1slj n THR 47 Ca 0.02 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.68 1slj n THR 47 Cb 0.42 0.32 -0.12 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.35 0.20 -0.23 -0.78 3.52 -1.12 -4.95 118.95 114.24 1slj s ARG 48 Ca 0.00 0.77 -0.00 0.00 -0.13 0.00 0.00 55.73 56.37 1slj s ARG 48 Cb 0.00 0.02 0.07 0.00 -1.56 0.00 0.00 34.95 33.48 1slj s ARG 48 CO 0.00 -0.25 -0.01 0.42 -0.81 0.00 0.00 175.30 174.65 1slj s ILE 49 N 2.23 1.18 -0.26 4.11 1.01 -1.26 0.49 121.20 128.70 1slj s ILE 49 Ca -0.01 -1.07 -0.09 0.00 0.00 0.00 0.00 60.65 59.48 1slj s ILE 49 Cb -0.12 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 1slj s ILE 49 CO -0.10 -0.21 0.13 -0.70 0.00 0.00 0.00 174.94 174.07 1slj s GLU 50 N 1.55 3.83 0.38 2.79 2.12 -1.17 -4.95 118.70 123.25 1slj s GLU 50 Ca -0.02 -0.39 0.11 0.00 0.36 0.00 0.00 54.97 55.03 1slj s GLU 50 Cb -0.18 -3.48 0.75 0.00 0.26 0.00 0.00 34.13 31.48 1slj s GLU 50 CO -0.09 -0.14 1.87 -1.35 -0.54 0.00 0.00 175.26 175.02 1slj h PRO 51 N 8.14 0.14 0.00 4.30 0.11 -2.00 -1.88 132.00 140.81 1slj h PRO 51 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1slj h PRO 51 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1slj h PRO 51 CO 0.58 0.38 0.00 0.45 -0.21 0.00 0.00 178.00 179.20 1slj n SER 52 N -4.19 0.02 0.00 -2.05 2.88 -1.26 -3.29 113.62 105.72 1slj n SER 52 Ca -0.01 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 1slj n SER 52 Cb 0.34 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 1slj n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1slj n LEU 53 N -1.52 0.96 -4.05 2.46 -0.00 -0.93 -5.04 117.00 108.88 1slj n LEU 53 Ca 0.06 -0.96 -0.36 0.00 -0.00 0.00 0.00 56.01 54.75 1slj n LEU 53 Cb 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.70 1slj n LEU 53 CO 0.23 0.24 -0.24 -1.84 -0.00 0.00 0.00 177.39 175.78 1slj n GLU 54 N -0.18 -1.16 -3.46 1.47 0.28 -0.75 -4.89 120.64 111.95 1slj n GLU 54 Ca 0.00 0.21 -0.11 0.00 -0.16 0.00 0.00 57.16 57.10 1slj n GLU 54 Cb 0.24 -3.45 -0.02 0.00 1.43 0.00 0.00 31.44 29.64 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 -3.82 -1.71 -0.01 -1.84 0.00 -1.25 -1.76 121.76 111.37 1slj s ALA 55 Ca 0.27 0.78 0.04 0.00 0.00 0.00 0.00 51.96 53.06 1slj s ALA 55 Cb -0.13 0.60 -0.01 0.00 0.00 0.00 0.00 23.12 23.57 1slj s ALA 55 CO 0.94 -0.70 -0.14 0.00 0.00 0.00 0.00 175.76 175.87 1slj s ALA 56 N -3.25 1.18 -0.14 0.00 0.00 -0.21 -3.02 121.76 116.32 1slj s ALA 56 Ca 0.02 -0.62 -0.18 0.00 0.00 0.00 0.00 51.96 51.18 1slj s ALA 56 Cb -0.01 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 