#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 4.45 -2.87 1.61 7.64 -1.26 -4.52 113.62 118.67 1slj n SER 31 Ca 0.00 -2.82 -0.12 0.00 1.01 0.00 0.00 58.87 56.94 1slj n SER 31 Cb 0.00 -1.64 0.02 0.00 -1.01 0.00 0.00 64.21 61.58 1slj n SER 31 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1slj n HIS 32 N 5.75 -2.46 -3.47 1.43 -0.00 -1.26 -4.94 115.22 110.27 1slj n HIS 32 Ca 0.55 -2.30 -0.43 0.00 0.46 0.00 0.00 57.72 55.99 1slj n HIS 32 Cb 0.37 1.05 -0.05 0.00 -0.12 0.00 0.00 29.99 31.24 1slj n HIS 32 CO 0.00 0.00 0.00 1.41 0.46 0.00 0.00 176.34 178.21 1slj s MET 33 N 0.08 3.14 5.03 1.57 -2.45 -1.26 -4.96 119.30 120.45 1slj s MET 33 Ca 0.32 -2.36 0.00 0.00 -1.25 0.00 0.00 55.69 52.40 1slj s MET 33 Cb 0.23 -4.16 0.00 0.00 1.25 0.00 0.00 34.83 32.14 1slj s MET 33 CO -0.19 -1.25 0.00 1.28 1.05 0.00 0.00 175.02 175.91 1slj n LEU 34 N 4.01 0.00 0.00 4.11 4.77 -1.26 -4.82 117.00 123.81 1slj n LEU 34 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1slj n LEU 34 Cb 0.43 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.53 1slj n LEU 34 CO 0.36 0.00 0.43 -1.84 -1.33 0.00 0.00 177.39 175.01 1slj n GLU 35 N 0.00 0.17 -3.79 3.23 0.00 -1.26 -4.25 120.64 114.75 1slj n GLU 35 Ca 0.00 -0.48 -0.32 0.00 0.00 0.00 0.00 57.16 56.36 1slj n GLU 35 Cb 0.00 0.71 -0.10 0.00 0.00 0.00 0.00 31.44 32.05 1slj n GLU 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.13 175.99 1slj s GLN 36 N -2.01 2.73 -2.08 3.44 2.00 -1.26 -4.80 119.66 117.67 1slj s GLN 36 Ca 0.12 -3.17 0.00 0.00 -2.00 0.00 0.00 55.36 50.31 1slj s GLN 36 Cb -0.01 -3.64 0.00 0.00 0.80 0.00 0.00 33.01 30.16 1slj s GLN 36 CO 0.01 -1.25 0.00 1.63 -0.50 0.00 0.00 175.29 175.18 1slj n LYS 37 N 2.38 -1.46 -1.76 1.67 4.76 -1.26 -4.90 118.16 117.59 1slj n LYS 37 Ca 0.18 1.16 0.00 0.00 -2.87 0.00 0.00 58.31 56.77 1slj n LYS 37 Cb 0.36 -5.55 0.00 0.00 -1.84 0.00 0.00 35.03 28.00 1slj n LYS 37 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1slj n LYS 38 N -2.37 0.93 -0.89 1.97 2.85 -1.26 -5.14 118.16 114.25 1slj n LYS 38 Ca -0.20 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.75 1slj n LYS 38 Cb 0.66 0.00 0.14 0.00 -0.65 0.00 0.00 35.03 35.18 1slj n LYS 38 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1slj s ALA 39 N -2.00 1.73 -0.13 0.58 0.00 -1.26 -4.88 121.76 115.81 1slj s ALA 39 Ca 0.00 0.50 -0.29 0.00 0.00 0.00 0.00 51.96 52.17 1slj s ALA 39 Cb 0.00 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.66 1slj s ALA 39 CO 0.00 -2.43 2.04 -0.80 0.00 0.00 0.00 175.76 174.57 1slj s ASN 40 N -2.87 5.96 0.33 0.00 -0.87 -1.26 -4.74 114.94 111.49 1slj s ASN 40 Ca 0.65 2.13 -0.23 0.00 -1.57 0.00 0.00 52.86 53.85 1slj s ASN 40 Cb -0.21 -2.52 -0.10 0.00 -0.02 0.00 0.00 41.25 38.40 1slj s ASN 40 CO 0.57 -1.52 0.90 -0.51 -2.57 0.00 0.00 177.10 173.96 1slj s ILE 41 N 6.43 4.34 0.15 0.60 1.10 -1.26 -4.50 121.20 128.05 1slj s ILE 41 Ca 0.92 1.60 0.09 0.00 -0.51 0.00 0.00 60.65 62.75 1slj s ILE 41 Cb -0.35 -3.86 -0.04 0.00 0.15 0.00 0.00 42.46 38.36 1slj s ILE 41 CO 0.37 0.02 -0.21 -0.31 -2.11 0.00 0.00 174.94 172.69 1slj s TYR 42 