#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjq n GLY 13 N 0.00 -1.58 3.72 0.46 0.00 -1.26 -4.82 105.19 101.71 1sjq n GLY 13 Ca 0.00 0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1sjq n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sjq s VAL 14 N -1.12 2.55 0.06 1.61 1.01 -1.26 -4.94 120.40 118.31 1sjq s VAL 14 Ca -0.01 0.40 -0.18 0.00 0.00 0.00 0.00 61.98 62.18 1sjq s VAL 14 Cb 0.00 -3.25 -0.07 0.00 0.00 0.00 0.00 36.38 33.05 1sjq s VAL 14 CO 0.28 0.03 1.30 -0.65 0.00 0.00 0.00 175.10 176.06 1sjq h PRO 15 N 6.73 -0.33 0.00 2.72 0.11 -1.96 -3.48 132.00 135.79 1sjq h PRO 15 Ca -0.43 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1sjq h PRO 15 Cb 1.20 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1sjq h PRO 15 CO 0.91 -0.22 0.00 0.43 -0.21 0.00 0.00 178.00 178.91 1sjq n SER 16 N -4.09 0.00 0.19 -2.05 7.64 -1.26 -4.98 113.62 109.07 1sjq n SER 16 Ca -0.04 0.00 0.14 0.00 1.01 0.00 0.00 58.87 59.98 1sjq n SER 16 Cb 0.21 0.00 0.53 0.00 -1.01 0.00 0.00 64.21 63.93 1sjq n SER 16 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 1sjq h ARG 17 N 0.00 0.00 -6.34 1.43 0.11 -1.91 -3.41 114.38 104.26 1sjq h ARG 17 Ca 0.00 0.00 -0.56 0.00 0.10 0.00 0.00 59.98 59.52 1sjq h ARG 17 Cb 0.00 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.04 1sjq h ARG 17 CO 0.00 0.00 0.02 0.08 0.10 0.00 0.00 179.97 180.17 1sjq s VAL 18 N -3.41 4.65 -0.24 0.08 1.01 -1.26 -0.04 120.40 121.21 1sjq s VAL 18 Ca 0.04 1.29 0.00 0.00 0.00 0.00 0.00 61.98 63.32 1sjq s VAL 18 Cb 0.09 -3.93 0.06 0.00 0.00 0.00 0.00 36.38 32.60 1sjq s VAL 18 CO 0.49 0.49 -0.03 -0.63 0.00 0.00 0.00 175.10 175.42 1sjq s ILE 19 N -1.19 1.38 -0.45 2.22 -1.09 -0.45 -3.26 121.20 118.35 1sjq s ILE 19 Ca 0.33 -1.17 -0.29 0.00 -2.23 0.00 0.00 60.65 57.29 1sjq s ILE 19 Cb -0.20 -1.71 0.02 0.00 -1.58 0.00 0.00 42.46 39.00 1sjq s ILE 19 CO 0.21 -0.16 1.19 -2.28 -1.23 0.00 0.00 174.94 172.67 1sjq s HIS 20 N 1.46 2.75 -0.02 3.97 2.46 0.54 -2.98 115.29 123.47 1sjq s HIS 20 Ca -0.04 0.74 -0.27 0.00 0.47 0.00 0.00 55.06 55.96 1sjq s HIS 20 Cb -0.19 -4.36 -0.04 0.00 -0.13 0.00 0.00 32.58 27.87 1sjq s HIS 20 CO -0.07 -1.39 0.85 0.42 -2.47 0.00 0.00 174.74 172.08 1sjq s ILE 21 N 4.60 4.92 0.52 0.89 1.01 -0.36 -0.24 121.20 132.54 1sjq s ILE 21 Ca 0.51 1.79 0.05 0.00 0.00 0.00 0.00 60.65 62.99 1sjq s ILE 21 Cb -0.09 -4.20 0.01 0.00 0.01 0.00 0.00 42.46 38.20 1sjq s ILE 21 CO 0.31 0.21 0.29 0.00 0.00 0.00 0.00 174.94 175.75 1sjq s ARG 22 N 0.82 2.25 -0.50 2.79 1.70 0.20 -2.45 118.95 123.75 1sjq s ARG 22 Ca 0.45 -2.07 -0.02 0.00 -0.47 0.00 0.00 55.73 53.63 1sjq s ARG 22 Cb -0.20 -1.97 0.02 0.00 -0.57 0.00 0.00 34.95 32.23 1sjq s ARG 22 CO 0.24 -0.49 0.07 1.17 -1.08 0.00 0.00 175.30 175.21 1sjq n LYS 23 N -1.59 -2.68 -4.01 3.89 0.00 -1.26 -1.00 118.16 111.51 1sjq n LYS 23 Ca -0.05 0.22 -0.33 0.00 0.00 0.00 0.00 58.31 58.14 1sjq n LYS 23 Cb 0.65 -4.77 -0.15 0.00 0.00 0.00 0.00 35.03 30.76 1sjq n LYS 23 