1slj s ALA 56 CO -0.09 0.29 0.46 -0.06 0.00 0.00 0.00 175.76 176.35 1slj s PHE 57 N -0.36 3.47 -0.15 0.00 0.08 0.18 -0.48 117.98 120.73 1slj s PHE 57 Ca 0.05 0.82 -0.04 0.00 0.12 0.00 0.00 56.93 57.89 1slj s PHE 57 Cb -0.06 -2.55 -0.03 0.00 -0.57 0.00 0.00 43.02 39.81 1slj s PHE 57 CO -0.00 0.11 -0.03 0.08 -0.10 0.00 0.00 175.22 175.28 1slj s VAL 58 N 0.84 3.98 -0.62 -0.44 1.01 0.19 -0.14 120.40 125.22 1slj s VAL 58 Ca 0.24 -0.33 -0.14 0.00 0.00 0.00 0.00 61.98 61.75 1slj s VAL 58 Cb -0.15 -2.74 0.16 0.00 0.00 0.00 0.00 36.38 33.65 1slj s VAL 58 CO 0.09 0.50 0.56 -0.62 0.00 0.00 0.00 175.10 175.64 1slj s ASP 59 N 0.23 6.26 -0.54 3.32 -1.08 -0.38 -2.32 116.67 122.16 1slj s ASP 59 Ca -0.02 -2.14 0.07 0.00 -0.52 0.00 0.00 52.55 49.95 1slj s ASP 59 Cb -0.14 -2.17 0.28 0.00 -1.46 0.00 0.00 42.92 39.44 1slj s ASP 59 CO 0.03 -0.73 0.75 0.00 0.52 0.00 0.00 175.17 175.74 1slj n TYR 60 N 4.73 2.45 -1.07 -5.34 4.11 -1.26 -4.06 117.16 116.71 1slj n TYR 60 Ca -0.04 -3.95 -0.03 0.00 -0.00 0.00 0.00 57.90 53.88 1slj n TYR 60 Cb 0.42 -0.48 -0.01 0.00 -0.00 0.00 0.00 39.34 39.27 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 0.63 0.32 3.58 -7.48 0.00 -1.26 -4.91 105.19 96.07 1slj n GLY 61 Ca 0.28 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.26 3.24 -0.25 4.61 0.00 -1.26 -4.88 121.76 121.95 1slj s ALA 62 Ca 0.00 -0.66 0.28 0.00 0.00 0.00 0.00 51.96 51.58 1slj s ALA 62 Cb 0.00 -3.69 0.91 0.00 0.00 0.00 0.00 23.12 20.33 1slj s ALA 62 CO 0.00 -2.04 1.80 0.93 0.00 0.00 0.00 175.76 176.45 1slj h GLU 63 N 9.02 0.00 -0.01 0.00 5.08 -1.96 -0.96 114.58 125.75 1slj h GLU 63 Ca -0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1slj h GLU 63 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1slj h GLU 63 CO 1.05 0.00 -0.53 0.54 -1.00 0.00 0.00 179.01 179.06 1slj n ARG 64 N -2.88 0.65 -2.43 2.33 5.12 -1.26 -5.06 116.66 113.12 1slj n ARG 64 Ca 0.03 -0.48 -0.02 0.00 -1.93 0.00 0.00 57.85 55.45 1slj n ARG 64 Cb 0.39 -1.49 -0.01 0.00 -1.16 0.00 0.00 32.46 30.18 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 -0.76 -4.62 -1.67 -1.55 8.25 -0.37 -4.54 115.22 109.97 1slj n HIS 65 Ca 0.08 2.73 -0.42 0.00 -0.26 0.00 0.00 57.72 59.85 1slj n HIS 65 Cb 0.38 -3.79 -0.03 0.00 1.12 0.00 0.00 29.99 27.68 1slj n HIS 65 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1slj n GLY 66 N 1.84 1.78 3.22 -1.41 0.00 -0.98 -4.46 105.19 105.17 1slj n GLY 66 Ca -0.12 0.78 -0.37 0.00 0.00 0.00 0.00 46.02 46.31 1slj n GLY 66 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1slj s PHE 67 N 3.77 3.32 -0.29 1.61 5.36 0.80 0.52 117.98 133.08 1slj s PHE 67 Ca 0.86 -1.73 -0.17 0.00 -0.96 0.00 0.00 56.93 54.93 1slj s PHE 67 Cb -0.46 -2.47 -0.02 0.00 -0.34 0.00 0.00 43.02 39.72 1slj s PHE 67 CO 0.41 -0.81 0.49 -1.17 -1.46 0.00 0.00 175.22 172.68 1slj s LEU 68 N 1.32 4.13 0.25 6.12 0.20 0.37 -2.12 118.68 128.94 1slj s LEU 68 Ca -0.00 0.33 -0.30 0.00 0.69 0.00 0.00 54.13 54.84 1slj s LEU 68 Cb -0.21 -2.60 -0.10 0.00 -0.43 0.00 0.00 46.19 42.85 1slj s LEU 68 CO 0.00 -0.32 1.46 -2.84 -0.29 0.00 0.00 176.35 174.36 1slj s PRO 69 N 2.30 4.25 0.48 0.98 0.02 -1.26 -1.05 135.00 140.71 1slj s PRO 69 Ca 0.19 2.33 0.17 0.00 0.02 0.00 0.00 61.00 63.71 1slj s PRO 69 Cb -0.16 -3.10 1.16 0.00 0.02 0.00 0.00 34.50 32.42 1slj s PRO 69 CO 0.10 -0.45 2.03 1.25 -0.33 0.00 0.00 177.00 179.61 1slj h LEU 70 N 5.06 0.20 0.00 -5.54 5.85 -1.69 -0.07 115.31 119.13 1slj h LEU 70 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1slj h LEU 70 Cb 1.22 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1slj h LEU 70 CO 0.78 0.13 0.00 2.29 -0.34 0.00 0.00 178.44 181.30 1slj n LYS 71 N -4.46 0.09 -0.00 1.25 2.85 -1.26 -1.68 118.16 114.95 1slj n LYS 71 Ca 0.06 0.20 0.08 0.00 -1.05 0.00 0.00 58.31 57.60 1slj n LYS 71 Cb 0.33 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 33.11 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 -1.41 1.28 -1.78 -1.58 -0.58 -0.04 -5.02 120.64 111.50 1slj n GLU 72 Ca 0.05 -0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.37 1slj n GLU 72 Cb 0.15 -1.32 -0.02 0.00 -0.57 0.00 0.00 31.44 29.68 1slj n GLU 72 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1slj s ILE 73 N -2.64 2.10 0.26 -3.67 1.01 -0.68 -3.51 121.20 114.08 1slj s ILE 73 Ca 0.07 0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.50 1slj s ILE 73 Cb 0.13 -3.05 -0.09 0.00 0.01 0.00 0.00 42.46 39.46 1slj s ILE 73 CO 0.71 0.01 1.00 0.00 0.00 0.00 0.00 174.94 176.66 1slj s ALA 74 N 0.36 3.34 -0.32 9.38 0.00 -1.25 -4.93 121.76 128.34 1slj s ALA 74 Ca 0.66 0.71 0.16 0.00 0.00 0.00 0.00 51.96 53.49 1slj s ALA 74 Cb -0.48 -3.25 0.87 0.00 0.00 0.00 0.00 23.12 20.26 1slj s ALA 74 CO 0.43 0.07 1.47 -2.13 0.00 0.00 0.00 175.76 175.59 1slj n ARG 75 N 1.27 0.10 0.08 0.00 0.63 -1.26 -2.14 116.66 115.34 1slj n ARG 75 Ca -0.01 0.59 0.17 0.00 -0.92 0.00 0.00 57.85 57.68 1slj n ARG 75 Cb 0.47 -1.89 0.68 0.00 0.45 0.00 0.00 32.46 32.16 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 0.17 -0.14 4.57 -1.85 -2.97 114.58 114.36 1slj h GLU 76 Ca 0.00 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.85 