#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 3.94 3.67 0.23 0.00 -1.26 -5.09 105.19 106.68 1sjq n GLY 13 Ca 0.00 -1.98 -0.53 0.00 0.00 0.00 0.00 46.02 43.51 1sjq n GLY 13 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1sjq n VAL 14 N 0.51 0.42 -1.60 1.61 3.14 -1.26 -4.81 118.33 116.35 1sjq n VAL 14 Ca 0.26 -0.10 -0.51 0.00 -2.96 0.00 0.00 64.34 61.03 1sjq n VAL 14 Cb 0.55 -1.58 -0.06 0.00 -1.06 0.00 0.00 33.84 31.69 1sjq n VAL 14 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1sjq n PRO 15 N 6.32 1.56 -4.08 1.45 -0.02 -1.26 -4.95 135.00 134.02 1sjq n PRO 15 Ca 0.26 0.53 -0.07 0.00 -2.02 0.00 0.00 63.50 62.20 1sjq n PRO 15 Cb 0.22 -2.51 -0.10 0.00 -0.02 0.00 0.00 33.50 31.09 1sjq n PRO 15 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1sjq s SER 16 N 5.39 0.48 0.00 2.55 1.04 -1.26 -5.03 113.70 116.86 1sjq s SER 16 Ca 1.00 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1sjq s SER 16 Cb -0.81 0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.52 1sjq s SER 16 CO 0.53 -0.60 0.00 0.54 0.98 0.00 0.00 173.24 174.69 1sjq n ARG 17 N 0.13 0.00 -3.19 4.02 1.74 -1.26 -4.47 116.66 113.63 1sjq n ARG 17 Ca -0.14 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.55 1sjq n ARG 17 Cb 0.61 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.99 1sjq n ARG 17 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1sjq s VAL 18 N -1.59 4.70 -0.30 1.55 0.11 -1.26 -0.06 120.40 123.55 1sjq s VAL 18 Ca 0.00 1.34 0.03 0.00 -2.93 0.00 0.00 61.98 60.42 1sjq s VAL 18 Cb 0.00 -3.96 0.08 0.00 -1.53 0.00 0.00 36.38 30.96 1sjq s VAL 18 CO 0.00 0.51 -0.02 -0.63 -3.33 0.00 0.00 175.10 171.63 1sjq s ILE 19 N -0.86 2.35 -0.53 7.04 -1.09 0.40 -2.72 121.20 125.79 1sjq s ILE 19 Ca 0.31 -1.92 -0.28 0.00 -2.23 0.00 0.00 60.65 56.53 1sjq s ILE 19 Cb -0.20 -2.53 0.03 0.00 -1.58 0.00 0.00 42.46 38.17 1sjq s ILE 19 CO 0.20 -0.30 1.23 -2.28 -1.23 0.00 0.00 174.94 172.56 1sjq s HIS 20 N 1.04 2.60 -0.28 3.97 5.65 0.70 -2.76 115.29 126.22 1sjq s HIS 20 Ca 0.00 0.54 -0.24 0.00 0.25 0.00 0.00 55.06 55.61 1sjq s HIS 20 Cb -0.20 -4.46 -0.00 0.00 -1.18 0.00 0.00 32.58 26.74 1sjq s HIS 20 CO -0.06 -1.59 0.83 0.42 -0.65 0.00 0.00 174.74 173.70 1sjq s ILE 21 N 5.01 4.79 0.42 0.89 1.01 0.03 0.19 121.20 133.54 1sjq s ILE 21 Ca 0.48 1.42 0.08 0.00 0.00 0.00 0.00 60.65 62.63 1sjq s ILE 21 Cb -0.08 -4.15 0.01 0.00 0.01 0.00 0.00 42.46 38.24 1sjq s ILE 21 CO 0.28 -0.18 0.55 0.00 0.00 0.00 0.00 174.94 175.59 1sjq s ARG 22 N 2.96 2.79 -0.95 2.79 1.70 -0.72 -2.68 118.95 124.84 1sjq s ARG 22 Ca 0.35 -1.28 -0.04 0.00 -0.47 0.00 0.00 55.73 54.29 1sjq s ARG 22 Cb -0.15 -2.72 0.04 0.00 -0.57 0.00 0.00 34.95 31.55 1sjq s ARG 22 CO 0.10 -0.27 0.20 1.17 -1.08 0.00 0.00 175.30 175.42 1sjq n LYS 23 N -1.82 -2.75 -4.36 3.89 4.81 -1.26 -1.63 118.16 115.04 1sjq n LYS 23 Ca 0.08 0.41 -0.33 0.00 -0.87 0.00 0.00 58.31 