#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 1.80 1.38 0.23 0.00 -1.26 -5.01 105.19 102.33 1sjq n GLY 13 Ca 0.00 -0.24 0.05 0.00 0.00 0.00 0.00 46.02 45.83 1sjq n GLY 13 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sjq n VAL 14 N 0.00 -1.68 0.14 1.61 0.31 -1.26 -4.75 118.33 112.70 1sjq n VAL 14 Ca 0.00 0.99 -0.06 0.00 -0.01 0.00 0.00 64.34 65.26 1sjq n VAL 14 Cb 0.00 -1.60 -0.03 0.00 -0.91 0.00 0.00 33.84 31.31 1sjq n VAL 14 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1sjq h PRO 15 N -0.45 -0.35 0.00 5.55 0.11 -1.95 -3.50 132.00 131.42 1sjq h PRO 15 Ca -0.06 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1sjq h PRO 15 Cb 0.88 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1sjq h PRO 15 CO 0.02 -0.23 0.00 0.43 -0.21 0.00 0.00 178.00 178.01 1sjq n SER 16 N -3.02 0.00 0.06 -2.05 7.64 -1.26 -4.99 113.62 110.01 1sjq n SER 16 Ca -0.04 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.85 1sjq n SER 16 Cb 0.14 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.29 1sjq n SER 16 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1sjq h ARG 17 N 0.00 0.00 -5.81 1.43 -0.00 -1.92 -3.43 114.38 104.66 1sjq h ARG 17 Ca 0.00 0.00 -0.62 0.00 -0.50 0.00 0.00 59.98 58.86 1sjq h ARG 17 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 29.97 29.85 1sjq h ARG 17 CO 0.00 0.29 0.37 0.08 0.00 0.00 0.00 179.97 180.71 1sjq s VAL 18 N -2.98 4.67 -0.49 2.04 1.01 -1.26 -1.07 120.40 122.32 1sjq s VAL 18 Ca -0.01 0.61 -0.17 0.00 0.00 0.00 0.00 61.98 62.41 1sjq s VAL 18 Cb 0.09 -4.29 0.07 0.00 0.00 0.00 0.00 36.38 32.25 1sjq s VAL 18 CO 0.80 -0.62 0.51 -0.63 0.00 0.00 0.00 175.10 175.16 1sjq s ILE 19 N 3.25 5.05 -0.22 2.22 -1.09 0.57 -4.74 121.20 126.24 1sjq s ILE 19 Ca 0.31 -0.79 -0.29 0.00 -2.23 0.00 0.00 60.65 57.65 1sjq s ILE 19 Cb -0.12 -4.22 0.01 0.00 -1.58 0.00 0.00 42.46 36.54 1sjq s ILE 19 CO 0.21 -0.70 1.09 -2.28 -1.23 0.00 0.00 174.94 172.02 1sjq s HIS 20 N 2.14 3.22 -0.22 3.97 2.46 -1.16 -2.90 115.29 122.80 1sjq s HIS 20 Ca 0.10 1.36 -0.14 0.00 0.47 0.00 0.00 55.06 56.85 1sjq s HIS 20 Cb -0.22 -3.35 -0.04 0.00 -0.13 0.00 0.00 32.58 28.84 1sjq s HIS 20 CO 0.09 -0.75 0.30 0.42 -2.47 0.00 0.00 174.74 172.33 1sjq s ILE 21 N 3.30 5.26 0.43 0.89 1.01 -0.67 -2.05 121.20 129.37 1sjq s ILE 21 Ca 0.46 0.48 0.07 0.00 0.00 0.00 0.00 60.65 61.67 1sjq s ILE 21 Cb -0.16 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 1sjq s ILE 21 CO 0.08 0.28 0.37 -0.13 0.00 0.00 0.00 174.94 175.54 1sjq s ARG 22 N 1.30 2.46 -1.60 2.79 0.52 0.77 -2.81 118.95 122.39 1sjq s ARG 22 Ca 0.14 -1.63 -0.16 0.00 -0.52 0.00 0.00 55.73 53.56 1sjq s ARG 22 Cb -0.14 -2.31 0.13 0.00 0.52 0.00 0.00 34.95 33.14 1sjq s ARG 22 CO 0.07 -0.25 0.81 1.17 0.02 0.00 0.00 175.30 177.12 1sjq n LYS 23 N -1.56 -3.90 -3.79 3.54 3.00 -1.26 -1.56 118.16 112.63 1sjq n LYS 23 Ca 0.03 0.45 -0.30 0.00 -0.00 0.00 0.00 58.31 58.49 1sjq n LYS 23 Cb 0.62 -5.23 -0.15 0.00 0.00 0.00 0.00 35.03 30.27 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 -7.17 2.82 -0.63 3.14 2.96 -1.24 -3.74 118.68 114.83 1sjq s LEU 24 Ca 0.68 -1.91 -0.23 0.00 -0.22 0.00 0.00 54.13 52.45 1sjq s LEU 24 Cb -0.36 -1.05 -0.23 0.00 0.50 0.00 0.00 46.19 45.05 1sjq s LEU 24 CO 0.84 -0.38 1.75 -2.65 -1.32 0.00 0.00 176.35 174.59 1sjq n PRO 25 N 4.51 0.05 -0.93 0.98 -0.02 -1.26 -3.51 135.00 134.82 1sjq n PRO 25 Ca 0.01 -1.21 -0.36 0.00 -2.02 0.00 0.00 63.50 59.91 1sjq n PRO 25 Cb 0.41 -3.05 -0.05 0.00 -0.02 0.00 0.00 33.50 30.79 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 7.69 0.00 0.00 4.25 2.08 -1.26 -3.92 119.36 128.20 1sjq n ILE 26 Ca 0.34 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.65 1sjq n ILE 26 Cb 0.45 -0.13 0.00 0.00 -0.75 0.00 0.00 39.64 39.21 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 1.52 0.00 -3.02 4.38 -0.08 -1.26 -4.71 116.55 113.38 1sjq n ASP 27 Ca 0.14 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.42 1sjq n ASP 27 Cb 0.01 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.47 1sjq n ASP 27 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1sjq n VAL 28 N 0.00 0.00 -4.51 5.18 0.31 -1.25 -5.02 118.33 113.03 1sjq n VAL 28 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 1sjq n VAL 28 Cb 0.00 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.80 1sjq n VAL 28 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1sjq s THR 29 N 0.00 1.73 0.02 2.52 -4.23 -1.26 -5.05 115.64 109.37 1sjq s THR 29 Ca 0.00 -1.36 -0.24 0.00 -1.18 0.00 0.00 61.69 58.91 1sjq s THR 29 Cb 0.00 -1.53 -0.17 0.00 1.34 0.00 0.00 72.50 72.14 1sjq s THR 29 CO 0.00 0.11 1.43 -0.33 -0.54 0.00 0.00 174.62 175.29 1sjq h GLU 30 N 4.54 0.07 -1.19 3.99 3.07 -1.97 -1.03 114.58 122.06 1sjq h GLU 30 Ca -0.44 -0.02 0.35 0.00 -0.50 0.00 0.00 59.36 58.75 1sjq h GLU 30 Cb 1.17 -0.01 -0.11 0.00 -0.84 0.00 0.00 28.75 28.96 1sjq h GLU 30 CO 0.42 0.38 0.77 0.78 -1.40 0.00 0.00 179.01 179.96 1sjq h GLY 31 N -0.25 1.23 0.00 -3.84 0.00 -1.96 1.01 103.07 99.26 1sjq h GLY 31 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1sjq h GLY 31 CO 0.00 -0.27 -0.09 -2.09 0.00 0.00 0.00 176.54 174.09 1sjq h GLU 32 N 0.22 0.00 0.28 4.80 4.57 -1.94 -2.59 114.58 119.93 1sjq h GLU 32 Ca 0.71 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.89 1sjq h GLU 32 Cb 2.07 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 30.63 1sjq h GLU 32 CO -0.35 0.00 -0.52 0.28 -1.18 0.00 0.00 179.01 177.24 1sjq h VAL 33 N -0.90 0.01 -0.95 0.32 2.07 -0.53 -1.50 116.25 114.77 1sjq h VAL 33 Ca 0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 1sjq h VAL 33 Cb 0.09 0.01 -0.09 0.00 -1.52 0.00 0.00 31.29 29.78 1sjq h VAL 33 CO 0.00 0.00 0.58 0.40 0.02 0.00 0.00 177.57 178.57 1sjq h ILE 34 N -0.86 0.87 -0.97 4.57 2.04 0.84 0.25 117.51 124.25 1sjq h ILE 34 Ca -0.03 -0.30 0.19 0.00 1.00 0.00 0.00 64.86 65.72 1sjq h