N -1.76 1.95 -0.34 3.50 2.02 0.27 -4.94 117.35 118.06 1slj s TYR 42 Ca 0.52 -0.42 -0.01 0.00 -0.37 0.00 0.00 57.07 56.79 1slj s TYR 42 Cb -0.15 -1.01 0.11 0.00 -0.40 0.00 0.00 41.96 40.51 1slj s TYR 42 CO 0.20 0.32 0.15 0.21 -1.57 0.00 0.00 175.55 174.86 1slj s LYS 43 N -2.40 0.70 0.28 -0.62 2.20 -1.25 -0.63 119.74 118.02 1slj s LYS 43 Ca 0.13 -1.19 0.04 0.00 -0.36 0.00 0.00 55.97 54.59 1slj s LYS 43 Cb -0.08 -1.81 -0.03 0.00 -1.51 0.00 0.00 37.83 34.40 1slj s LYS 43 CO 0.06 -1.06 0.23 0.20 -0.36 0.00 0.00 175.35 174.43 1slj s GLY 44 N 1.38 1.95 0.23 5.54 0.00 -1.09 -4.88 107.32 110.45 1slj s GLY 44 Ca 0.12 -1.90 0.05 0.00 0.00 0.00 0.00 44.72 42.99 1slj s GLY 44 CO -0.18 -1.42 0.34 0.54 0.00 0.00 0.00 173.10 172.38 1slj s LYS 45 N -3.70 3.41 0.30 2.90 3.01 -1.26 -0.09 119.74 124.31 1slj s LYS 45 Ca 0.40 -0.76 -0.29 0.00 -1.01 0.00 0.00 55.97 54.30 1slj s LYS 45 Cb 0.04 -2.88 -0.10 0.00 -1.01 0.00 0.00 37.83 33.88 1slj s LYS 45 CO 0.21 0.44 1.31 0.42 0.51 0.00 0.00 175.35 178.24 1slj s ILE 46 N -1.96 2.84 0.00 2.17 1.09 0.75 -1.63 121.20 124.45 1slj s ILE 46 Ca 0.34 0.80 0.00 0.00 -1.10 0.00 0.00 60.65 60.69 1slj s ILE 46 Cb -0.09 -3.51 0.00 0.00 -1.06 0.00 0.00 42.46 37.80 1slj s ILE 46 CO 0.29 0.17 0.07 0.35 -0.10 0.00 0.00 174.94 175.71 1slj n THR 47 N 1.31 0.00 -3.65 2.92 -2.24 0.86 -1.56 114.28 111.93 1slj n THR 47 Ca 0.02 -0.23 -0.04 0.00 -2.27 0.00 0.00 64.05 61.52 1slj n THR 47 Cb 0.42 1.15 -0.06 0.00 -2.10 0.00 0.00 70.33 69.74 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 -0.33 0.57 -0.20 -0.78 3.52 -1.14 -4.94 118.95 115.65 1slj s ARG 48 Ca 0.00 1.31 -0.04 0.00 -0.13 0.00 0.00 55.73 56.87 1slj s ARG 48 Cb 0.00 0.57 0.06 0.00 -1.56 0.00 0.00 34.95 34.02 1slj s ARG 48 CO 0.00 -0.19 0.06 0.42 -0.81 0.00 0.00 175.30 174.78 1slj s ILE 49 N 2.47 0.28 -0.34 4.11 1.01 -1.26 0.07 121.20 127.53 1slj s ILE 49 Ca -0.07 -0.46 -0.10 0.00 0.00 0.00 0.00 60.65 60.02 1slj s ILE 49 Cb -0.10 -0.89 0.01 0.00 0.01 0.00 0.00 42.46 41.49 1slj s ILE 49 CO -0.18 -0.28 0.18 -1.61 0.00 0.00 0.00 174.94 173.04 1slj s GLU 50 N 1.97 3.11 0.64 2.79 2.02 -1.13 -4.93 118.70 123.16 1slj s GLU 50 Ca 0.01 -0.88 0.43 0.00 0.02 0.00 0.00 54.97 54.55 1slj s GLU 50 Cb -0.17 -3.64 2.32 0.00 0.10 0.00 0.00 34.13 32.74 1slj s GLU 50 CO -0.11 -0.54 2.31 -1.35 0.02 0.00 0.00 175.26 175.59 1slj h PRO 51 N 8.39 0.00 0.00 0.39 0.11 -1.98 0.23 132.00 139.14 1slj h PRO 51 Ca -0.29 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.74 1slj h PRO 51 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1slj h PRO 51 CO 0.64 0.00 -0.39 0.77 -0.21 0.00 0.00 178.00 178.81 1slj h SER 52 N 0.00 0.00 -0.00 -2.05 0.02 -1.97 -3.31 113.55 106.24 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 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1slj h SER 52 CO 0.00 0.39 -0.01 0.00 -1.14 0.00 0.00 176.83 176.07 1slj n LEU 53 N -3.49 0.13 -3.33 5.07 -0.00 -0.26 -5.05 117.00 110.06 1slj n LEU 53 Ca 0.00 -0.55 -0.16 0.00 -0.00 0.00 0.00 56.01 55.29 1slj n LEU 53 Cb 0.54 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 