57.60 1sjq n LYS 23 Cb 0.59 -5.03 -0.15 0.00 0.02 0.00 0.00 35.03 30.46 1sjq n LYS 23 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1sjq s LEU 24 N -5.87 2.41 -1.03 3.14 2.96 -1.22 -3.89 118.68 115.18 1sjq s LEU 24 Ca 0.18 -0.52 -0.22 0.00 -0.22 0.00 0.00 54.13 53.35 1sjq s LEU 24 Cb -0.10 -1.55 -0.10 0.00 0.50 0.00 0.00 46.19 44.94 1sjq s LEU 24 CO 0.22 0.05 1.92 -0.81 -1.32 0.00 0.00 176.35 176.41 1sjq n PRO 25 N 4.30 1.71 -0.69 0.98 -0.04 -1.26 -4.05 135.00 135.94 1sjq n PRO 25 Ca -0.19 -2.27 -0.22 0.00 -0.04 0.00 0.00 63.50 60.78 1sjq n PRO 25 Cb 0.51 -3.37 0.00 0.00 -0.04 0.00 0.00 33.50 30.61 1sjq n PRO 25 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1sjq n ILE 26 N 6.89 0.11 -0.18 0.52 2.08 -1.26 -3.32 119.36 124.20 1sjq n ILE 26 Ca 0.47 -0.27 0.00 0.00 0.56 0.00 0.00 62.75 63.51 1sjq n ILE 26 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.33 1sjq n ILE 26 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1sjq n ASP 27 N 1.34 -0.40 -3.84 4.38 5.75 -1.26 -4.94 116.55 117.58 1sjq n ASP 27 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.83 1sjq n ASP 27 Cb 0.24 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 1sjq n ASP 27 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1sjq n VAL 28 N -2.13 0.00 -4.48 2.12 0.31 -1.21 -5.04 118.33 107.90 1sjq n VAL 28 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 1sjq n VAL 28 Cb 0.00 -0.06 -0.13 0.00 -0.91 0.00 0.00 33.84 32.74 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 2.21 0.00 2.52 -4.23 -1.26 -5.07 115.64 109.82 1sjq s THR 29 Ca 0.00 -1.68 -0.10 0.00 -1.18 0.00 0.00 61.69 58.73 1sjq s THR 29 Cb 0.00 -1.94 -0.06 0.00 1.34 0.00 0.00 72.50 71.84 1sjq s THR 29 CO 0.00 0.14 0.84 -0.33 -0.54 0.00 0.00 174.62 174.73 1sjq h GLU 30 N 4.07 -0.36 -1.90 3.99 3.07 -1.98 -0.07 114.58 121.39 1sjq h GLU 30 Ca -0.50 0.02 0.55 0.00 -0.50 0.00 0.00 59.36 58.94 1sjq h GLU 30 Cb 1.17 0.08 -0.08 0.00 -0.84 0.00 0.00 28.75 29.08 1sjq h GLU 30 CO 0.40 -0.24 1.42 0.78 -1.40 0.00 0.00 179.01 179.96 1sjq h GLY 31 N -0.50 0.00 0.00 -3.84 0.00 -1.97 0.55 103.07 97.31 1sjq h GLY 31 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1sjq h GLY 31 CO 0.06 0.00 -0.11 0.83 0.00 0.00 0.00 176.54 177.32 1sjq h GLU 32 N 0.00 0.00 0.02 4.80 3.07 -1.95 -2.35 114.58 118.17 1sjq h GLU 32 Ca 0.90 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.79 1sjq h GLU 32 Cb 3.73 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 31.60 1sjq h GLU 32 CO -0.01 0.00 -0.21 0.28 -1.40 0.00 0.00 179.01 177.67 1sjq h VAL 33 N -0.88 0.51 -0.34 3.13 2.07 0.10 -1.51 116.25 119.33 1sjq h VAL 33 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1sjq h VAL 33 Cb 0.11 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1sjq h VAL 33 CO 0.00 0.00 0.07 0.40 0.02 0.00 0.00 177.57 178.06 1sjq h ILE 34 N -0.35 1.16 -0.96 4.57 5.03 -0.20 -1.87 117.51 124.89 1sjq h ILE 34 Ca 0.05 -0.58 0.22 0.00 -0.12 0.00 0.00 64.86 64.43 1sjq h ILE 34 Cb 0.42 0.83 -0.08 0.00 -3.03 0.00 0.00 36.82 34.96 1sjq h ILE 34 CO -0.18 0.21 0.62 0.28 -0.68 0.00 0.00 178.15 178.40 1sjq h SER 35 N 0.48 0.49 -0.10 1.72 0.02 -0.70 1.47 113.55 116.93 1sjq h SER 35 Ca 0.11 0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 1sjq h SER 35 Cb 0.20 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 1sjq h SER 35 CO -0.00 0.17 -0.15 -0.07 -1.14 0.00 0.00 176.83 175.64 1sjq h LEU 36 N 0.47 0.31 -0.23 5.07 3.38 -1.06 -3.06 115.31 120.20 1sjq h LEU 36 Ca 0.52 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sjq h LEU 36 Cb 1.21 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1sjq h LEU 36 CO -0.24 0.77 0.00 0.61 0.09 0.00 0.00 178.44 179.67 1sjq n GLY 37 N 0.32 -1.47 0.46 0.83 0.00 0.16 -3.86 105.19 101.63 1sjq n GLY 37 Ca -0.07 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 -1.68 -1.45 0.99 5.85 0.20 -1.15 115.31 118.08 1sjq h LEU 38 Ca 0.00 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1sjq h LEU 38 Cb 0.54 0.65 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 1sjq h LEU 38 CO 0.00 -0.48 0.27 1.55 -0.34 0.00 0.00 178.44 179.44 1sjq h PRO 39 N -0.58 0.64 0.00 5.25 0.13 -1.73 -0.85 132.00 134.86 1sjq h PRO 39 Ca 0.03 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1sjq h PRO 39 Cb 0.67 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1sjq h PRO 39 CO -0.41 0.47 0.00 1.19 -0.23 0.00 0.00 178.00 179.01 1sjq n PHE 40 N -4.43 0.38 0.00 1.56 3.01 -0.50 -4.91 117.46 112.57 1sjq n PHE 40 Ca 0.04 0.18 0.00 0.00 1.01 0.00 0.00 57.45 58.68 1sjq n PHE 40 Cb 0.09 -0.79 0.00 0.00 -0.01 0.00 0.00 39.48 38.77 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 -0.94 0.11 3.27 1.37 0.00 -0.33 -3.97 105.19 104.70 1sjq n GLY 41 Ca 0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 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 0.71 -0.26 1.61 1.02 -1.26 -4.69 119.74 116.88 1sjq s LYS 42 Ca 0.00 -0.16 -0.09 0.00 0.02 0.00 0.00 55.97 55.73 1sjq s LYS 42 Cb 0.00 0.32 -0.04 0.00 -0.52 0.00 0.00 37.83 37.59 1sjq s LYS 42 CO 0.00 -0.20 0.13 0.08 -0.92 0.00 0.00 175.35 174.44 1sjq s VAL 43 N -1.37 4.90 -1.89 3.17 1.01 -1.26 -3.33 120.40 121.63 1sjq s VAL 43 Ca -0.13 0.03 0.20 0.00 0.00 0.00 0.00 61.98 62.08 1sjq s VAL 43 Cb -0.05 -3.31 0.50 0.00 0.00 0.00 0.00 36.38 33.53 1sjq s VAL 43 CO 0.04 0.31 1.42 0.35 0.00 0.00 0.00 175.10 177.22 1sjq n THR 44 N 4.83 0.82 0.00 3.92 -2.24 -0.02 -4.93 114.28 116.66 1sjq n THR 44 Ca -0.15 -0.91 0.00 0.00 -2.27 0.00 0.00 64.05 60.72 1sjq n THR 44 Cb 0.52 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 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 1.36 0.00 -3.78 3.42 5.15 -1.19 -4.61 115.26 115.61 1sjq n ASN 45 Ca 0.20 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 