ILE 34 Cb 0.81 -0.09 -0.11 0.00 -0.74 0.00 0.00 36.82 36.69 1sjq h ILE 34 CO -0.20 0.16 0.57 0.28 0.00 0.00 0.00 178.15 178.97 1sjq h SER 35 N 0.89 0.71 0.34 1.72 0.02 -0.88 0.88 113.55 117.23 1sjq h SER 35 Ca 0.48 0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 61.49 1sjq h SER 35 Cb 0.53 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1sjq h SER 35 CO -0.29 0.24 -0.25 -0.07 -1.14 0.00 0.00 176.83 175.32 1sjq h LEU 36 N 0.71 0.00 0.00 5.07 -0.00 -0.15 -2.13 115.31 118.80 1sjq h LEU 36 Ca 0.57 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.43 1sjq h LEU 36 Cb 0.90 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.56 1sjq h LEU 36 CO -0.40 0.25 -0.18 1.23 -0.00 0.00 0.00 178.44 179.33 1sjq h GLY 37 N 0.93 0.00 -0.38 0.83 0.00 0.91 -3.35 103.07 102.01 1sjq h GLY 37 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.41 1sjq h GLY 37 CO 0.03 0.00 -0.42 1.41 0.00 0.00 0.00 176.54 177.56 1sjq h LEU 38 N 0.00 -1.43 -2.93 3.11 -0.00 -0.34 0.95 115.31 114.69 1sjq h LEU 38 Ca -0.00 0.23 0.00 0.00 -0.00 0.00 0.00 57.88 58.11 1sjq h LEU 38 Cb 1.05 0.64 0.00 0.00 -0.00 0.00 0.00 40.66 42.35 1sjq h LEU 38 CO 0.01 -0.35 0.02 -0.65 -0.00 0.00 0.00 178.44 177.47 1sjq h PRO 39 N -0.27 0.00 -0.63 1.13 0.11 -1.73 0.20 132.00 130.81 1sjq h PRO 39 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1sjq h PRO 39 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1sjq h PRO 39 CO -0.63 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.35 1sjq n PHE 40 N -3.06 1.01 0.00 0.65 3.72 0.33 -5.00 117.46 115.10 1sjq n PHE 40 Ca -0.03 -0.39 0.00 0.00 -0.05 0.00 0.00 57.45 56.98 1sjq n PHE 40 Cb 0.09 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 1sjq n PHE 40 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sjq n GLY 41 N 0.70 1.07 3.27 1.37 0.00 0.70 -3.90 105.19 108.40 1sjq n GLY 41 Ca 0.16 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.04 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 0.83 -0.31 1.61 1.02 -1.26 -4.49 119.74 117.14 1sjq s LYS 42 Ca 0.00 -0.45 -0.11 0.00 0.02 0.00 0.00 55.97 55.43 1sjq s LYS 42 Cb 0.00 0.36 -0.02 0.00 -0.52 0.00 0.00 37.83 37.65 1sjq s LYS 42 CO 0.00 -0.27 0.19 0.08 -0.92 0.00 0.00 175.35 174.43 1sjq s VAL 43 N -2.47 5.00 -2.06 3.17 1.01 -1.26 -3.04 120.40 120.75 1sjq s VAL 43 Ca -0.05 -0.18 0.22 0.00 0.00 0.00 0.00 61.98 61.96 1sjq s VAL 43 Cb -0.01 -3.50 0.60 0.00 0.00 0.00 0.00 36.38 33.47 1sjq s VAL 43 CO -0.03 0.10 1.51 0.35 0.00 0.00 0.00 175.10 177.03 1sjq n THR 44 N 5.04 0.89 0.00 3.92 -2.24 0.17 -4.93 114.28 117.13 1sjq n THR 44 Ca -0.14 -0.92 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 1sjq n THR 44 Cb 0.50 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 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 1.55 0.00 -3.68 3.42 2.85 -1.18 -4.82 115.26 113.40 1sjq n ASN 45 Ca 0.23 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.60 