44.03 1slj n LEU 53 CO 0.37 0.03 0.04 -0.62 -0.00 0.00 0.00 177.39 177.22 1slj n GLU 54 N -0.90 -3.40 -3.57 1.47 -0.58 0.64 -4.86 120.64 109.44 1slj n GLU 54 Ca 0.00 0.84 -0.07 0.00 -0.42 0.00 0.00 57.16 57.52 1slj n GLU 54 Cb 0.01 -5.76 -0.02 0.00 -0.57 0.00 0.00 31.44 25.10 1slj n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1slj s ALA 55 N -3.39 -1.82 0.01 0.62 0.00 -1.24 -0.26 121.76 115.66 1slj s ALA 55 Ca 0.33 0.86 0.05 0.00 0.00 0.00 0.00 51.96 53.19 1slj s ALA 55 Cb -0.05 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.48 1slj s ALA 55 CO 0.74 -0.77 -0.14 0.00 0.00 0.00 0.00 175.76 175.59 1slj s ALA 56 N -3.07 1.20 0.02 0.00 0.00 0.47 -2.84 121.76 117.54 1slj s ALA 56 Ca 0.07 -0.70 -0.12 0.00 0.00 0.00 0.00 51.96 51.22 1slj s ALA 56 Cb -0.01 -0.26 -0.06 0.00 0.00 0.00 0.00 23.12 22.79 1slj s ALA 56 CO -0.06 0.27 0.38 -0.06 0.00 0.00 0.00 175.76 176.29 1slj s PHE 57 N -0.51 3.66 -0.07 0.00 0.08 0.11 0.26 117.98 121.51 1slj s PHE 57 Ca 0.04 0.87 0.05 0.00 0.12 0.00 0.00 56.93 58.01 1slj s PHE 57 Cb -0.06 -2.20 -0.01 0.00 -0.57 0.00 0.00 43.02 40.18 1slj s PHE 57 CO 0.00 0.60 -0.24 0.08 -0.10 0.00 0.00 175.22 175.56 1slj s VAL 58 N -1.20 2.02 -0.51 -0.44 1.01 0.31 -0.09 120.40 121.49 1slj s VAL 58 Ca 0.27 -1.03 -0.12 0.00 0.00 0.00 0.00 61.98 61.10 1slj s VAL 58 Cb -0.15 -1.72 0.13 0.00 0.00 0.00 0.00 36.38 34.63 1slj s VAL 58 CO 0.14 0.56 0.43 -0.62 0.00 0.00 0.00 175.10 175.61 1slj s ASP 59 N 0.03 5.94 -0.54 3.32 2.15 -0.65 -0.83 116.67 126.09 1slj s ASP 59 Ca -0.09 -1.89 0.07 0.00 0.43 0.00 0.00 52.55 51.07 1slj s ASP 59 Cb -0.15 -2.10 0.28 0.00 -0.30 0.00 0.00 42.92 40.65 1slj s ASP 59 CO 0.05 -0.76 0.74 0.00 -0.17 0.00 0.00 175.17 175.03 1slj n TYR 60 N 5.02 2.45 -1.65 -5.34 4.11 -1.26 -4.01 117.16 116.48 1slj n TYR 60 Ca -0.10 -3.95 -0.16 0.00 -0.00 0.00 0.00 57.90 53.69 1slj n TYR 60 Cb 0.40 -0.48 -0.06 0.00 -0.00 0.00 0.00 39.34 39.21 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 0.66 1.12 3.58 -7.48 0.00 -1.26 -4.93 105.19 96.87 1slj n GLY 61 Ca 0.28 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.43 3.53 -1.63 4.61 0.00 -1.26 -4.94 121.76 119.64 1slj s ALA 62 Ca 0.00 -1.03 0.22 0.00 0.00 0.00 0.00 51.96 51.15 1slj s ALA 62 Cb 0.00 -2.68 1.16 0.00 0.00 0.00 0.00 23.12 21.60 1slj s ALA 62 CO 0.00 -0.76 1.69 0.39 0.00 0.00 0.00 175.76 177.07 1slj n GLU 63 N 5.27 0.44 -0.00 0.00 1.02 -1.26 -1.71 120.64 124.40 1slj n GLU 63 Ca -0.10 0.06 0.01 0.00 -0.02 0.00 0.00 57.16 57.11 1slj n GLU 63 Cb 0.51 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.41 1slj n GLU 63 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1slj n ARG 64 N -1.18 4.07 -1.40 3.49 5.12 -1.26 -5.12 116.66 120.38 1slj n ARG 64 Ca 0.12 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 56.03 1slj n ARG 64 Cb 0.14 -0.78 0.00 0.00 -1.16 0.00 0.00 32.46 30.65 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 -1.25 -3.86 -2.85 -1.55 8.25 -0.69 -4.68 115.22 108.59 1slj n HIS 65 Ca 0.00 2.06 -0.41 0.00 -0.26 0.00 0.00 57.72 59.11 1slj n HIS 65 Cb 0.06 -3.22 -0.04 0.00 1.12 0.00 0.00 