54.04 1sjq n ASN 45 Cb 0.57 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.66 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 1.13 -0.01 1.20 2.96 -1.26 -2.48 118.68 120.22 1sjq s LEU 46 Ca 0.00 0.07 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 1sjq s LEU 46 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 46.19 46.70 1sjq s LEU 46 CO 0.00 -0.12 -0.04 -0.22 -1.32 0.00 0.00 176.35 174.65 1sjq s LEU 47 N 0.96 1.81 -0.41 -0.68 2.96 -0.25 -5.00 118.68 118.08 1sjq s LEU 47 Ca -0.08 -0.09 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 1sjq s LEU 47 Cb -0.11 -0.27 0.12 0.00 0.50 0.00 0.00 46.19 46.42 1sjq s LEU 47 CO -0.03 0.02 0.16 -0.04 -1.32 0.00 0.00 176.35 175.15 1sjq s MET 48 N 0.17 1.39 -0.90 1.98 -1.94 -1.26 -0.26 119.30 118.49 1sjq s MET 48 Ca -0.02 -1.93 -0.24 0.00 -1.71 0.00 0.00 55.69 51.79 1sjq s MET 48 Cb -0.05 -2.75 0.01 0.00 2.01 0.00 0.00 34.83 34.05 1sjq s MET 48 CO -0.00 -1.05 1.58 -1.17 -0.01 0.00 0.00 175.02 174.37 1sjq s LEU 49 N 0.60 3.33 0.89 -0.03 2.96 -0.44 -4.70 118.68 121.30 1sjq s LEU 49 Ca 0.14 -0.89 -0.11 0.00 -0.22 0.00 0.00 54.13 53.06 1sjq s LEU 49 Cb -0.22 -2.56 0.13 0.00 0.50 0.00 0.00 46.19 44.04 1sjq s LEU 49 CO -0.07 -1.97 1.16 -0.54 -1.32 0.00 0.00 176.35 173.61 1sjq s LYS 50 N 5.84 1.16 0.00 1.98 -0.14 -1.26 -3.06 119.74 124.26 1sjq s LYS 50 Ca 0.52 1.58 0.00 0.00 -1.36 0.00 0.00 55.97 56.71 1sjq s LYS 50 Cb -0.04 -1.74 0.00 0.00 -1.68 0.00 0.00 37.83 34.36 1sjq s LYS 50 CO 0.00 -2.53 0.00 0.41 -0.76 0.00 0.00 175.35 172.47 1sjq n GLY 51 N 0.23 1.99 0.02 -3.33 0.00 -1.26 -4.58 105.19 98.25 1sjq n GLY 51 Ca 0.12 -0.65 0.14 0.00 0.00 0.00 0.00 46.02 45.63 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 0.14 -2.89 1.61 5.02 -1.26 -4.94 118.16 115.84 1sjq n LYS 52 Ca 0.00 -0.03 -0.11 0.00 -2.02 0.00 0.00 58.31 56.15 1sjq n LYS 52 Cb 0.00 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.56 1sjq n LYS 52 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1sjq n ASN 53 N -1.40 -2.66 -3.98 4.39 5.03 -1.23 -4.94 115.26 110.46 1sjq n ASN 53 Ca 0.08 -0.34 -0.25 0.00 0.87 0.00 0.00 54.58 54.95 1sjq n ASN 53 Cb 0.32 -3.11 -0.17 0.00 -1.02 0.00 0.00 39.78 35.80 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 -5.02 1.56 0.28 3.52 -0.21 -1.17 -3.39 119.66 115.23 1sjq s GLN 54 Ca 0.09 -0.33 0.08 0.00 0.02 0.00 0.00 55.36 55.21 1sjq s GLN 54 Cb -0.04 -1.40 -0.04 0.00 1.00 0.00 0.00 33.01 32.53 1sjq s GLN 54 CO 0.41 -0.07 0.13 0.00 -2.12 0.00 0.00 175.29 173.65 1sjq s ALA 55 N 1.00 3.46 -0.10 6.09 0.00 -1.09 -1.32 121.76 129.80 1sjq s ALA 55 Ca -0.08 -1.59 -0.03 0.00 0.00 0.00 0.00 51.96 50.25 1sjq s ALA 55 Cb -0.15 -1.02 0.05 0.00 0.00 0.00 0.00 23.12 22.00 1sjq s ALA 55 CO -0.00 0.19 0.10 -0.06 0.00 0.00 0.00 175.76 175.99 1sjq s PHE 56 N -2.26 0.04 -0.05 0.00 0.40 0.64 -0.79 117.98 115.96 1sjq s PHE 56 Ca 