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1sjq s LEU 24 N -5.41 3.28 -0.33 3.14 2.96 -1.12 -3.73 118.68 117.47 1sjq s LEU 24 Ca 0.07 -1.12 -0.26 0.00 -0.22 0.00 0.00 54.13 52.60 1sjq s LEU 24 Cb -0.04 -1.60 -0.27 0.00 0.50 0.00 0.00 46.19 44.77 1sjq s LEU 24 CO 0.09 -0.16 1.72 -2.65 -1.32 0.00 0.00 176.35 174.03 1sjq n PRO 25 N 4.56 0.65 -0.93 0.98 -0.02 -1.26 -3.61 135.00 135.37 1sjq n PRO 25 Ca -0.15 -1.34 -0.43 0.00 -2.02 0.00 0.00 63.50 59.56 1sjq n PRO 25 Cb 0.45 -2.65 -0.08 0.00 -0.02 0.00 0.00 33.50 31.19 1sjq n PRO 25 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1sjq n ILE 26 N 6.49 0.00 0.00 4.25 2.08 -1.26 -2.87 119.36 128.05 1sjq n ILE 26 Ca 0.47 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.78 1sjq n ILE 26 Cb 0.40 -0.35 0.00 0.00 -0.75 0.00 0.00 39.64 38.94 1sjq n ILE 26 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1sjq n ASP 27 N 4.85 0.00 -3.53 4.38 2.03 -1.26 -4.78 116.55 118.24 1sjq n ASP 27 Ca 0.36 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.67 1sjq n ASP 27 Cb -0.03 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 1sjq n ASP 27 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1sjq n VAL 28 N 0.00 0.00 -3.83 5.18 3.14 -1.14 -4.96 118.33 116.73 1sjq n VAL 28 Ca 0.00 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.03 1sjq n VAL 28 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.73 1sjq n VAL 28 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1sjq s THR 29 N 0.00 5.38 -0.05 1.55 -4.23 -1.26 -5.02 115.64 112.01 1sjq s THR 29 Ca 0.00 0.08 -0.25 0.00 -1.18 0.00 0.00 61.69 60.34 1sjq s THR 29 Cb 0.00 -3.53 -0.22 0.00 1.34 0.00 0.00 72.50 70.09 1sjq s THR 29 CO 0.00 0.40 1.07 -0.33 -0.54 0.00 0.00 174.62 175.22 1sjq h GLU 30 N 4.13 0.13 -1.81 3.99 3.07 -1.99 -3.11 114.58 118.98 1sjq h GLU 30 Ca -0.51 -0.12 0.54 0.00 -0.50 0.00 0.00 59.36 58.77 1sjq h GLU 30 Cb 1.20 0.03 -0.09 0.00 -0.84 0.00 0.00 28.75 29.05 1sjq h GLU 30 CO 0.65 0.83 1.28 0.78 -1.40 0.00 0.00 179.01 181.15 1sjq h GLY 31 N -0.53 0.32 0.04 -3.84 0.00 -1.98 0.66 103.07 97.74 1sjq h GLY 31 Ca -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 1sjq h GLY 31 CO 0.03 -0.11 -0.00 -2.09 0.00 0.00 0.00 176.54 174.37 1sjq h GLU 32 N 0.01 -0.01 -0.11 4.80 4.81 -1.97 -0.72 114.58 121.39 1sjq h GLU 32 Ca 0.91 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 60.17 1sjq h GLU 32 Cb 3.49 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 32.84 1sjq h GLU 32 CO -0.11 0.77 -0.10 0.28 -0.73 0.00 0.00 179.01 179.12 1sjq h VAL 33 N -0.97 0.72 0.03 0.32 2.07 0.17 -1.33 116.25 117.26 1sjq h VAL 33 Ca -0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1sjq h VAL 33 Cb 0.79 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1sjq h VAL 33 CO 0.00 0.00 -0.01 0.40 0.02 0.00 0.00 177.57 177.98 1sjq h ILE 34 N -0.12 1.21 -0.99 4.57 5.03 -0.61 -2.94 117.51 123.66 1sjq h ILE 34 Ca 0.08 -0.75 0.31 0.00 -0.12 0.00 0.00 64.86 