1slj h GLU 76 Cb 0.10 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1slj h GLU 76 CO 0.00 0.00 -1.64 1.88 -1.18 0.00 0.00 179.01 178.07 1slj h TYR 77 N 0.00 0.66 -3.36 0.92 0.05 -1.76 -3.37 116.97 110.11 1slj h TYR 77 Ca 0.18 -0.48 -0.76 0.00 0.05 0.00 0.00 58.73 57.72 1slj h TYR 77 Cb 0.71 -0.03 -0.26 0.00 1.01 0.00 0.00 36.73 38.17 1slj h TYR 77 CO 0.00 1.64 -0.17 -0.59 -1.05 0.00 0.00 178.16 177.99 1slj s PHE 78 N -2.55 3.44 0.10 4.88 -0.71 -1.13 -4.81 117.98 117.21 1slj s PHE 78 Ca -0.17 -1.68 -0.18 0.00 -1.04 0.00 0.00 56.93 53.87 1slj s PHE 78 Cb 0.05 -3.72 -0.10 0.00 -1.21 0.00 0.00 43.02 38.04 1slj s PHE 78 CO 0.83 -1.00 0.36 -0.35 -1.34 0.00 0.00 175.22 173.72 1slj n PRO 79 N 4.73 0.00 0.12 1.99 -0.04 -1.22 -4.61 135.00 135.98 1slj n PRO 79 Ca -0.04 0.00 0.19 0.00 -0.04 0.00 0.00 63.50 63.61 1slj n PRO 79 Cb 0.42 -0.64 0.70 0.00 -0.04 0.00 0.00 33.50 33.94 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 0.76 2.03 -0.24 0.55 0.00 -1.83 0.68 119.26 121.20 1slj h ALA 80 Ca -0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1slj h ALA 80 Cb 0.86 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1slj h ALA 80 CO 0.35 -0.72 0.00 -1.71 0.00 0.00 0.00 179.25 177.17 1slj n ASN 81 N -3.43 2.25 -4.73 0.00 5.15 -1.26 -4.85 115.26 108.40 1slj n ASN 81 Ca 0.07 -1.82 -0.40 0.00 -0.60 0.00 0.00 54.58 51.83 1slj n ASN 81 Cb 0.68 -0.15 -0.05 0.00 -0.53 0.00 0.00 39.78 39.73 1slj n ASN 81 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1slj s TYR 82 N -1.69 3.66 -0.56 1.20 5.04 0.24 -4.97 117.35 120.27 1slj s TYR 82 Ca 0.34 1.42 -0.26 0.00 -2.44 0.00 0.00 57.07 56.12 1slj s TYR 82 Cb 0.19 -2.86 -0.04 0.00 0.35 0.00 0.00 41.96 39.60 1slj s TYR 82 CO 0.27 0.16 2.09 -1.54 -1.34 0.00 0.00 175.55 175.19 1slj s SER 83 N 0.43 4.92 -1.16 4.32 1.04 -1.26 -4.84 113.70 117.13 1slj s SER 83 Ca 0.40 0.64 -0.05 0.00 0.48 0.00 0.00 55.95 57.42 1slj s SER 83 Cb -0.19 -2.52 0.11 0.00 0.10 0.00 0.00 66.02 63.51 1slj s SER 83 CO 0.22 -2.60 2.46 0.00 0.98 0.00 0.00 173.24 174.30 1slj n ALA 84 N 14.09 6.75 -1.22 5.32 0.00 -1.26 -4.82 120.51 139.38 1slj n ALA 84 Ca 0.27 -3.89 -0.30 0.00 0.00 0.00 0.00 53.44 49.52 1slj n ALA 84 Cb 0.53 -2.66 -0.08 0.00 0.00 0.00 0.00 19.45 17.25 1slj n ALA 84 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1slj n HIS 85 N 1.58 1.62 0.00 0.00 1.44 -1.26 -4.71 115.22 113.89 1slj n HIS 85 Ca 0.60 -2.56 0.00 0.00 -2.01 0.00 0.00 57.72 53.75 1slj n HIS 85 Cb 0.30 -2.19 0.00 0.00 0.12 0.00 0.00 29.99 28.22 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 