29.99 27.91 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 -3.53 2.40 -0.34 -1.41 0.00 -0.01 -3.83 107.32 100.61 1slj s GLY 66 Ca 0.00 0.22 -0.08 0.00 0.00 0.00 0.00 44.72 44.85 1slj s GLY 66 CO 0.00 1.63 0.14 -0.12 0.00 0.00 0.00 173.10 174.75 1slj s PHE 67 N 1.65 3.22 -0.34 1.90 5.36 0.26 0.11 117.98 130.15 1slj s PHE 67 Ca 0.43 -1.11 -0.09 0.00 -0.96 0.00 0.00 56.93 55.20 1slj s PHE 67 Cb -0.18 -2.33 0.02 0.00 -0.34 0.00 0.00 43.02 40.19 1slj s PHE 67 CO 0.17 -0.65 0.14 -1.17 -1.46 0.00 0.00 175.22 172.26 1slj s LEU 68 N 1.49 4.36 0.43 6.12 0.20 0.14 -1.22 118.68 130.21 1slj s LEU 68 Ca 0.01 -0.94 -0.24 0.00 0.69 0.00 0.00 54.13 53.65 1slj s LEU 68 Cb -0.19 -1.94 -0.08 0.00 -0.43 0.00 0.00 46.19 43.55 1slj s LEU 68 CO 0.04 -0.31 1.19 -2.84 -0.29 0.00 0.00 176.35 174.14 1slj s PRO 69 N 1.50 3.88 0.28 0.98 0.02 -1.26 -0.40 135.00 139.99 1slj s PRO 69 Ca 0.01 1.86 -0.01 0.00 0.02 0.00 0.00 61.00 62.88 1slj s PRO 69 Cb -0.19 -2.55 0.45 0.00 0.02 0.00 0.00 34.50 32.23 1slj s PRO 69 CO 0.05 -0.48 1.88 1.25 -0.33 0.00 0.00 177.00 179.37 1slj h LEU 70 N 2.33 1.00 0.00 -5.54 5.85 -0.96 -1.58 115.31 116.41 1slj h LEU 70 Ca -0.49 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1slj h LEU 70 Cb 1.24 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1slj h LEU 70 CO 0.61 0.63 0.00 2.29 -0.34 0.00 0.00 178.44 181.63 1slj n LYS 71 N -4.51 0.01 0.05 1.25 2.85 -1.26 -0.92 118.16 115.63 1slj n LYS 71 Ca 0.15 0.30 0.07 0.00 -1.05 0.00 0.00 58.31 57.79 1slj n LYS 71 Cb 0.20 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.02 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 -1.49 0.63 -1.58 -1.58 -0.58 -0.60 -5.01 120.64 110.43 1slj n GLU 72 Ca 0.03 0.07 -0.48 0.00 -0.42 0.00 0.00 57.16 56.35 1slj n GLU 72 Cb 0.13 -1.74 -0.04 0.00 -0.57 0.00 0.00 31.44 29.22 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 -2.64 0.95 -3.41 -3.67 5.41 -0.10 -4.68 119.36 111.22 1slj n ILE 73 Ca -0.05 -0.24 -0.27 0.00 1.00 0.00 0.00 62.75 63.19 1slj n ILE 73 Cb 0.66 -0.88 -0.02 0.00 -0.71 0.00 0.00 39.64 38.69 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 -0.23 3.68 0.19 -1.39 0.00 -1.26 -4.93 121.76 117.82 1slj s ALA 74 Ca 0.72 -0.72 0.26 0.00 0.00 0.00 0.00 51.96 52.22 1slj s ALA 74 Cb -0.84 -2.18 1.41 0.00 0.00 0.00 0.00 23.12 21.51 1slj s ALA 74 CO 0.52 0.19 1.77 -0.09 0.00 0.00 0.00 175.76 178.16 1slj h ARG 75 N 1.44 0.00 0.00 0.00 9.65 -1.88 -0.32 114.38 123.28 1slj h ARG 75 Ca -0.48 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.37 1slj h ARG 75 Cb 1.20 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.78 1slj h ARG 75 CO 0.65 0.00 -0.12 1.49 2.80 0.00 0.00 179.97 184.79 1slj h GLU 76 N 0.00 0.00 0.00 0.20 4.57 -1.86 -3.16 114.58 114.33 1slj h GLU 76 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1slj h GLU 76 Cb 0.27 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1slj h GLU 76 CO 0.00 0.12 -0.29 1.88 -1.18 0.00 0.00 179.01 179.54 1slj h TYR 77 N 0.00 0.00 -3.07 0.92 0.05 -1.39 -3.39 116.97 110.10 1slj h TYR 77 Ca -0.00 0.00 -0.73 0.00 0.05 0.00 0.00 58.73 