64.38 1sjq h ILE 34 Cb 0.23 1.71 -0.15 0.00 -3.03 0.00 0.00 36.82 35.58 1sjq h ILE 34 CO -0.18 0.19 0.53 -1.28 -0.68 0.00 0.00 178.15 176.73 1sjq h SER 35 N -0.36 0.45 -0.64 1.72 0.87 -0.92 0.99 113.55 115.66 1sjq h SER 35 Ca -0.00 0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.71 1sjq h SER 35 Cb 0.34 0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.43 1sjq h SER 35 CO 0.01 -0.14 0.25 -0.07 -0.53 0.00 0.00 176.83 176.35 1sjq h LEU 36 N 0.31 0.89 -0.02 2.23 3.38 -1.07 -2.19 115.31 118.83 1sjq h LEU 36 Ca 0.71 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.51 1sjq h LEU 36 Cb 1.61 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1sjq h LEU 36 CO -0.62 0.82 -0.09 0.61 0.09 0.00 0.00 178.44 179.25 1sjq n GLY 37 N -0.83 -1.38 0.51 0.83 0.00 0.29 -4.07 105.19 100.54 1sjq n GLY 37 Ca 0.04 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 1sjq n GLY 37 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1sjq h LEU 38 N 0.05 -1.40 -2.30 0.99 5.85 0.74 -1.32 115.31 117.92 1sjq h LEU 38 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1sjq h LEU 38 Cb 0.46 0.46 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1sjq h LEU 38 CO 0.00 -0.68 0.00 1.55 -0.34 0.00 0.00 178.44 178.97 1sjq h PRO 39 N -1.03 0.00 0.00 5.25 0.13 -1.71 0.28 132.00 134.93 1sjq h PRO 39 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1sjq h PRO 39 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1sjq h PRO 39 CO -0.06 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 178.90 1sjq n PHE 40 N -2.74 0.00 0.00 1.56 3.01 -0.51 -4.97 117.46 113.81 1sjq n PHE 40 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1sjq n PHE 40 Cb 0.06 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.25 1sjq n PHE 40 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sjq n GLY 41 N 0.90 0.73 3.26 1.37 0.00 0.09 -3.80 105.19 107.74 1sjq n GLY 41 Ca 0.12 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 1sjq n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sjq s LYS 42 N 0.00 0.43 -0.25 1.61 -0.14 -1.26 -4.82 119.74 115.31 1sjq s LYS 42 Ca 0.00 0.55 -0.21 0.00 -1.36 0.00 0.00 55.97 54.95 1sjq s LYS 42 Cb 0.00 0.19 -0.02 0.00 -1.68 0.00 0.00 37.83 36.32 1sjq s LYS 42 CO 0.00 -0.06 0.65 0.08 -0.76 0.00 0.00 175.35 175.25 1sjq s VAL 43 N 0.33 4.97 -0.83 3.17 1.01 -1.26 -2.87 120.40 124.93 1sjq s VAL 43 Ca -0.01 1.17 0.23 0.00 0.00 0.00 0.00 61.98 63.37 1sjq s VAL 43 Cb -0.03 -3.95 -0.13 0.00 0.00 0.00 0.00 36.38 32.27 1sjq s VAL 43 CO -0.01 0.02 1.07 0.35 0.00 0.00 0.00 175.10 176.54 1sjq n THR 44 N 5.17 0.06 0.00 3.92 -2.24 0.75 -4.92 114.28 117.02 1sjq n THR 44 Ca -0.00 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1sjq n THR 44 Cb 0.49 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 1sjq n THR 44 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1sjq n ASN 45 N -1.69 0.00 -3.70 3.42 5.15 -1.21 -4.86 115.26 112.37 1sjq n ASN 45 Ca 0.03 