1sjq n ASN 45 Cb 0.59 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.51 1sjq n ASN 45 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1sjq s LEU 46 N 0.00 -0.30 -0.20 1.20 2.96 -1.26 -0.92 118.68 120.17 1sjq s LEU 46 Ca 0.00 0.94 -0.04 0.00 -0.22 0.00 0.00 54.13 54.80 1sjq s LEU 46 Cb 0.00 1.37 0.08 0.00 0.50 0.00 0.00 46.19 48.14 1sjq s LEU 46 CO 0.00 -0.21 0.12 -0.22 -1.32 0.00 0.00 176.35 174.73 1sjq s LEU 47 N 1.81 0.30 -0.27 -0.68 1.98 -0.32 -5.00 118.68 116.50 1sjq s LEU 47 Ca -0.07 -0.70 -0.23 0.00 -2.89 0.00 0.00 54.13 50.24 1sjq s LEU 47 Cb -0.09 -0.15 -0.00 0.00 0.66 0.00 0.00 46.19 46.61 1sjq s LEU 47 CO -0.13 -0.37 0.78 -0.04 -1.89 0.00 0.00 176.35 174.71 1sjq s MET 48 N 2.17 4.09 -0.52 1.98 -1.94 -1.26 -2.20 119.30 121.61 1sjq s MET 48 Ca 0.04 0.74 -0.14 0.00 -1.71 0.00 0.00 55.69 54.63 1sjq s MET 48 Cb -0.16 -3.68 0.12 0.00 2.01 0.00 0.00 34.83 33.13 1sjq s MET 48 CO -0.16 -0.57 0.45 -1.17 -0.01 0.00 0.00 175.02 173.56 1sjq s LEU 49 N 2.84 6.01 0.60 -0.03 2.96 -0.68 -4.91 118.68 125.47 1sjq s LEU 49 Ca 0.33 -1.80 0.28 0.00 -0.22 0.00 0.00 54.13 52.72 1sjq s LEU 49 Cb -0.15 -2.15 1.53 0.00 0.50 0.00 0.00 46.19 45.93 1sjq s LEU 49 CO 0.10 -0.80 1.85 0.11 -1.32 0.00 0.00 176.35 176.29 1sjq h LYS 50 N 8.75 0.00 0.00 1.98 1.79 -1.84 -3.09 116.57 124.16 1sjq h LYS 50 Ca -0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1sjq h LYS 50 Cb 1.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 1sjq h LYS 50 CO 0.98 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.76 1sjq n GLY 51 N -1.22 0.00 2.79 3.86 0.00 -1.26 -3.37 105.19 105.99 1sjq n GLY 51 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1sjq n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sjq n LYS 52 N 0.00 2.77 -3.71 1.61 4.76 -1.25 -4.91 118.16 117.43 1sjq n LYS 52 Ca 0.00 -3.52 -0.30 0.00 -2.87 0.00 0.00 58.31 51.62 1sjq n LYS 52 Cb 0.00 -2.27 0.01 0.00 -1.84 0.00 0.00 35.03 30.93 1sjq n LYS 52 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1sjq n ASN 53 N -0.61 -4.99 -3.71 4.39 5.03 -1.22 -4.94 115.26 109.22 1sjq n ASN 53 Ca 0.55 -0.71 -0.11 0.00 0.87 0.00 0.00 54.58 55.17 1sjq n ASN 53 Cb 0.33 -1.58 -0.11 0.00 -1.02 0.00 0.00 39.78 37.40 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 -4.14 0.40 0.34 3.52 -0.21 -1.17 -3.71 119.66 114.70 1sjq s GLN 54 Ca 0.13 0.70 0.08 0.00 0.02 0.00 0.00 55.36 56.28 1sjq s GLN 54 Cb -0.01 0.05 -0.04 0.00 1.00 0.00 0.00 33.01 34.01 1sjq s GLN 54 CO 0.89 -0.13 0.20 0.00 -2.12 0.00 0.00 175.29 174.14 1sjq s ALA 55 N 1.01 3.64 -0.13 6.09 0.00 -1.12 -1.68 121.76 129.55 1sjq s ALA 55 Ca -0.06 -1.77 -0.04 0.00 0.00 0.00 0.00 51.96 50.08 1sjq s ALA 55 Cb -0.07 -0.89 0.06 0.00 0.00 0.00 0.00 23.12 22.23 1sjq s ALA 55 CO -0.08 0.01 0.18 -0.06 0.00 0.00 0.00 175.76 175.81 1sjq s PHE 56 N -2.39 -0.19 -0.03 0.00 0.40 -0.94 -1.68 117.98 113.16 1sjq s PHE 56 Ca 0.39 0.42 0.07 0.00 -0.60 