58.05 1slj h TYR 77 Cb 0.34 0.00 -0.22 0.00 1.01 0.00 0.00 36.73 37.86 1slj h TYR 77 CO 0.00 1.04 -0.10 -0.59 -1.05 0.00 0.00 178.16 177.46 1slj s PHE 78 N -2.21 3.15 0.24 4.88 -0.71 -1.23 -4.68 117.98 117.42 1slj s PHE 78 Ca -0.20 -1.07 -0.25 0.00 -1.04 0.00 0.00 56.93 54.37 1slj s PHE 78 Cb -0.01 -3.77 -0.16 0.00 -1.21 0.00 0.00 43.02 37.87 1slj s PHE 78 CO 0.62 -1.09 0.39 -0.35 -1.34 0.00 0.00 175.22 173.46 1slj n PRO 79 N 5.68 0.00 0.13 1.99 -0.04 -1.24 -4.63 135.00 136.90 1slj n PRO 79 Ca -0.12 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.40 1slj n PRO 79 Cb 0.42 -0.96 0.30 0.00 -0.04 0.00 0.00 33.50 33.22 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 -0.25 0.66 0.91 0.55 0.00 -1.19 0.11 120.51 121.29 1slj n ALA 80 Ca 0.16 0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.82 1slj n ALA 80 Cb 0.28 -0.80 0.35 0.00 0.00 0.00 0.00 19.45 19.28 1slj n ALA 80 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1slj n ASN 81 N -1.92 0.40 -4.81 0.00 4.13 -1.26 -4.86 115.26 106.94 1slj n ASN 81 Ca -0.01 0.07 -0.38 0.00 1.68 0.00 0.00 54.58 55.94 1slj n ASN 81 Cb 0.27 -0.04 -0.06 0.00 -1.54 0.00 0.00 39.78 38.41 1slj n ASN 81 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1slj s TYR 82 N -3.03 3.77 0.07 3.10 5.04 0.30 -5.02 117.35 121.57 1slj s TYR 82 Ca 0.11 1.17 -0.31 0.00 -2.44 0.00 0.00 57.07 55.60 1slj s TYR 82 Cb 0.17 -2.43 -0.08 0.00 0.35 0.00 0.00 41.96 39.97 1slj s TYR 82 CO 0.65 0.59 1.61 -1.12 -1.34 0.00 0.00 175.55 175.93 1slj s SER 83 N -1.02 6.64 -0.17 4.32 0.01 -1.26 -4.89 113.70 117.33 1slj s SER 83 Ca 0.27 2.44 -0.01 0.00 1.31 0.00 0.00 55.95 59.97 1slj s SER 83 Cb -0.18 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.52 1slj s SER 83 CO 0.17 -0.85 -0.04 0.00 0.41 0.00 0.00 173.24 172.93 1slj s ALA 84 N 2.46 1.39 -0.41 1.44 0.00 -1.26 -5.05 121.76 120.33 1slj s ALA 84 Ca 0.72 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.94 1slj s ALA 84 Cb -0.39 -1.12 0.19 0.00 0.00 0.00 0.00 23.12 21.81 1slj s ALA 84 CO 0.31 -0.83 0.39 0.72 0.00 0.00 0.00 175.76 176.36 1slj n HIS 85 N 4.90 -0.71 0.00 0.00 8.25 -1.26 -5.05 115.22 121.35 1slj n HIS 85 Ca -0.11 -3.39 0.00 0.00 -0.26 0.00 0.00 57.72 53.96 1slj n HIS 85 Cb 0.48 0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.67 1slj n HIS 85 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1slj n GLY 86 N 2.43 0.86 3.10 -1.41 0.00 -1.26 -5.01 105.19 103.90 1slj n GLY 86 Ca 0.27 -0.89 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 1slj n GLY 86 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1slj s ARG 87 N 0.00 2.75 1.10 1.61 6.06 -1.26 -5.13 118.95 124.08 1slj s ARG 87 Ca 0.00 -0.74 -0.12 0.00 -2.50 0.00 0.00 55.73 52.37 1slj s ARG 87 Cb 0.00 -2.36 0.25 0.00 0.06 0.00 0.00 34.95 32.90 1slj s ARG 87 CO 0.00 -0.16 1.04 -0.35 -2.50 0.00 0.00 175.30 173.33 1slj n PRO 88 N 4.50 -1.86 -4.00 5.12 -0.04 -1.26 -5.03 135.00 132.42 1slj n PRO 88 Ca -0.20 -0.50 -0.33 0.00 -0.04 0.00 0.00 63.50 62.43 1slj n PRO 88 Cb 0.50 -2.23 -0.14 0.00 -0.04 0.00 0.00 33.50 31.59 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 -2.47 4.68 0.33 3.54 6.03 -1.26 -4.91 114.94 120.88 1slj s ASN 89 Ca 0.68 -1.57 0.04 0.00 -1.03 0.00 0.00 52.86 50.98 1slj s ASN 89 Cb -0.25 -1.62 0.64 0.00 -3.03 0.00 0.00 41.25 36.99 1slj s ASN 89 CO 0.63 -0.27 1.92 -0.29 -2.03 0.00 0.00 177.10 177.06 1slj h ILE 90 N 6.64 1.01 -0.19 0.54 2.10 -1.92 0.69 117.51 126.38 1slj h ILE 90 Ca -0.16 -0.30 0.05 0.00 1.08 0.00 0.00 64.86 65.53 1slj h ILE 90 Cb 1.04 0.05 -0.01 0.00 -1.09 0.00 0.00 36.82 36.81 1slj h ILE 90 CO 0.51 0.16 0.24 0.07 -1.08 0.00 0.00 178.15 178.04 1slj h LYS 91 N 0.89 0.00 0.00 2.19 2.10 -1.93 0.50 116.57 120.32 1slj h LYS 91 Ca 0.38 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 59.02 1slj h LYS 91 Cb 0.31 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.63 1slj h LYS 91 CO -0.15 0.00 -0.18 -3.47 -2.00 0.00 0.00 179.45 173.66 1slj n ASP 92 N -3.66 1.71 -0.02 7.07 2.03 0.14 -4.74 116.55 119.08 1slj n ASP 92 Ca 0.02 -2.86 -0.04 0.00 0.52 0.00 0.00 54.79 52.43 1slj n ASP 92 Cb 0.36 -0.38 -0.01 0.00 -0.72 0.00 0.00 41.12 40.36 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 -1.03 0.22 -4.00 5.18 0.31 -0.29 -4.94 118.33 113.79 1slj n VAL 93 Ca 0.12 -0.06 -0.29 0.00 -0.01 0.00 0.00 64.34 64.10 1slj n VAL 93 Cb 0.67 -1.43 -0.05 0.00 -0.91 0.00 0.00 33.84 32.12 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 -6.09 4.04 -0.09 7.52 1.43 0.01 -4.06 118.68 121.44 1slj s LEU 94 Ca -0.06 0.08 -0.08 0.00 -1.03 0.00 0.00 54.13 53.04 1slj s LEU 94 Cb 0.02 -2.67 0.03 0.00 0.03 0.00 0.00 46.19 43.60 1slj s LEU 94 CO 0.07 0.14 0.25 0.00 0.23 0.00 0.00 176.35 177.04 1slj s ARG 95 N -2.64 0.28 -0.08 1.70 3.03 -1.26 -4.72 118.95 115.26 1slj s ARG 95 Ca 0.32 0.36 -0.35 0.00 2.03 0.00 0.00 55.73 58.09 1slj s ARG 95 Cb -0.12 0.11 -0.13 0.00 -1.03 0.00 0.00 34.95 33.79 1slj s ARG 95 CO 0.25 -0.05 1.82 0.39 -1.13 0.00 0.00 175.30 176.58 1slj n GLU 96 N 3.10 2.04 0.00 3.89 1.02 -1.26 -0.65 120.64 128.77 1slj n GLU 96 Ca -0.14 0.74 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 1slj n GLU 96 Cb 0.58 -2.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.44 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 4.24 0.83 3.71 0.62 0.00 -0.60 -4.94 105.19 109.05 1slj n GLY 97 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.44 4.34 0.47 1.61 0.74 0.17 -4.83 119.66 121.72 1slj s GLN 98 Ca 0.00 0.55 -0.10 0.00 0.05 0.00 0.00 55.36 55.87 1slj s GLN 98 Cb 0.00 -3.46 -0.05 0.00 1.10 0.00 0.00 33.01 30.60 1slj s GLN 98 CO 0.00 0.08 0.84 -1.83 -0.55 0.00 0.00 175.29 173.83 1slj s GLU 99 N 0.84 3.70 0.04 1.67 -1.05 -1.26 -0.18 118.70 122.47 1slj s GLU 99 Ca 0.28 0.48 -0.00 0.00 -0.15 0.00 0.00 54.97 55.59 1slj s GLU 99 Cb -0.16 -2.31 -0.03 0.00 -0.44 0.00 0.00 34.13 31.19 1slj s GLU 99 CO 0.12 -0.19 -0.04 0.14 0.95 0.00 0.00 175.26 176.24 1slj s VAL 100 N -2.63 0.25 -0.39 1.83 -7.23 0.88 -4.92 120.40 108.19 1slj s VAL 100 Ca 0.51 -1.47 -0.12 0.00 -1.81 0.00 0.00 61.98 59.09 1slj s VAL 100 Cb -0.10 -1.05 0.02 0.00 0.56 0.00 0.00 36.38 35.81 1slj s VAL 100 CO 0.39 -0.78 0.24 -0.63 -0.31 0.00 0.00 175.10 