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.87 1sjq n ASN 45 Cb 0.38 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.48 1sjq n ASN 45 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1sjq s LEU 46 N 0.00 0.23 -0.09 1.20 1.98 -1.26 0.66 118.68 121.40 1sjq s LEU 46 Ca 0.00 0.40 0.00 0.00 -2.89 0.00 0.00 54.13 51.64 1sjq s LEU 46 Cb 0.00 0.46 0.02 0.00 0.66 0.00 0.00 46.19 47.33 1sjq s LEU 46 CO 0.00 -0.20 -0.06 -0.22 -1.89 0.00 0.00 176.35 173.98 1sjq s LEU 47 N 1.77 1.16 -0.45 -0.68 0.20 0.34 -4.98 118.68 116.04 1sjq s LEU 47 Ca -0.03 -0.23 -0.23 0.00 0.69 0.00 0.00 54.13 54.33 1sjq s LEU 47 Cb -0.12 -0.70 0.03 0.00 -0.43 0.00 0.00 46.19 44.97 1sjq s LEU 47 CO -0.07 -0.10 0.76 -0.04 -0.29 0.00 0.00 176.35 176.61 1sjq s MET 48 N 1.47 3.37 -0.48 1.98 -1.94 -1.26 -1.04 119.30 121.40 1sjq s MET 48 Ca -0.01 -0.18 -0.26 0.00 -1.71 0.00 0.00 55.69 53.53 1sjq s MET 48 Cb -0.13 -3.95 0.03 0.00 2.01 0.00 0.00 34.83 32.79 1sjq s MET 48 CO -0.04 -1.11 0.97 -1.17 -0.01 0.00 0.00 175.02 173.66 1sjq s LEU 49 N 3.20 3.93 -0.26 -0.03 2.96 -0.13 -4.92 118.68 123.44 1sjq s LEU 49 Ca 0.28 0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 54.29 1sjq s LEU 49 Cb -0.13 -3.22 0.05 0.00 0.50 0.00 0.00 46.19 43.40 1sjq s LEU 49 CO 0.22 -1.12 2.52 0.29 -1.32 0.00 0.00 176.35 176.93 1sjq n LYS 50 N 7.37 1.90 -0.03 1.98 4.76 -1.26 -3.01 118.16 129.86 1sjq n LYS 50 Ca 0.07 -1.47 -0.04 0.00 -2.87 0.00 0.00 58.31 53.99 1sjq n LYS 50 Cb 0.49 -1.75 -0.02 0.00 -1.84 0.00 0.00 35.03 31.90 1sjq n LYS 50 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sjq n GLY 51 N 1.04 -0.08 1.24 0.72 0.00 -1.26 -4.84 105.19 102.01 1sjq n GLY 51 Ca 0.33 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.36 1sjq n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1sjq n LYS 52 N -2.81 0.14 -3.54 1.61 0.00 -1.26 -5.00 118.16 107.31 1sjq n LYS 52 Ca -0.10 -1.94 -0.19 0.00 0.00 0.00 0.00 58.31 56.08 1sjq n LYS 52 Cb 0.60 -0.23 0.07 0.00 0.00 0.00 0.00 35.03 35.46 1sjq n LYS 52 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1sjq n ASN 53 N 0.26 -2.07 -3.99 3.14 5.03 -1.24 -4.89 115.26 111.49 1sjq n ASN 53 Ca 0.06 -0.68 -0.17 0.00 0.87 0.00 0.00 54.58 54.66 1sjq n ASN 53 Cb 1.03 -4.76 -0.15 0.00 -1.02 0.00 0.00 39.78 34.89 1sjq n ASN 53 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1sjq s GLN 54 N -5.64 0.59 0.45 3.52 -0.21 -1.17 -2.79 119.66 114.42 1sjq s GLN 54 Ca 0.05 -0.27 0.07 0.00 0.02 0.00 0.00 55.36 55.23 1sjq s GLN 54 Cb -0.02 -0.57 -0.01 0.00 1.00 0.00 0.00 33.01 33.40 1sjq s GLN 54 CO 0.76 0.16 0.33 0.00 -2.12 0.00 0.00 175.29 174.41 1sjq s ALA 55 N -0.18 4.03 -0.18 6.09 0.00 -1.03 -0.96 121.76 129.53 1sjq s ALA 55 Ca 0.03 -1.77 -0.04 0.00 0.00 0.00 0.00 51.96 50.18 1sjq s ALA 55 Cb -0.03 -0.74 0.09 0.00 0.00 0.00 0.00 23.12 22.44 1sjq s ALA 55 CO -0.00 -0.27 0.30 -0.06 0.00 0.00 0.00 175.76 175.72 1sjq s PHE 56 N -2.60 -0.52 0.19 0.00 0.40 -0.21 -1.22 117.98 114.03 