3.19 0.22 3.24 -1.39 0.00 -1.26 -5.08 105.19 104.10 1slj n GLY 86 Ca 0.67 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 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 2.98 0.50 1.61 0.52 -1.26 -5.11 118.95 118.18 1slj s ARG 87 Ca 0.00 -0.87 -0.23 0.00 -0.52 0.00 0.00 55.73 54.10 1slj s ARG 87 Cb 0.00 -2.29 -0.07 0.00 0.52 0.00 0.00 34.95 33.11 1slj s ARG 87 CO 0.00 0.22 1.33 -0.35 0.02 0.00 0.00 175.30 176.52 1slj n PRO 88 N 3.42 1.84 -3.51 3.54 -0.04 -1.26 -5.00 135.00 133.98 1slj n PRO 88 Ca -0.19 0.67 -0.39 0.00 -0.04 0.00 0.00 63.50 63.55 1slj n PRO 88 Cb 0.53 -2.52 -0.10 0.00 -0.04 0.00 0.00 33.50 31.37 1slj n PRO 88 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1slj s ASN 89 N -0.73 6.10 0.15 3.54 2.47 -1.26 -4.93 114.94 120.27 1slj s ASN 89 Ca 0.67 -0.05 -0.17 0.00 0.42 0.00 0.00 52.86 53.73 1slj s ASN 89 Cb -0.45 -2.15 0.04 0.00 -1.45 0.00 0.00 41.25 37.24 1slj s ASN 89 CO 0.53 -0.15 1.76 -0.29 -3.72 0.00 0.00 177.10 175.23 1slj h ILE 90 N 5.42 0.94 0.00 -5.21 2.10 -1.93 0.28 117.51 119.10 1slj h ILE 90 Ca -0.33 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.51 1slj h ILE 90 Cb 1.17 0.61 0.00 0.00 -1.09 0.00 0.00 36.82 37.52 1slj h ILE 90 CO 0.60 0.05 0.00 0.29 -1.08 0.00 0.00 178.15 178.02 1slj n LYS 91 N -4.99 0.11 -0.07 2.19 5.02 -1.26 0.01 118.16 119.17 1slj n LYS 91 Ca 0.00 0.22 0.04 0.00 -2.02 0.00 0.00 58.31 56.56 1slj n LYS 91 Cb 0.10 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.69 1slj n LYS 91 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1slj n ASP 92 N -1.33 2.23 -0.00 4.39 9.92 0.88 -4.68 116.55 127.96 1slj n ASP 92 Ca 0.04 -1.68 -0.03 0.00 -0.53 0.00 0.00 54.79 52.59 1slj n ASP 92 Cb 0.08 -0.09 -0.01 0.00 -0.64 0.00 0.00 41.12 40.46 1slj n ASP 92 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1slj n VAL 93 N 0.39 0.48 -3.99 2.53 0.31 -0.21 -4.91 118.33 112.94 1slj n VAL 93 Ca 0.07 0.07 -0.26 0.00 -0.01 0.00 0.00 64.34 64.21 1slj n VAL 93 Cb 0.30 -1.58 -0.04 0.00 -0.91 0.00 0.00 33.84 31.61 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 -6.43 4.18 0.00 7.52 1.43 0.10 -4.26 118.68 121.21 1slj s LEU 94 Ca -0.04 0.08 -0.10 0.00 -1.03 0.00 0.00 54.13 53.04 1slj s LEU 94 Cb 0.01 -2.76 0.01 0.00 0.03 0.00 0.00 46.19 43.48 1slj s LEU 94 CO 0.06 0.06 0.19 0.00 0.23 0.00 0.00 176.35 176.89 1slj s ARG 95 N -3.17 0.56 -0.24 1.70 3.03 -1.26 -4.47 118.95 115.09 1slj s ARG 95 Ca 0.33 -0.36 -0.31 0.00 2.03 0.00 0.00 55.73 57.43 1slj s ARG 95 Cb -0.11 0.24 -0.07 0.00 -1.03 0.00 0.00 34.95 33.98 1slj