0.00 0.00 56.93 57.22 1sjq s PHE 56 Cb -0.04 -0.32 -0.02 0.00 0.51 0.00 0.00 43.02 43.16 1sjq s PHE 56 CO 0.24 -0.41 -0.25 0.96 0.70 0.00 0.00 175.22 176.47 1sjq s ILE 57 N 2.30 2.13 -0.42 0.64 -4.36 -1.14 -1.17 121.20 119.18 1sjq s ILE 57 Ca 0.04 -1.07 -0.08 0.00 -0.26 0.00 0.00 60.65 59.28 1sjq s ILE 57 Cb -0.14 -1.75 0.09 0.00 1.25 0.00 0.00 42.46 41.91 1sjq s ILE 57 CO -0.08 0.58 0.25 -0.70 0.24 0.00 0.00 174.94 175.23 1sjq s GLU 58 N -0.55 2.50 0.45 0.37 -6.30 -0.09 -0.31 118.70 114.77 1sjq s GLU 58 Ca 0.08 -1.54 -0.23 0.00 -2.50 0.00 0.00 54.97 50.78 1sjq s GLU 58 Cb -0.11 -3.74 -0.07 0.00 0.00 0.00 0.00 34.13 30.21 1sjq s GLU 58 CO -0.00 -0.98 1.16 -1.64 0.02 0.00 0.00 175.26 173.82 1sjq s MET 59 N 1.37 3.78 0.07 4.30 -1.94 -0.23 0.44 119.30 127.09 1sjq s MET 59 Ca 0.04 1.78 -0.20 0.00 -1.71 0.00 0.00 55.69 55.59 1sjq s MET 59 Cb -0.23 -2.43 -0.11 0.00 2.01 0.00 0.00 34.83 34.07 1sjq s MET 59 CO 0.01 -0.53 1.50 -0.91 -0.01 0.00 0.00 175.02 175.07 1sjq h ASN 60 N 2.10 0.32 -1.66 3.03 4.21 -1.88 -3.45 115.58 118.25 1sjq h ASN 60 Ca -0.49 -0.31 -0.57 0.00 1.21 0.00 0.00 56.30 56.14 1sjq h ASN 60 Cb 1.25 -0.09 -0.09 0.00 -1.12 0.00 0.00 38.32 38.27 1sjq h ASN 60 CO 0.60 0.55 -0.51 0.28 -1.29 0.00 0.00 177.43 177.06 1sjq s THR 61 N -4.98 2.41 -0.00 2.81 -1.32 -1.26 -5.06 115.64 108.24 1sjq s THR 61 Ca -0.14 -1.73 -0.23 0.00 -1.21 0.00 0.00 61.69 58.39 1sjq s THR 61 Cb 0.06 -2.98 -0.19 0.00 -1.51 0.00 0.00 72.50 67.89 1sjq s THR 61 CO 0.73 -0.04 1.22 -0.33 -2.21 0.00 0.00 174.62 173.98 1sjq h GLU 62 N 1.48 0.24 -0.66 7.08 3.07 -1.92 -3.00 114.58 120.87 1sjq h GLU 62 Ca -0.43 -0.17 0.19 0.00 -0.50 0.00 0.00 59.36 58.45 1sjq h GLU 62 Cb 1.25 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 29.16 1sjq h GLU 62 CO 0.69 0.78 0.62 0.93 -1.40 0.00 0.00 179.01 180.62 1sjq h GLU 63 N -0.26 0.00 0.07 2.33 5.08 -1.97 0.02 114.58 119.85 1sjq h GLU 63 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1sjq h GLU 63 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1sjq h GLU 63 CO 0.04 0.00 -0.03 0.00 -1.00 0.00 0.00 179.01 178.01 1sjq h ALA 64 N 1.38 -0.09 0.29 3.43 0.00 -1.64 -3.04 119.26 119.58 1sjq h ALA 64 Ca 0.31 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1sjq h ALA 64 Cb 1.54 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 1sjq h ALA 64 CO -0.00 -0.19 -0.45 0.00 0.00 0.00 0.00 179.25 178.60 1sjq h ALA 65 N -0.05 -0.91 -0.18 0.00 0.00 -0.92 -2.23 119.26 114.96 1sjq h ALA 65 Ca -0.01 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1sjq h ALA 65 Cb 0.62 0.70 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 1sjq h ALA 65 CO 0.02 -1.07 -0.29 -0.91 0.00 0.00 0.00 179.25 177.00 1sjq h ASN 66 N -0.80 -0.97 -0.94 0.00 2.35 -1.48 -2.09 115.58 111.65 1sjq h ASN 66 Ca -0.02 0.12 0.13 0.00 -0.55 0.00 0.00 56.30 55.99 1sjq h ASN 66 Cb 0.76 0.39 -0.15 0.00 0.05 0.00 0.00 38.32 39.37 1sjq h ASN 66 CO -0.16 -0.23 -0.43 0.74 -1.65 0.00 0.00 177.43 175.71 1sjq h THR 67 N -0.24 0.02 -0.50 2.81 2.02 -1.46 1.40 112.91 116.96 1sjq h THR 67 Ca 0.03 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.26 1sjq h THR 67 Cb 0.33 0.02 -0.06 0.00 -1.74 0.00 0.00 68.15 66.70 1sjq h THR 67 CO -0.29 0.00 -0.30 0.80 0.37 0.00 0.00 175.52 176.10 1sjq n MET 68 N -5.42 -0.22 -0.06 6.66 0.00 -0.79 0.34 117.12 117.62 1sjq n MET 68 Ca 0.08 1.06 -0.04 0.00 -0.00 0.00 0.00 57.70 58.80 1sjq n MET 68 Cb 0.37 -1.57 -0.02 0.00 0.00 0.00 0.00 33.22 31.99 1sjq n MET 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1sjq h VAL 69 N 0.00 0.23 -1.17 1.12 2.07 -1.12 -3.07 116.25 114.30 1sjq h VAL 69 Ca 0.08 -1.20 0.42 0.00 0.82 0.00 0.00 66.70 66.82 1sjq h VAL 69 Cb 0.21 0.46 -0.13 0.00 -1.52 0.00 0.00 31.29 30.30 1sjq h VAL 69 CO -0.47 0.08 0.73 -3.20 0.02 0.00 0.00 177.57 174.73 1sjq n ASN 70 N -4.70 0.21 -0.04 0.57 2.85 0.47 0.72 115.26 115.33 1sjq n ASN 70 Ca -0.05 1.27 -0.11 0.00 -0.11 0.00 0.00 54.58 55.59 1sjq n ASN 70 Cb 0.16 -0.62 -0.09 0.00 1.24 0.00 0.00 39.78 40.46 1sjq n ASN 70 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1sjq h TYR 71 N 0.00 -0.03 0.00 1.20 3.20 -0.23 -3.25 116.97 117.86 1sjq h TYR 71 Ca 0.78 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.65 1sjq h TYR 71 Cb 2.43 0.01 0.00 0.00 1.54 0.00 0.00 36.73 40.71 1sjq h TYR 71 CO -0.01 0.64 0.00 0.66 -1.64 0.00 0.00 178.16 177.82 1sjq n TYR 72 N -4.71 0.00 -0.41 -3.82 4.01 0.14 -3.38 117.16 108.99 1sjq n TYR 72 Ca -0.07 0.00 0.36 0.00 -0.16 0.00 0.00 57.90 58.02 1sjq n TYR 72 Cb 0.33 -0.45 0.61 0.00 -0.31 0.00 0.00 39.34 39.51 1sjq n TYR 72 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1sjq n THR 73 N -1.45 -0.25 -0.03 -0.72 -1.04 0.22 -2.67 114.28 108.33 1sjq n THR 73 Ca 0.03 1.68 -0.08 0.00 -2.04 0.00 0.00 64.05 63.63 1sjq n THR 73 Cb 0.09 -2.75 -0.03 0.00 -1.82 0.00 0.00 70.33 65.83 1sjq n THR 73 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1sjq n SER 74 N -4.61 1.32 -4.66 8.00 2.88 -1.22 -4.97 113.62 110.36 1sjq n SER 74 Ca 0.37 0.21 -0.43 0.00 -1.33 0.00 0.00 58.87 57.69 1sjq n SER 74 Cb 1.39 -0.49 -0.02 0.00 -0.75 0.00 0.00 64.21 64.35 1sjq n SER 74 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1sjq s VAL 75 N -2.37 4.65 0.01 2.46 1.01 -1.09 -5.03 120.40 120.03 1sjq s VAL 75 Ca -0.16 1.97 -0.12 0.00 0.00 0.00 0.00 61.98 63.67 1sjq s VAL 75 Cb 0.04 -4.27 -0.06 0.00 0.00 0.00 0.00 36.38 32.09 1sjq s VAL 75 CO 0.22 -0.14 0.38 -0.89 0.00 0.00 0.00 175.10 174.66 1sjq s THR 76 N 3.03 5.10 -0.11 3.92 2.01 -1.26 -4.16 115.64 124.17 1sjq s THR 76 Ca 0.46 0.66 -0.09 0.00 0.31 0.00 0.00 61.69 63.02 1sjq s THR 76 Cb -0.16 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 1sjq s THR 76 CO 0.09 0.50 0.20 -2.16 -0.69 0.00 0.00 174.62 172.56 1sjq s PRO 77 N -1.31 3.71 0.50 4.92 0.04 -1.25 -4.95 135.00 136.67 1sjq s PRO 77 Ca 0.25 -0.02 0.01 0.00 0.04 0.00 