1sjq s PHE 56 Ca 0.42 0.84 0.09 0.00 -0.60 0.00 0.00 56.93 57.68 1sjq s PHE 56 Cb -0.01 -0.06 -0.04 0.00 0.51 0.00 0.00 43.02 43.42 1sjq s PHE 56 CO 0.24 -0.50 -0.09 0.96 0.70 0.00 0.00 175.22 176.53 1sjq s ILE 57 N 2.45 3.20 -0.16 0.64 -4.36 -1.16 -0.50 121.20 121.30 1sjq s ILE 57 Ca 0.04 -1.70 0.01 0.00 -0.26 0.00 0.00 60.65 58.74 1sjq s ILE 57 Cb -0.14 -2.60 0.01 0.00 1.25 0.00 0.00 42.46 40.98 1sjq s ILE 57 CO -0.11 -0.14 -0.18 -1.61 0.24 0.00 0.00 174.94 173.13 1sjq s GLU 58 N -2.93 3.09 -0.10 0.37 0.41 0.21 -1.35 118.70 118.40 1sjq s GLU 58 Ca 0.26 -0.80 -0.15 0.00 -0.41 0.00 0.00 54.97 53.87 1sjq s GLU 58 Cb -0.08 -2.58 -0.05 0.00 -1.78 0.00 0.00 34.13 29.64 1sjq s GLU 58 CO 0.16 -0.09 0.37 -1.64 -0.49 0.00 0.00 175.26 173.57 1sjq s MET 59 N 1.04 4.14 0.41 1.61 -1.94 0.95 0.27 119.30 125.78 1sjq s MET 59 Ca -0.01 0.28 0.22 0.00 -1.71 0.00 0.00 55.69 54.47 1sjq s MET 59 Cb -0.14 -3.36 0.82 0.00 2.01 0.00 0.00 34.83 34.16 1sjq s MET 59 CO -0.05 0.38 1.79 -0.91 -0.01 0.00 0.00 175.02 176.21 1sjq h ASN 60 N 6.03 0.00 -3.36 3.03 2.35 -1.86 -3.43 115.58 118.34 1sjq h ASN 60 Ca -0.45 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 54.72 1sjq h ASN 60 Cb 1.19 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 39.22 1sjq h ASN 60 CO 0.71 0.28 -0.84 0.28 -1.65 0.00 0.00 177.43 176.21 1sjq s THR 61 N -3.64 1.53 0.37 2.81 -1.32 -1.26 -5.01 115.64 109.12 1sjq s THR 61 Ca 0.00 -0.70 0.19 0.00 -1.21 0.00 0.00 61.69 59.97 1sjq s THR 61 Cb 0.11 -1.36 0.37 0.00 -1.51 0.00 0.00 72.50 70.11 1sjq s THR 61 CO 0.66 0.44 1.67 -0.33 -2.21 0.00 0.00 174.62 174.85 1sjq h GLU 62 N 6.98 0.27 -0.06 7.08 3.07 -1.95 1.51 114.58 131.46 1sjq h GLU 62 Ca -0.27 -0.02 0.02 0.00 -0.50 0.00 0.00 59.36 58.59 1sjq h GLU 62 Cb 1.20 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 29.05 1sjq h GLU 62 CO 0.48 0.18 0.06 0.93 -1.40 0.00 0.00 179.01 179.26 1sjq h GLU 63 N 0.27 0.00 0.02 2.33 5.08 -1.95 -1.83 114.58 118.51 1sjq h GLU 63 Ca 0.74 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 59.10 1sjq h GLU 63 Cb 1.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.11 1sjq h GLU 63 CO -0.52 0.00 -0.01 0.00 -1.00 0.00 0.00 179.01 177.48 1sjq h ALA 64 N 1.93 -0.03 0.42 3.43 0.00 0.20 -2.97 119.26 122.25 1sjq h ALA 64 Ca 0.03 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1sjq h ALA 64 Cb 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1sjq h ALA 64 CO -0.00 -0.11 -0.30 0.00 0.00 0.00 0.00 179.25 178.84 1sjq h ALA 65 N 0.01 -1.09 -0.52 0.00 0.00 -1.28 -1.33 119.26 115.06 1sjq h ALA 65 Ca -0.00 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.82 1sjq h ALA 65 Cb 0.73 0.45 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 1sjq h ALA 65 CO 0.01 -1.07 -0.56 -0.91 0.00 0.00 0.00 179.25 176.71 1sjq h ASN 66 N -0.69 -1.92 -1.08 0.00 2.35 -1.52 0.41 115.58 113.13 1sjq h ASN 66 Ca -0.06 0.26 0.29 0.00 -0.55 0.00 0.00 56.30 56.25 1sjq h ASN 66 Cb 0.56 0.80 -0.09 0.00 