0.34 0.12 0.03 0.00 -0.60 0.00 0.00 56.93 56.82 1sjq s PHE 56 Cb -0.06 -0.51 -0.03 0.00 0.51 0.00 0.00 43.02 42.93 1sjq s PHE 56 CO 0.23 -0.34 -0.11 0.96 0.70 0.00 0.00 175.22 176.66 1sjq s ILE 57 N 2.19 3.31 -0.47 0.64 -4.36 -1.11 -1.09 121.20 120.31 1sjq s ILE 57 Ca 0.04 -0.67 -0.12 0.00 -0.26 0.00 0.00 60.65 59.63 1sjq s ILE 57 Cb -0.14 -2.33 0.10 0.00 1.25 0.00 0.00 42.46 41.34 1sjq s ILE 57 CO -0.06 0.56 0.36 -0.70 0.24 0.00 0.00 174.94 175.34 1sjq s GLU 58 N -0.86 2.76 0.43 0.37 2.12 -1.03 -0.45 118.70 122.04 1sjq s GLU 58 Ca 0.12 -1.54 -0.23 0.00 0.36 0.00 0.00 54.97 53.69 1sjq s GLU 58 Cb -0.11 -4.01 -0.09 0.00 0.26 0.00 0.00 34.13 30.18 1sjq s GLU 58 CO 0.02 -1.10 1.06 -1.64 -0.54 0.00 0.00 175.26 173.05 1sjq s MET 59 N 1.51 4.00 0.03 4.30 -1.94 0.91 -0.84 119.30 127.27 1sjq s MET 59 Ca 0.04 1.48 -0.27 0.00 -1.71 0.00 0.00 55.69 55.23 1sjq s MET 59 Cb -0.25 -2.38 -0.17 0.00 2.01 0.00 0.00 34.83 34.04 1sjq s MET 59 CO 0.03 -0.28 1.38 -0.91 -0.01 0.00 0.00 175.02 175.24 1sjq h ASN 60 N 2.14 -0.47 -1.54 3.03 4.21 -1.87 -3.45 115.58 117.62 1sjq h ASN 60 Ca -0.49 -0.09 -0.50 0.00 1.21 0.00 0.00 56.30 56.43 1sjq h ASN 60 Cb 1.22 0.12 -0.04 0.00 -1.12 0.00 0.00 38.32 38.50 1sjq h ASN 60 CO 0.61 -0.18 -0.40 0.28 -1.29 0.00 0.00 177.43 176.45 1sjq s THR 61 N -5.20 2.63 -0.00 2.81 -1.32 -1.26 -5.05 115.64 108.24 1sjq s THR 61 Ca -0.15 -1.40 -0.23 0.00 -1.21 0.00 0.00 61.69 58.69 1sjq s THR 61 Cb 0.03 -3.00 -0.19 0.00 -1.51 0.00 0.00 72.50 67.83 1sjq s THR 61 CO 0.57 -0.01 1.24 -0.33 -2.21 0.00 0.00 174.62 173.88 1sjq h GLU 62 N 1.10 0.20 -1.06 7.08 5.08 -1.89 -2.98 114.58 122.12 1sjq h GLU 62 Ca -0.42 -0.13 0.30 0.00 -1.00 0.00 0.00 59.36 58.11 1sjq h GLU 62 Cb 1.26 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.47 1sjq h GLU 62 CO 0.59 0.71 0.74 0.93 -1.00 0.00 0.00 179.01 180.99 1sjq h GLU 63 N -0.29 0.10 0.08 2.33 5.08 -1.94 0.23 114.58 120.17 1sjq h GLU 63 Ca 0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1sjq h GLU 63 Cb 0.70 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1sjq h GLU 63 CO 0.03 0.07 -0.04 0.00 -1.00 0.00 0.00 179.01 178.07 1sjq h ALA 64 N 1.50 -0.10 0.26 3.43 0.00 -1.66 -2.95 119.26 119.74 1sjq h ALA 64 Ca 0.53 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1sjq h ALA 64 Cb 1.89 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1sjq h ALA 64 CO -0.08 -0.29 -0.12 0.00 0.00 0.00 0.00 179.25 178.76 1sjq h ALA 65 N 0.21 -0.74 -0.90 0.00 0.00 -0.78 -2.06 119.26 114.99 1sjq h ALA 65 Ca -0.01 -0.08 0.27 0.00 0.00 0.00 0.00 54.91 55.10 1sjq h ALA 65 Cb 0.52 0.13 -0.17 0.00 0.00 0.00 0.00 17.79 18.28 1sjq h ALA 65 CO 0.02 -0.71 0.11 0.09 0.00 0.00 0.00 179.25 178.75 1sjq n ASN 66 N -3.31 -0.02 0.15 0.00 3.02 0.58 0.21 115.26 115.89 1sjq n ASN 66 Ca -0.04 1.52 -0.14 0.00 -0.03 0.00 0.00 54.58 55.89 1sjq n ASN 66 Cb 0.14 -0.59 -0.08 0.00 -0.61 