174.01 1slj s ILE 101 N -2.89 4.85 -0.03 -0.62 -1.09 -1.26 -2.65 121.20 117.52 1slj s ILE 101 Ca -0.01 -0.76 -0.11 0.00 -2.23 0.00 0.00 60.65 57.54 1slj s ILE 101 Cb 0.00 -3.70 0.02 0.00 -1.58 0.00 0.00 42.46 37.20 1slj s ILE 101 CO -0.06 -0.25 0.24 0.68 -1.23 0.00 0.00 174.94 174.32 1slj s VAL 102 N 1.61 0.05 0.17 2.92 -7.23 0.19 -4.84 120.40 113.28 1slj s VAL 102 Ca 0.03 -0.44 0.07 0.00 -1.81 0.00 0.00 61.98 59.83 1slj s VAL 102 Cb -0.19 -0.49 -0.04 0.00 0.56 0.00 0.00 36.38 36.21 1slj s VAL 102 CO 0.08 -0.24 -0.14 0.00 -0.31 0.00 0.00 175.10 174.49 1slj s GLN 103 N -0.99 1.21 -0.47 4.82 -2.07 -1.26 0.98 119.66 121.87 1slj s GLN 103 Ca -0.11 -1.48 -0.26 0.00 -1.82 0.00 0.00 55.36 51.69 1slj s GLN 103 Cb -0.05 -0.99 0.03 0.00 -1.09 0.00 0.00 33.01 30.91 1slj s GLN 103 CO 0.02 0.16 0.98 0.42 -1.32 0.00 0.00 175.29 175.56 1slj s ILE 104 N -2.84 4.40 -0.06 3.63 -1.09 -1.26 -1.13 121.20 122.84 1slj s ILE 104 Ca 0.18 0.82 -0.12 0.00 -2.23 0.00 0.00 60.65 59.30 1slj s ILE 104 Cb -0.01 -4.49 -0.30 0.00 -1.58 0.00 0.00 42.46 36.08 1slj s ILE 104 CO 0.05 -0.91 0.65 -0.78 -1.23 0.00 0.00 174.94 172.72 1slj h ASP 105 N 9.14 0.57 -3.35 3.58 1.82 -1.49 -3.45 116.42 123.25 1slj h ASP 105 Ca -0.24 -0.92 -0.65 0.00 -0.39 0.00 0.00 57.03 54.83 1slj h ASP 105 Cb 1.07 -0.19 -0.25 0.00 0.68 0.00 0.00 39.33 40.64 1slj h ASP 105 CO 1.06 1.75 -0.72 -0.54 -1.61 0.00 0.00 179.24 179.18 1slj s LYS 106 N -2.55 3.48 0.48 0.28 3.01 -1.23 -5.03 119.74 118.18 1slj s LYS 106 Ca -0.17 -0.61 -0.08 0.00 -1.01 0.00 0.00 55.97 54.11 1slj s LYS 106 Cb 0.05 -2.88 -0.05 0.00 -1.01 0.00 0.00 37.83 33.95 1slj s LYS 106 CO 0.84 0.06 0.82 -1.21 0.51 0.00 0.00 175.35 176.37 1slj s GLU 107 N 0.79 3.63 0.16 1.68 2.02 -1.26 -1.56 118.70 124.16 1slj s GLU 107 Ca -0.02 0.38 -0.31 0.00 0.02 0.00 0.00 54.97 55.04 1slj s GLU 107 Cb -0.15 -2.33 -0.09 0.00 0.10 0.00 0.00 34.13 31.66 1slj s GLU 107 CO 0.02 -0.22 1.45 -2.00 0.02 0.00 0.00 175.26 174.53 1slj s GLU 108 N -4.54 4.28 0.00 1.61 -6.30 -0.99 -4.24 118.70 108.52 1slj s GLU 108 Ca 0.50 2.20 0.00 0.00 -2.50 0.00 0.00 54.97 55.17 1slj s GLU 108 Cb -0.10 -3.19 0.00 0.00 0.00 0.00 0.00 34.13 30.83 1slj s GLU 108 CO 0.42 -0.48 0.50 2.89 0.02 0.00 0.00 175.26 178.62 1slj n ARG 109 N 3.62 0.00 -0.64 4.30 1.85 -1.26 -4.93 116.66 119.60 1slj n ARG 109 Ca 0.11 -0.48 0.00 0.00 -1.00 0.00 0.00 57.85 56.48 1slj n ARG 109 Cb 0.41 -0.40 0.00 0.00 -1.05 0.00 0.00 32.46 31.42 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 0.00 0.81 0.00 2.89 0.00 -1.26 -4.82 105.19 102.81 1slj n GLY 110 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1slj n GLY 110 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1slj n ASN 111 N 0.00 2.32 0.00 1.61 2.85 -1.26 -4.93 115.26 115.85 1slj n ASN 111 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1slj n ASN 111 Cb 0.00 0.21 0.00 0.00 1.24 0.00 0.00 39.78 41.23 1slj n ASN 111 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1slj n LYS 112 N -1.29 0.48 0.00 1.20 3.00 -1.26 -5.12 118.16 115.16 1slj n LYS 112 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1slj