0.00 61.00 61.28 1sjq s PRO 77 Cb -0.15 -3.25 -0.00 0.00 0.04 0.00 0.00 34.50 31.13 1sjq s PRO 77 CO 0.14 0.64 0.04 0.14 0.04 0.00 0.00 177.00 178.00 1sjq s VAL 78 N -0.69 0.86 -0.07 -0.36 -7.23 -1.26 0.25 120.40 111.89 1sjq s VAL 78 Ca 0.16 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.30 1sjq s VAL 78 Cb -0.13 -2.08 0.04 0.00 0.56 0.00 0.00 36.38 34.77 1sjq s VAL 78 CO 0.05 0.00 0.09 -0.22 -0.31 0.00 0.00 175.10 174.71 1sjq s LEU 79 N -3.83 0.10 -0.75 1.32 1.98 0.22 -4.80 118.68 112.92 1sjq s LEU 79 Ca 0.06 0.06 0.00 0.00 -2.89 0.00 0.00 54.13 51.36 1sjq s LEU 79 Cb 0.00 -0.04 0.00 0.00 0.66 0.00 0.00 46.19 46.81 1sjq s LEU 79 CO 0.04 -0.26 0.00 0.54 -1.89 0.00 0.00 176.35 174.78 1sjq n ARG 80 N 5.30 -1.75 0.00 1.98 1.74 -1.26 0.14 116.66 122.82 1sjq n ARG 80 Ca -0.04 0.42 0.00 0.00 -0.77 0.00 0.00 57.85 57.46 1sjq n ARG 80 Cb 0.50 -4.74 0.00 0.00 -1.02 0.00 0.00 32.46 27.20 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 -0.38 1.14 3.00 -0.13 0.00 -1.26 -5.07 105.19 102.48 1sjq n GLY 81 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.38 1.57 0.16 1.61 2.00 0.37 -5.09 119.66 119.89 1sjq s GLN 82 Ca 0.00 -2.02 -0.33 0.00 -2.00 0.00 0.00 55.36 51.01 1sjq s GLN 82 Cb 0.00 -3.20 -0.13 0.00 0.80 0.00 0.00 33.01 30.48 1sjq s GLN 82 CO 0.00 -0.98 1.67 -2.30 -0.50 0.00 0.00 175.29 173.18 1sjq n PRO 83 N 4.02 2.43 -3.76 1.67 -0.02 -1.26 0.70 135.00 138.79 1sjq n PRO 83 Ca 0.04 0.88 -0.28 0.00 -2.02 0.00 0.00 63.50 62.12 1sjq n PRO 83 Cb 0.40 -2.69 -0.16 0.00 -0.02 0.00 0.00 33.50 31.03 1sjq n PRO 83 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1sjq s ILE 84 N 1.33 0.65 0.36 4.25 -4.36 0.68 -4.61 121.20 119.50 1sjq s ILE 84 Ca 0.78 -0.69 -0.24 0.00 -0.26 0.00 0.00 60.65 60.25 1sjq s ILE 84 Cb -0.60 -1.16 -0.10 0.00 1.25 0.00 0.00 42.46 41.85 1sjq s ILE 84 CO 0.37 -0.23 0.93 -0.31 0.24 0.00 0.00 174.94 175.94 1sjq s TYR 85 N 1.79 3.54 -0.24 1.37 2.02 -0.60 -3.83 117.35 121.40 1sjq s TYR 85 Ca -0.01 1.69 0.01 0.00 -0.37 0.00 0.00 57.07 58.39 1sjq s TYR 85 Cb -0.17 -2.87 0.07 0.00 -0.40 0.00 0.00 41.96 38.58 1sjq s TYR 85 CO -0.09 0.10 -0.03 0.42 -1.57 0.00 0.00 175.55 174.38 1sjq s ILE 86 N -1.83 1.46 0.14 2.71 1.01 -1.26 -0.16 121.20 123.27 1sjq s ILE 86 Ca 0.54 -1.25 -0.01 0.00 0.00 0.00 0.00 60.65 59.93 1sjq s ILE 86 Cb -0.15 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 1sjq s ILE 86 CO 0.20 -0.18 0.08 -1.10 0.00 0.00 0.00 174.94 173.94 1sjq s GLN 87 N 1.41 0.98 -0.14 2.79 -0.21 -0.87 -4.29 119.66 119.34 1sjq s GLN 87 Ca -0.03 -1.46 -0.29 0.00 0.02 0.00 0.00 55.36 53.60 1sjq s GLN 87 Cb -0.19 0.25 -0.02 0.00 1.00 0.00 0.00 33.01 34.06 1sjq s GLN 87 CO -0.08 -0.29 1.32 -0.06 -2.12 0.00 0.00 175.29 174.06 1sjq s PHE 88 N -4.06 2.74 -0.13 0.91 0.08 -1.26 -3.00 117.98 113.26 1sjq s PHE 88 Ca 0.26 0.90 -0.15 0.00 0.12 0.00 0.00 56.93 58.06 1sjq s PHE 88 Cb 0.07 -3.56 0.04 0.00 -0.57 0.00 0.00 