0.00 0.00 39.78 38.64 1sjq n ASN 66 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1sjq h THR 67 N 0.00 0.78 -0.45 3.41 2.02 -1.55 -0.03 112.91 117.10 1sjq h THR 67 Ca 0.59 -0.44 0.04 0.00 0.77 0.00 0.00 66.41 67.36 1sjq h THR 67 Cb 1.29 1.02 -0.05 0.00 -1.74 0.00 0.00 68.15 68.67 1sjq h THR 67 CO -0.81 0.09 -0.26 0.80 0.37 0.00 0.00 175.52 175.71 1sjq n MET 68 N -5.15 -0.20 -0.06 6.66 0.00 0.13 0.22 117.12 118.73 1sjq n MET 68 Ca -0.10 1.00 -0.12 0.00 0.00 0.00 0.00 57.70 58.48 1sjq n MET 68 Cb 0.23 -1.47 -0.07 0.00 0.00 0.00 0.00 33.22 31.91 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 1.32 -0.19 1.12 2.07 -1.57 -1.66 116.25 117.33 1sjq h VAL 69 Ca 0.07 -1.13 0.02 0.00 0.82 0.00 0.00 66.70 66.48 1sjq h VAL 69 Cb 0.18 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 1sjq h VAL 69 CO -0.42 0.33 -0.31 0.78 0.02 0.00 0.00 177.57 177.97 1sjq h ASN 70 N -0.00 -1.03 -0.69 0.57 2.35 0.90 1.13 115.58 118.81 1sjq h ASN 70 Ca 0.03 0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.89 1sjq h ASN 70 Cb 0.56 0.42 -0.03 0.00 0.05 0.00 0.00 38.32 39.31 1sjq h ASN 70 CO 0.02 -0.24 0.34 0.22 -1.65 0.00 0.00 177.43 176.12 1sjq h TYR 71 N -0.25 1.01 -0.23 1.19 3.20 -0.33 -1.48 116.97 120.08 1sjq h TYR 71 Ca 0.04 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1sjq h TYR 71 Cb 0.34 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.30 1sjq h TYR 71 CO -0.64 0.73 0.00 0.66 -1.64 0.00 0.00 178.16 177.28 1sjq n TYR 72 N -4.33 0.80 0.07 -3.82 4.01 -0.62 -3.42 117.16 109.85 1sjq n TYR 72 Ca 0.07 -0.28 -0.16 0.00 -0.16 0.00 0.00 57.90 57.37 1sjq n TYR 72 Cb 0.14 -0.25 -0.14 0.00 -0.31 0.00 0.00 39.34 38.77 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 1.56 1.20 0.00 -0.72 2.02 0.24 -3.35 112.91 113.86 1sjq h THR 73 Ca 0.00 -2.84 -0.13 0.00 0.77 0.00 0.00 66.41 64.20 1sjq h THR 73 Cb 1.06 2.78 -0.02 0.00 -1.74 0.00 0.00 68.15 70.22 1sjq h THR 73 CO 0.19 0.82 -1.50 -0.24 0.37 0.00 0.00 175.52 175.16 1sjq n SER 74 N -3.45 3.18 -4.75 4.18 2.88 -1.25 -5.01 113.62 109.40 1sjq n SER 74 Ca -0.15 -0.04 -0.40 0.00 -1.33 0.00 0.00 58.87 56.95 1sjq n SER 74 Cb 1.04 -0.14 -0.04 0.00 -0.75 0.00 0.00 64.21 64.31 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 -2.17 3.69 -0.40 2.46 1.01 -1.22 -5.01 120.40 118.76 1sjq s VAL 75 Ca -0.12 1.62 -0.21 0.00 0.00 0.00 0.00 61.98 63.27 1sjq s VAL 75 Cb 0.03 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.39 1sjq s VAL 75 CO 0.20 0.35 0.68 -0.89 0.00 0.00 0.00 175.10 175.44 1sjq s THR 76 N -0.86 4.81 -0.42 3.92 2.01 -1.26 -4.61 115.64 119.23 1sjq s THR 76 Ca 0.46 0.41 -0.16 0.00 0.31 0.00 0.00 61.69 62.71 1sjq s THR 76 Cb -0.30 -4.18 0.02 0.00 0.01 0.00 0.00 72.50 68.05 1sjq s THR 76 CO 0.38 -0.50 0.39 -2.16 -0.69 0.00 0.00 174.62 172.03 1sjq s PRO 77 N 2.90 3.04 0.22 4.92 0.04 -1.26 -4.97 135.00 139.89 1sjq s PRO 77 Ca 0.25 -0.89 0.08 0.00 0.04 0.00 0.00 61.00 60.48 1sjq s PRO 77 Cb -0.14 -3.99 -0.04 0.00 0.04 0.00 0.00 34.50 30.38 1sjq s PRO 77 CO 0.18 -0.84 0.03 0.14 0.04 0.00 0.00 177.00 176.56 1sjq s VAL 78 N 1.95 3.76 -0.46 -0.36 -7.23 -1.26 -0.94 120.40 115.86 1sjq s VAL 78 Ca 0.09 -1.60 -0.09 0.00 -1.81 0.00 0.00 61.98 58.57 1sjq s VAL 78 Cb -0.18 -2.96 0.11 0.00 0.56 0.00 0.00 36.38 33.91 1sjq s VAL 78 CO 0.12 -0.25 0.32 -0.22 -0.31 0.00 0.00 175.10 174.76 1sjq s LEU 79 N -3.38 5.57 0.00 1.32 1.98 -0.12 -4.79 118.68 119.26 1sjq s LEU 79 Ca 0.30 -1.85 0.00 0.00 -2.89 0.00 0.00 54.13 49.69 1sjq s LEU 79 Cb -0.08 -1.99 0.00 0.00 0.66 0.00 0.00 46.19 44.78 1sjq s LEU 79 CO 0.20 -0.66 0.00 -1.14 -1.89 0.00 0.00 176.35 172.87 1sjq n ARG 80 N 4.89 0.00 -0.62 1.98 3.00 -1.26 -2.36 116.66 122.28 1sjq n ARG 80 Ca -0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.75 1sjq n ARG 80 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.85 1sjq n ARG 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1sjq n GLY 81 N 0.00 0.55 2.82 5.14 0.00 -1.26 -5.09 105.19 107.34 1sjq n GLY 81 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 1.01 -0.06 1.61 2.00 -1.00 -5.10 119.66 118.12 1sjq s GLN 82 Ca 0.00 -1.00 -0.29 0.00 -2.00 0.00 0.00 55.36 52.06 1sjq s GLN 82 Cb 0.00 -2.29 -0.06 0.00 0.80 0.00 0.00 33.01 31.45 1sjq s GLN 82 CO 0.00 -0.81 1.87 -1.25 -0.50 0.00 0.00 175.29 174.59 1sjq s PRO 83 N 1.53 3.95 -0.19 1.67 0.04 -1.26 -0.95 135.00 139.79 1sjq s PRO 83 Ca 0.04 2.27 -0.02 0.00 0.04 0.00 0.00 61.00 63.33 1sjq s PRO 83 Cb -0.18 -4.13 0.06 0.00 0.04 0.00 0.00 34.50 30.29 1sjq s PRO 83 CO -0.15 -1.15 -0.00 0.96 0.04 0.00 0.00 177.00 176.70 1sjq s ILE 84 N 5.02 0.85 0.77 0.56 -4.36 -0.12 -4.61 121.20 119.31 1sjq s ILE 84 Ca 0.84 -0.70 -0.12 0.00 -0.26 0.00 0.00 60.65 60.41 1sjq s ILE 84 Cb -0.36 -1.23 0.05 0.00 1.25 0.00 0.00 42.46 42.17 1sjq s ILE 84 CO 0.35 -0.11 1.11 -0.31 0.24 0.00 0.00 174.94 176.22 1sjq s TYR 85 N 1.72 3.05 0.02 1.37 2.02 -0.64 -4.20 117.35 120.67 1sjq s TYR 85 Ca -0.02 1.03 0.08 0.00 -0.37 0.00 0.00 57.07 57.80 1sjq s TYR 85 Cb -0.17 -3.17 -0.03 0.00 -0.40 0.00 0.00 41.96 38.20 1sjq s TYR 85 CO -0.07 -1.55 -0.25 0.42 -1.57 0.00 0.00 175.55 172.53 1sjq s ILE 86 N -3.31 2.18 0.22 2.71 -1.09 -1.26 -1.75 121.20 118.90 1sjq s ILE 86 Ca 0.60 -1.25 -0.02 0.00 -2.23 0.00 0.00 60.65 57.75 1sjq s ILE 86 Cb -0.12 -1.82 -0.03 0.00 -1.58 0.00 0.00 42.46 38.91 1sjq s ILE 86 CO 0.52 0.46 0.20 -1.10 -1.23 0.00 0.00 174.94 173.79 1sjq s GLN 87 N -0.99 1.30 0.56 2.79 -1.52 0.50 -4.70 119.66 117.61 1sjq s GLN 87 Ca 0.11 -1.60 -0.01 0.00 -1.95 0.00 0.00 55.36 51.91 1sjq s GLN 87 Cb -0.10 0.31 0.03 0.00 -0.22 0.00 0.00 33.01 33.03 1sjq s GLN 87 CO 0.01 -0.45 0.81 -0.06 -0.25 0.00 0.00 175.29 175.35 1sjq s PHE 88 N -4.07 2.97 0.18 0.91 0.08 -1.26 0.25 117.98 117.04 1sjq s PHE 88 Ca 0.36 0.18 -0.08 