s ARG 95 CO 0.27 -0.14 2.19 0.39 -1.13 0.00 0.00 175.30 176.87 1slj n GLU 96 N 1.32 1.74 0.00 3.89 1.02 -1.26 -0.03 120.64 127.32 1slj n GLU 96 Ca -0.22 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 1slj n GLU 96 Cb 0.56 -2.97 0.00 0.00 -0.02 0.00 0.00 31.44 29.01 1slj n GLU 96 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1slj n GLY 97 N 5.89 0.84 3.80 0.62 0.00 -0.67 -4.94 105.19 110.72 1slj n GLY 97 Ca 0.33 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.98 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 3.97 0.52 1.61 0.74 0.95 -4.86 119.66 122.24 1slj s GLN 98 Ca 0.00 0.16 -0.11 0.00 0.05 0.00 0.00 55.36 55.46 1slj s GLN 98 Cb 0.00 -3.31 -0.05 0.00 1.10 0.00 0.00 33.01 30.75 1slj s GLN 98 CO 0.00 0.50 0.92 -1.83 -0.55 0.00 0.00 175.29 174.33 1slj s GLU 99 N -0.37 3.71 0.03 1.67 -1.05 -1.26 -1.36 118.70 120.07 1slj s GLU 99 Ca 0.19 0.63 -0.02 0.00 -0.15 0.00 0.00 54.97 55.62 1slj s GLU 99 Cb -0.14 -2.22 -0.02 0.00 -0.44 0.00 0.00 34.13 31.31 1slj s GLU 99 CO 0.07 -0.31 0.01 0.14 0.95 0.00 0.00 175.26 176.12 1slj s VAL 100 N -2.79 0.13 -0.38 1.83 -7.23 0.11 -4.93 120.40 107.14 1slj s VAL 100 Ca 0.54 -1.07 -0.12 0.00 -1.81 0.00 0.00 61.98 59.51 1slj s VAL 100 Cb -0.10 -0.61 0.02 0.00 0.56 0.00 0.00 36.38 36.25 1slj s VAL 100 CO 0.42 -0.59 0.22 -0.63 -0.31 0.00 0.00 175.10 174.21 1slj s ILE 101 N -2.08 4.74 -0.02 -0.62 -1.09 -1.26 -2.91 121.20 117.96 1slj s ILE 101 Ca -0.10 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.55 1slj s ILE 101 Cb -0.05 -3.63 0.03 0.00 -1.58 0.00 0.00 42.46 37.23 1slj s ILE 101 CO -0.03 -0.23 0.02 0.68 -1.23 0.00 0.00 174.94 174.15 1slj s VAL 102 N 1.59 0.04 0.20 2.92 -7.23 -0.20 -4.69 120.40 113.04 1slj s VAL 102 Ca 0.03 0.15 0.06 0.00 -1.81 0.00 0.00 61.98 60.41 1slj s VAL 102 Cb -0.19 -0.15 -0.04 0.00 0.56 0.00 0.00 36.38 36.56 1slj s VAL 102 CO 0.07 0.11 0.19 0.00 -0.31 0.00 0.00 175.10 175.16 1slj s GLN 103 N 0.99 3.01 -0.66 4.82 -2.07 -1.25 0.33 119.66 124.82 1slj s GLN 103 Ca -0.09 -0.90 -0.27 0.00 -1.82 0.00 0.00 55.36 52.28 1slj s GLN 103 Cb -0.12 -2.67 0.03 0.00 -1.09 0.00 0.00 33.01 29.16 1slj s GLN 103 CO -0.02 0.45 1.20 0.42 -1.32 0.00 0.00 175.29 176.02 1slj s ILE 104 N -1.92 3.93 0.05 3.63 -1.09 -1.25 -2.61 121.20 121.94 1slj s ILE 104 Ca 0.32 0.55 -0.18 0.00 -2.23 0.00 0.00 60.65 59.11 1slj s ILE 104 Cb -0.09 -4.80 -0.14 0.00 -1.58 0.00 0.00 42.46 35.84 1slj s ILE 104 CO 0.25 -1.57 1.31 -0.78 -1.23 0.00 0.00 174.94 172.92 1slj h ASP 105 N 9.75 0.57 -3.40 3.58 3.58 -0.99 -3.46 116.42 126.04 1slj