0.05 0.00 0.00 38.32 39.64 1sjq h ASN 66 CO 0.03 -0.37 0.70 0.74 -1.65 0.00 0.00 177.43 176.89 1sjq h THR 67 N -0.32 0.46 0.13 2.81 2.02 -1.49 0.33 112.91 116.85 1sjq h THR 67 Ca 0.09 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.16 1sjq h THR 67 Cb 0.56 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1sjq h THR 67 CO -0.66 0.06 -0.41 -0.03 0.37 0.00 0.00 175.52 174.85 1sjq h MET 68 N 0.32 -0.59 0.00 6.66 1.85 0.10 0.40 114.93 123.68 1sjq h MET 68 Ca 0.62 0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.75 1sjq h MET 68 Cb 1.69 0.13 0.00 0.00 0.43 0.00 0.00 31.60 33.86 1sjq h MET 68 CO -0.29 -0.39 0.00 0.28 -0.40 0.00 0.00 176.91 176.11 1sjq h VAL 69 N -0.61 0.00 0.10 -5.77 2.07 -1.16 -3.01 116.25 107.88 1sjq h VAL 69 Ca -0.01 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1sjq h VAL 69 Cb 0.60 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1sjq h VAL 69 CO -0.21 0.00 -0.05 -1.13 0.02 0.00 0.00 177.57 176.20 1sjq h ASN 70 N 0.00 -0.12 -0.90 0.57 -0.73 0.34 -2.78 115.58 111.96 1sjq h ASN 70 Ca 0.00 0.00 0.08 0.00 1.87 0.00 0.00 56.30 58.26 1sjq h ASN 70 Cb 0.70 0.03 -0.06 0.00 0.27 0.00 0.00 38.32 39.26 1sjq h ASN 70 CO 0.00 0.15 0.59 0.22 -0.37 0.00 0.00 177.43 178.02 1sjq h TYR 71 N -0.62 1.01 -0.17 0.67 3.20 -0.36 0.16 116.97 120.87 1sjq h TYR 71 Ca -0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1sjq h TYR 71 Cb 0.11 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.05 1sjq h TYR 71 CO 0.02 0.50 0.00 0.66 -1.64 0.00 0.00 178.16 177.69 1sjq n TYR 72 N -4.51 0.31 0.01 -3.82 4.01 -1.13 -3.76 117.16 108.26 1sjq n TYR 72 Ca 0.15 -0.13 -0.04 0.00 -0.16 0.00 0.00 57.90 57.71 1sjq n TYR 72 Cb 0.25 -0.06 0.18 0.00 -0.31 0.00 0.00 39.34 39.41 1sjq n TYR 72 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1sjq h THR 73 N 1.01 1.28 0.00 -0.72 2.02 -0.37 -3.36 112.91 112.76 1sjq h THR 73 Ca 0.00 -1.35 -0.13 0.00 0.77 0.00 0.00 66.41 65.70 1sjq h THR 73 Cb 0.41 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 1sjq h THR 73 CO 0.03 0.43 -1.50 -1.20 0.37 0.00 0.00 175.52 173.65 1sjq n SER 74 N -4.09 3.13 -4.92 4.18 7.64 -1.25 -5.04 113.62 113.26 1sjq n SER 74 Ca -0.01 -0.04 -0.27 0.00 1.01 0.00 0.00 58.87 59.57 1sjq n SER 74 Cb 0.43 -0.15 -0.02 0.00 -1.01 0.00 0.00 64.21 63.46 1sjq n SER 74 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1sjq s VAL 75 N -2.18 5.06 0.08 0.44 -7.23 -1.25 -5.11 120.40 110.22 1sjq s VAL 75 Ca -0.12 -0.16 0.09 0.00 -1.81 0.00 0.00 61.98 59.98 1sjq s VAL 75 Cb 0.03 -3.79 -0.03 0.00 0.56 0.00 0.00 36.38 33.15 1sjq s VAL 75 CO 0.20 -0.43 -0.23 -0.89 -0.31 0.00 0.00 175.10 173.43 1sjq s THR 76 N -2.19 1.92 -1.15 5.32 2.01 -1.26 -4.34 115.64 115.95 1sjq s THR 76 Ca 0.42 -1.46 -0.09 0.00 0.31 0.00 0.00 61.69 60.87 1sjq s THR 76 Cb -0.10 -1.69 0.25 0.00 0.01 0.00 0.00 72.50 70.97 1sjq s THR 76 CO 0.33 0.14 1.40 -0.81 -0.69 0.00 0.00 174.62 175.00 1sjq n PRO 77 N 1.41 3.79 -1.52 4.92 -0.04 -1.26 -5.00 135.00 137.31 1sjq n PRO 77 Ca -0.18 -4.23 -0.32 0.00 -0.04 0.00 0.00 63.50 58.73 1sjq n PRO 77 Cb 0.53 -2.69 0.07 0.00 -0.04 0.00 0.00 33.50 31.36 1sjq n PRO 77 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sjq s VAL 78 N -0.91 3.45 -0.14 0.52 1.01 -1.26 -4.05 120.40 119.01 1sjq s VAL 78 Ca 0.35 0.54 -0.03 0.00 0.00 0.00 0.00 61.98 62.84 1sjq s VAL 78 Cb -0.01 -3.08 0.05 0.00 0.00 0.00 0.00 36.38 33.34 1sjq s VAL 78 CO 0.00 -0.54 0.05 -0.76 0.00 0.00 0.00 175.10 173.86 1sjq s LEU 79 N -5.44 0.59 -1.29 3.92 1.43 -0.46 -4.82 118.68 112.61 1sjq s LEU 79 Ca 0.63 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1sjq s LEU 79 Cb -0.18 -0.36 0.00 0.00 0.03 0.00 0.00 46.19 45.68 1sjq s LEU 79 CO 0.50 -0.29 0.00 0.54 0.23 0.00 0.00 176.35 177.33 1sjq n ARG 80 N 5.19 -1.29 0.00 1.70 1.74 -1.26 0.57 116.66 123.32 1sjq n ARG 80 Ca -0.07 0.72 0.00 0.00 -0.77 0.00 0.00 57.85 57.73 1sjq n ARG 80 Cb 0.49 -4.95 0.00 0.00 -1.02 0.00 0.00 32.46 26.97 1sjq n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sjq n GLY 81 N -0.24 1.09 3.17 -0.13 0.00 -1.26 -5.07 105.19 102.75 1sjq n GLY 81 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 1sjq n GLY 81 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sjq s GLN 82 N -0.70 2.43 0.04 1.61 2.00 0.19 -5.07 119.66 120.17 1sjq s GLN 82 Ca 0.00 -1.98 -0.31 0.00 -2.00 0.00 0.00 55.36 51.08 1sjq s GLN 82 Cb 0.00 -3.82 -0.06 0.00 0.80 0.00 0.00 33.01 29.92 1sjq s GLN 82 CO 0.00 -1.16 1.41 -2.14 -0.50 0.00 0.00 175.29 172.89 1sjq s PRO 83 N 0.94 4.29 -0.22 1.67 0.02 -1.26 -1.36 135.00 139.09 1sjq s PRO 83 Ca 0.09 2.02 -0.03 0.00 0.02 0.00 0.00 61.00 63.10 1sjq s PRO 83 Cb -0.23 -3.47 0.07 0.00 0.02 0.00 0.00 34.50 30.89 1sjq s PRO 83 CO -0.03 -0.53 0.06 0.96 -0.33 0.00 0.00 177.00 177.13 1sjq s ILE 84 N 1.99 0.45 0.51 2.83 -4.36 -1.24 -4.57 121.20 116.80 1sjq s ILE 84 Ca 0.65 -0.66 -0.19 0.00 -0.26 0.00 0.00 60.65 60.18 1sjq s ILE 84 Cb -0.33 -1.07 -0.08 0.00 1.25 0.00 0.00 42.46 42.23 1sjq s ILE 84 CO 0.28 -0.34 1.04 -0.31 0.24 0.00 0.00 174.94 175.85 1sjq s TYR 85 N 1.88 3.01 -0.13 1.37 1.51 -0.17 -4.11 117.35 120.71 1sjq s TYR 85 Ca 0.02 1.56 0.01 0.00 -1.01 0.00 0.00 57.07 57.65 1sjq s TYR 85 Cb -0.17 -3.04 0.02 0.00 -0.11 0.00 0.00 41.96 38.66 1sjq s TYR 85 CO -0.14 -0.86 -0.13 0.42 -1.11 0.00 0.00 175.55 173.73 1sjq s ILE 86 N -2.10 1.42 0.30 2.71 1.01 -1.26 0.60 121.20 123.88 1sjq s ILE 86 Ca 0.66 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.78 1sjq s ILE 86 Cb -0.16 -1.34 -0.06 0.00 0.01 0.00 0.00 42.46 40.91 1sjq s ILE 86 CO 0.24 0.43 0.08 -1.10 0.00 0.00 0.00 174.94 174.58 1sjq s GLN 87 N 1.35 1.54 1.31 2.79 1.11 0.66 -4.52 119.66 123.90 1sjq s GLN 87 Ca 0.01 -1.85 -0.22 0.00 0.01 0.00 0.00 55.36 53.31 1sjq s GLN 87 Cb -0.13 -0.60 0.33 0.00 -1.01 0.00 0.00 33.01 31.60 1sjq s GLN 87 CO -0.07 -0.23 0.92 1.19 0.01 0.00 0.00 175.29 177.10 1sjq n PHE 88 N -0.59 -3.78 -3.76 0.91 3.72 -1.26 0.20 117.46 