0.00 0.12 0.00 0.00 56.93 57.51 1sjq s PHE 88 Cb 0.05 -2.75 -0.01 0.00 -0.57 0.00 0.00 43.02 39.74 1sjq s PHE 88 CO 0.13 -0.88 0.28 0.45 -0.10 0.00 0.00 175.22 175.10 1sjq s SER 89 N -4.39 0.05 -0.30 1.36 0.15 -1.10 -3.75 113.70 105.71 1sjq s SER 89 Ca 0.56 -0.95 0.01 0.00 0.70 0.00 0.00 55.95 56.27 1sjq s SER 89 Cb -0.10 0.44 0.04 0.00 -1.71 0.00 0.00 66.02 64.69 1sjq s SER 89 CO 0.40 -0.91 1.03 -3.20 1.20 0.00 0.00 173.24 171.75 1sjq n ASN 90 N -0.24 -1.07 0.00 5.45 5.15 -1.26 -4.63 115.26 118.66 1sjq n ASN 90 Ca -0.06 -1.58 0.00 0.00 -0.60 0.00 0.00 54.58 52.34 1sjq n ASN 90 Cb 0.63 0.98 0.00 0.00 -0.53 0.00 0.00 39.78 40.87 1sjq n ASN 90 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1sjq n HIS 91 N -0.50 0.00 -0.86 1.20 8.25 -1.26 -4.94 115.22 117.11 1sjq n HIS 91 Ca -0.29 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 56.97 1sjq n HIS 91 Cb 0.63 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.68 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 -0.98 2.20 -1.22 -0.41 0.00 -1.26 -4.93 118.16 111.57 1sjq n LYS 92 Ca 0.00 -1.34 -0.38 0.00 -0.00 0.00 0.00 58.31 56.59 1sjq n LYS 92 Cb 0.00 -2.30 0.03 0.00 -0.00 0.00 0.00 35.03 32.76 1sjq n LYS 92 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1sjq n GLU 93 N 3.46 0.10 -4.39 -1.58 -0.58 -1.26 -4.95 120.64 111.43 1sjq n GLU 93 Ca 0.47 0.04 -0.34 0.00 -0.42 0.00 0.00 57.16 56.91 1sjq n GLU 93 Cb 0.36 -1.21 -0.13 0.00 -0.57 0.00 0.00 31.44 29.89 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 4.29 3.05 0.49 -4.62 1.02 -1.26 -5.09 118.68 116.56 1sjq s LEU 94 Ca 0.56 -0.23 -0.22 0.00 0.02 0.00 0.00 54.13 54.26 1sjq s LEU 94 Cb -0.40 -1.73 -0.08 0.00 0.02 0.00 0.00 46.19 43.99 1sjq s LEU 94 CO 0.67 0.13 1.07 2.29 0.02 0.00 0.00 176.35 180.53 1sjq n LYS 95 N 3.80 1.34 -2.81 1.70 2.85 -1.26 -4.93 118.16 118.84 1sjq n LYS 95 Ca -0.18 0.49 -0.41 0.00 -1.05 0.00 0.00 58.31 57.16 1sjq n LYS 95 Cb 0.52 -2.19 -0.03 0.00 -0.65 0.00 0.00 35.03 32.68 1sjq n LYS 95 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1sjq s THR 96 N -1.34 4.91 0.24 0.58 -4.23 -1.26 -5.01 115.64 109.52 1sjq s THR 96 Ca 0.67 1.86 -0.21 0.00 -1.18 0.00 0.00 61.69 62.83 1sjq s THR 96 Cb -0.49 -4.23 0.06 0.00 1.34 0.00 0.00 72.50 69.18 1sjq s THR 96 CO 0.53 0.15 0.92 -0.62 -0.54 0.00 0.00 174.62 175.07 1sjq s ASP 97 N 0.98 -0.07 -0.03 3.99 -1.08 -1.26 -5.10 116.67 114.10 1sjq s ASP 97 Ca 0.47 -0.72 -0.00 0.00 -0.52 0.00 0.00 52.55 51.77 1sjq s ASP 97 Cb -0.19 0.61 -0.00 0.00 -1.46 0.00 0.00 42.92 41.88 1sjq s ASP 97 CO 0.23 -1.19 0.00 0.77 0.52 0.00 0.00 175.17 175.50 1sjq h SER 98 N 2.00 -0.00 -0.02 -0.34 4.64 -1.95 -3.45 113.55 114.43 1sjq h SER 98 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1sjq h SER 98 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1sjq h SER 98 CO 0.33 0.17 0.00 -1.54 -0.87 0.00 0.00 176.83 174.92