h ASP 105 Ca -0.27 -0.55 -0.50 0.00 0.42 0.00 0.00 57.03 56.13 1slj h ASP 105 Cb 1.06 -0.16 -0.17 0.00 1.72 0.00 0.00 39.33 41.77 1slj h ASP 105 CO 1.22 1.02 -0.77 -0.54 -2.88 0.00 0.00 179.24 177.29 1slj s LYS 106 N -4.03 1.30 0.31 0.28 1.02 -1.23 -5.01 119.74 112.39 1slj s LYS 106 Ca -0.13 -1.47 -0.04 0.00 0.02 0.00 0.00 55.97 54.35 1slj s LYS 106 Cb 0.06 -1.28 -0.05 0.00 -0.52 0.00 0.00 37.83 36.05 1slj s LYS 106 CO 0.80 0.25 0.57 -1.21 -0.92 0.00 0.00 175.35 174.83 1slj s GLU 107 N -3.06 3.60 -0.91 1.68 2.02 -1.26 -1.95 118.70 118.82 1slj s GLU 107 Ca 0.18 -0.04 -0.25 0.00 0.02 0.00 0.00 54.97 54.89 1slj s GLU 107 Cb -0.04 -2.63 -0.05 0.00 0.10 0.00 0.00 34.13 31.50 1slj s GLU 107 CO 0.07 0.18 1.97 -1.21 0.02 0.00 0.00 175.26 176.29 1slj s GLU 108 N -3.75 2.49 0.00 1.61 2.02 -1.12 -4.03 118.70 115.93 1slj s GLU 108 Ca 0.43 -0.28 0.16 0.00 0.02 0.00 0.00 54.97 55.31 1slj s GLU 108 Cb -0.10 -5.05 0.46 0.00 0.10 0.00 0.00 34.13 29.54 1slj s GLU 108 CO 0.32 -3.47 1.38 0.54 0.02 0.00 0.00 175.26 174.05 1slj n ARG 109 N 8.83 2.13 0.00 1.61 1.74 -1.26 -4.77 116.66 124.94 1slj n ARG 109 Ca 0.41 -1.75 0.00 0.00 -0.77 0.00 0.00 57.85 55.74 1slj n ARG 109 Cb 0.47 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.51 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 1.29 1.73 0.23 -0.13 0.00 -1.26 -4.42 105.19 102.63 1slj n GLY 110 Ca 0.17 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.19 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 0.20 0.00 1.61 -0.73 -1.96 -3.33 115.58 111.37 1slj h ASN 111 Ca 0.00 -0.04 -0.02 0.00 1.87 0.00 0.00 56.30 58.10 1slj h ASN 111 Cb 0.00 -0.05 -0.00 0.00 0.27 0.00 0.00 38.32 38.53 1slj h ASN 111 CO 0.00 0.38 -1.09 0.29 -0.37 0.00 0.00 177.43 176.65 1slj n LYS 112 N -4.25 0.16 0.00 6.67 5.02 -1.26 -5.10 118.16 119.39 1slj n LYS 112 Ca -0.01 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1slj n LYS 112 Cb 0.29 -1.03 0.00 0.00 -0.02 0.00 0.00 35.03 34.27 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 3.41 0.88 3.54 0.72 0.00 -1.25 -4.48 105.19 108.01 1slj n GLY 113 Ca -0.03 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 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 2.83 -0.14 4.61 0.00 -1.26 -2.78 121.76 123.02 1slj s ALA 114 Ca 0.00 -2.20 -0.29 0.00 0.00 0.00 0.00 51.96 49.46 1slj s ALA 114 Cb 0.00 -4.40 -0.01 0.00 0.00 0.00 0.00 23.12 18.71 1slj s ALA 114 CO 0.00 -3.45 1.05 0.00 0.00 0.00 0.00 175.76 173.37 1slj s ALA 115 N 4.71 3.51 0.41 0.00 0.00 -0.82 -0.14 121.76 129.42 1slj s ALA 115 Ca 0.42 