n LYS 112 Cb 0.24 -0.99 0.00 0.00 0.00 0.00 0.00 35.03 34.27 1slj n LYS 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1slj n GLY 113 N 3.41 -1.75 3.51 3.14 0.00 -1.26 -4.61 105.19 107.64 1slj n GLY 113 Ca 0.00 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.97 2.98 -0.13 4.61 0.00 -1.25 -2.35 121.76 123.65 1slj s ALA 114 Ca 0.00 -2.46 -0.24 0.00 0.00 0.00 0.00 51.96 49.26 1slj s ALA 114 Cb 0.00 -4.33 -0.02 0.00 0.00 0.00 0.00 23.12 18.77 1slj s ALA 114 CO 0.00 -3.35 0.76 0.00 0.00 0.00 0.00 175.76 173.17 1slj s ALA 115 N 4.04 3.44 -0.02 0.00 0.00 -0.60 0.92 121.76 129.54 1slj s ALA 115 Ca 0.40 0.04 -0.19 0.00 0.00 0.00 0.00 51.96 52.22 1slj s ALA 115 Cb -0.02 -3.10 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 1slj s ALA 115 CO -0.09 -0.43 0.54 -0.51 0.00 0.00 0.00 175.76 175.26 1slj s LEU 116 N 1.61 4.41 0.56 0.00 1.43 -0.35 -1.23 118.68 125.10 1slj s LEU 116 Ca 0.37 1.07 0.03 0.00 -1.03 0.00 0.00 54.13 54.57 1slj s LEU 116 Cb -0.17 -2.82 0.05 0.00 0.03 0.00 0.00 46.19 43.29 1slj s LEU 116 CO 0.15 0.14 0.77 0.28 0.23 0.00 0.00 176.35 177.92 1slj s THR 117 N -0.29 2.58 -0.07 5.49 -1.32 -0.29 -4.62 115.64 117.13 1slj s THR 117 Ca 0.28 -0.77 0.11 0.00 -1.21 0.00 0.00 61.69 60.11 1slj s THR 117 Cb -0.17 -2.81 0.17 0.00 -1.51 0.00 0.00 72.50 68.17 1slj s THR 117 CO 0.15 0.00 1.06 0.35 -2.21 0.00 0.00 174.62 173.98 1slj n THR 118 N -2.31 1.17 -0.89 5.08 -2.24 -1.26 -4.38 114.28 109.44 1slj n THR 118 Ca 0.10 -1.39 -0.10 0.00 -2.27 0.00 0.00 64.05 60.40 1slj n THR 118 Cb 0.60 0.10 -0.11 0.00 -2.10 0.00 0.00 70.33 68.82 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 -0.87 0.16 -4.46 4.78 7.35 -1.26 -4.80 117.46 118.36 1slj n PHE 119 Ca 0.09 -1.41 -0.22 0.00 -0.76 0.00 0.00 57.45 55.15 1slj n PHE 119 Cb 0.61 -1.26 -0.11 0.00 0.35 0.00 0.00 39.48 39.08 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 0.39 1.25 -0.98 -2.13 1.09 -1.26 -5.04 121.20 114.52 1slj s ILE 120 Ca 0.47 -2.00 -0.21 0.00 -1.10 0.00 0.00 60.65 57.81 1slj s ILE 120 Cb 0.23 -2.81 -0.10 0.00 -1.06 0.00 0.00 42.46 38.72 1slj s ILE 120 CO -0.02 0.00 1.96 -1.20 -0.10 0.00 0.00 174.94 175.59 1slj n SER 121 N -0.71 2.97 -4.72 3.58 7.64 -1.26 -4.86 113.62 116.25 1slj n SER 121 Ca -0.02 -2.72 -0.27 0.00 1.01 0.00 0.00 58.87 56.87 1slj n SER 121 Cb 0.67 -1.35 -0.08 0.00 -1.01 0.00 0.00 64.21 62.44 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 3.27 2.91 -0.16 -3.43 1.43 -1.26 -4.93 118.68 116.50 1slj s LEU 122 Ca 0.58 -1.25 -0.06 0.00 -1.03 0.00 0.00 54.13 52.36 1slj s LEU 122 Cb 0.11 -1.17 0.01 0.00 0.03 0.00 0.00 46.19 45.17 1slj s LEU 122 CO 0.09 -0.60 0.22 0.00 0.23 0.00 0.00 176.35 176.29 1slj n ALA 123 N -1.20 -3.02 -0.85 4.21 0.00 -1.26 -4.78 120.51 113.61 1slj n ALA 123 Ca -0.05 0.45 -0.10 0.00 0.00 0.00 0.00 53.44 53.74 1slj n ALA 123 Cb 0.66 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.39 2.73 0.39 0.00 0.00 -1.26 -4.76 105.19 101.90 1slj n GLY 124 Ca 0.04 -1.00 0.05 0.00 0.00 0.00 0.00 46.02 45.12 1slj n GLY 124 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18