43.02 39.00 1sjq s PHE 88 CO 0.03 -2.00 0.41 0.45 -0.10 0.00 0.00 175.22 174.02 1sjq s SER 89 N 2.14 -0.41 0.00 1.36 0.15 -1.26 -4.95 113.70 110.72 1sjq s SER 89 Ca 0.57 0.73 0.00 0.00 0.70 0.00 0.00 55.95 57.96 1sjq s SER 89 Cb -0.24 0.77 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1sjq s SER 89 CO 0.17 -0.20 0.00 0.59 1.20 0.00 0.00 173.24 175.00 1sjq n ASN 90 N 2.59 0.00 0.00 5.45 4.13 -1.26 -4.46 115.26 121.70 1sjq n ASN 90 Ca -0.14 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.12 1sjq n ASN 90 Cb 0.57 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.81 1sjq n ASN 90 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1sjq n HIS 91 N 0.00 0.00 -1.54 3.10 8.25 -1.26 -4.94 115.22 118.82 1sjq n HIS 91 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 1sjq n HIS 91 Cb 0.00 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.00 1sjq n HIS 91 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1sjq n LYS 92 N -2.00 0.41 -0.96 -0.41 5.02 -1.26 -4.85 118.16 114.10 1sjq n LYS 92 Ca 0.00 -0.69 -0.38 0.00 -2.02 0.00 0.00 58.31 55.23 1sjq n LYS 92 Cb 0.00 -3.08 0.05 0.00 -0.02 0.00 0.00 35.03 31.98 1sjq n LYS 92 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1sjq n GLU 93 N 8.00 -0.17 -1.93 1.97 -0.58 -1.26 -4.66 120.64 122.01 1sjq n GLU 93 Ca 0.51 -0.05 -0.38 0.00 -0.42 0.00 0.00 57.16 56.82 1sjq n GLU 93 Cb 0.37 -1.09 -0.03 0.00 -0.57 0.00 0.00 31.44 30.12 1sjq n GLU 93 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1sjq s LEU 94 N 6.88 3.32 0.09 -4.62 1.43 -1.26 -4.93 118.68 119.59 1sjq s LEU 94 Ca 0.39 0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 54.01 1sjq s LEU 94 Cb 0.03 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 1sjq s LEU 94 CO 0.69 -2.48 -0.01 -1.59 0.23 0.00 0.00 176.35 173.19 1sjq s LYS 95 N 7.29 0.78 -0.58 1.70 -2.85 -1.26 -5.11 119.74 119.70 1sjq s LYS 95 Ca 0.74 -1.33 -0.21 0.00 -1.00 0.00 0.00 55.97 54.17 1sjq s LYS 95 Cb -0.14 0.12 0.07 0.00 -2.06 0.00 0.00 37.83 35.82 1sjq s LYS 95 CO 0.22 -0.14 0.78 0.95 0.10 0.00 0.00 175.35 177.25 1sjq s THR 96 N -3.89 4.66 0.00 3.79 -4.23 -1.26 -4.34 115.64 110.37 1sjq s THR 96 Ca 0.14 -0.54 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 1sjq s THR 96 Cb 0.07 -4.49 0.00 0.00 1.34 0.00 0.00 72.50 69.42 1sjq s THR 96 CO -0.04 -1.12 0.00 0.47 -0.54 0.00 0.00 174.62 173.39 1sjq n ASP 97 N 6.77 0.00 -4.49 3.99 9.92 -1.26 -5.05 116.55 126.43 1sjq n ASP 97 Ca -0.06 0.00 -0.44 0.00 -0.53 0.00 0.00 54.79 53.76 1sjq n ASP 97 Cb 0.45 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.93 1sjq n ASP 97 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1sjq s SER 98 N 0.00 7.01 0.00 -2.24 0.15 -1.26 -5.31 113.70 112.06 1sjq s SER 98 Ca 0.00 -2.86 0.11 0.00 0.70 0.00 0.00 55.95 53.90 1sjq s SER 98 Cb 0.00 -2.45 0.65 0.00 -1.71 0.00 0.00 66.02 62.51 1sjq s SER 98 CO 0.00 -0.85 1.09 -1.54 1.20 0.00 0.00 173.24 173.14