0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.72 1slj s ALA 115 Cb -0.02 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 1slj s ALA 115 CO -0.06 -0.77 0.65 -0.51 0.00 0.00 0.00 175.76 175.07 1slj s LEU 116 N 2.43 3.81 0.04 0.00 1.43 -0.90 -0.38 118.68 125.11 1slj s LEU 116 Ca 0.48 0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 54.12 1slj s LEU 116 Cb -0.18 -3.45 -0.03 0.00 0.03 0.00 0.00 46.19 42.56 1slj s LEU 116 CO 0.15 -0.48 0.01 0.28 0.23 0.00 0.00 176.35 176.54 1slj s THR 117 N -2.51 0.17 -0.28 5.49 -1.32 -1.07 -4.52 115.64 111.60 1slj s THR 117 Ca 0.44 -1.38 0.20 0.00 -1.21 0.00 0.00 61.69 59.74 1slj s THR 117 Cb -0.10 -1.05 0.49 0.00 -1.51 0.00 0.00 72.50 70.33 1slj s THR 117 CO 0.39 -0.76 1.09 0.35 -2.21 0.00 0.00 174.62 173.48 1slj n THR 118 N 0.62 1.39 -0.95 5.08 -2.24 -1.23 -3.94 114.28 113.02 1slj n THR 118 Ca -0.18 -3.13 -0.23 0.00 -2.27 0.00 0.00 64.05 58.24 1slj n THR 118 Cb 0.59 0.88 0.12 0.00 -2.10 0.00 0.00 70.33 69.82 1slj n THR 118 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1slj n PHE 119 N -0.52 2.59 -3.97 4.78 3.72 -1.26 -3.76 117.46 119.04 1slj n PHE 119 Ca 0.12 -1.95 -0.31 0.00 -0.05 0.00 0.00 57.45 55.26 1slj n PHE 119 Cb 0.82 -0.98 -0.14 0.00 -0.94 0.00 0.00 39.48 38.24 1slj n PHE 119 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1slj s ILE 120 N -3.13 2.51 0.00 4.37 1.01 -1.26 -4.88 121.20 119.81 1slj s ILE 120 Ca 0.49 -2.94 0.00 0.00 0.00 0.00 0.00 60.65 58.20 1slj s ILE 120 Cb 0.40 -2.78 0.00 0.00 0.01 0.00 0.00 42.46 40.10 1slj s ILE 120 CO 0.06 -0.73 0.00 -1.20 0.00 0.00 0.00 174.94 173.07 1slj n SER 121 N 3.55 0.00 -4.64 3.58 7.64 -1.26 -4.91 113.62 117.58 1slj n SER 121 Ca 0.05 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.65 1slj n SER 121 Cb 0.36 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.67 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 0.00 2.73 0.00 -3.43 1.02 -1.26 -4.66 118.68 113.07 1slj s LEU 122 Ca 0.00 0.37 0.00 0.00 0.02 0.00 0.00 54.13 54.52 1slj s LEU 122 Cb 0.00 -2.75 0.00 0.00 0.02 0.00 0.00 46.19 43.46 1slj s LEU 122 CO 0.00 -2.06 0.00 0.00 0.02 0.00 0.00 176.35 174.31 1slj n ALA 123 N -3.27 0.00 -0.30 4.21 0.00 -1.26 -4.74 120.51 115.15 1slj n ALA 123 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1slj n ALA 123 Cb 0.60 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.48 2.52 0.00 0.00 0.00 -1.26 -4.66 105.19 101.30 1slj n GLY 124 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1slj n GLY 124 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18