112.90 1sjq n PHE 88 Ca -0.01 -0.85 -0.04 0.00 -0.05 0.00 0.00 57.45 56.50 1sjq n PHE 88 Cb 0.66 -1.15 -0.00 0.00 -0.94 0.00 0.00 39.48 38.05 1sjq n PHE 88 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1sjq n SER 89 N -5.33 1.61 0.00 4.37 3.41 -1.20 -1.97 113.62 114.51 1sjq n SER 89 Ca 0.14 -1.29 0.00 0.00 -0.26 0.00 0.00 58.87 57.46 1sjq n SER 89 Cb 0.57 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1sjq n SER 89 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1sjq n ASN 90 N -1.62 2.88 -2.85 4.04 6.94 -1.26 -4.93 115.26 118.45 1sjq n ASN 90 Ca -0.01 0.00 -0.09 0.00 -0.02 0.00 0.00 54.58 54.46 1sjq n ASN 90 Cb 0.09 0.01 0.07 0.00 -2.36 0.00 0.00 39.78 37.60 1sjq n ASN 90 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1sjq n HIS 91 N -2.19 -3.12 -0.06 -2.53 8.25 -1.26 -5.03 115.22 109.28 1sjq n HIS 91 Ca 0.00 -0.28 -0.09 0.00 -0.26 0.00 0.00 57.72 57.09 1sjq n HIS 91 Cb 0.36 -0.33 -0.05 0.00 1.12 0.00 0.00 29.99 31.09 1sjq n HIS 91 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1sjq n LYS 92 N -2.57 0.26 -4.31 -0.41 2.85 -1.26 -4.99 118.16 107.73 1sjq n LYS 92 Ca 0.04 0.08 -0.17 0.00 -1.05 0.00 0.00 58.31 57.22 1sjq n LYS 92 Cb 0.17 -1.11 -0.10 0.00 -0.65 0.00 0.00 35.03 33.34 1sjq n LYS 92 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1sjq s GLU 93 N -2.22 1.26 -0.26 -1.58 2.56 -1.26 -4.87 118.70 112.34 1sjq s GLU 93 Ca -0.15 -1.60 -0.29 0.00 0.00 0.00 0.00 54.97 52.92 1sjq s GLU 93 Cb 0.05 -0.70 0.01 0.00 2.00 0.00 0.00 34.13 35.49 1sjq s GLU 93 CO 0.23 -0.01 1.11 -1.17 -0.56 0.00 0.00 175.26 174.86 1sjq s LEU 94 N -3.27 4.04 0.00 2.70 1.98 -1.26 -4.98 118.68 117.89 1sjq s LEU 94 Ca 0.24 1.30 -0.30 0.00 -2.89 0.00 0.00 54.13 52.48 1sjq s LEU 94 Cb 0.04 -3.54 -0.07 0.00 0.66 0.00 0.00 46.19 43.27 1sjq s LEU 94 CO 0.06 -0.79 1.81 -0.54 -1.89 0.00 0.00 176.35 175.00 1sjq s LYS 95 N 3.47 4.16 -0.05 1.98 1.02 -1.26 -4.99 119.74 124.08 1sjq s LYS 95 Ca 0.47 2.41 0.05 0.00 0.02 0.00 0.00 55.97 58.93 1sjq s LYS 95 Cb -0.15 -4.02 -0.01 0.00 -0.52 0.00 0.00 37.83 33.13 1sjq s LYS 95 CO 0.12 -0.89 -0.22 0.95 -0.92 0.00 0.00 175.35 174.39 1sjq s THR 96 N 4.08 1.82 -0.86 2.17 -4.23 -1.26 -5.04 115.64 112.32 1sjq s THR 96 Ca 0.81 -0.93 -0.01 0.00 -1.18 0.00 0.00 61.69 60.37 1sjq s THR 96 Cb -0.39 -1.54 0.35 0.00 1.34 0.00 0.00 72.50 72.26 1sjq s THR 96 CO 0.36 0.51 1.95 -0.67 -0.54 0.00 0.00 174.62 176.22 1sjq n ASP 97 N 3.01 7.36 -3.67 3.99 2.03 -1.26 -4.84 116.55 123.17 1sjq n ASP 97 Ca -0.18 -3.81 -0.30 0.00 0.52 0.00 0.00 54.79 51.03 1sjq n ASP 97 Cb 0.52 -1.05 -0.14 0.00 -0.72 0.00 0.00 41.12 39.73 1sjq n ASP 97 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1sjq s SER 98 N -1.25 3.73 0.00 1.67 0.15 -1.26 -5.38 113.70 111.35 1sjq s SER 98 Ca 0.50 -1.96 0.00 0.00 0.70 0.00 0.00 55.95 55.19 1sjq s SER 98 Cb 0.40 -0.80 0.00 0.00 -1.71 0.00 0.00 66.02 63.91 1sjq s SER 98 CO -0.36 -0.36 0.00 -0.24 1.20 0.00 0.00 173.24 173.48