#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 0.49 3.37 0.23 0.00 -1.26 -5.09 105.19 102.94 1sjq n GLY 13 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1sjq n GLY 13 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sjq s VAL 14 N 0.71 2.89 0.10 1.61 -7.23 -1.26 -5.08 120.40 112.13 1sjq s VAL 14 Ca 0.00 -0.74 -0.36 0.00 -1.81 0.00 0.00 61.98 59.07 1sjq s VAL 14 Cb 0.00 -2.18 -0.16 0.00 0.56 0.00 0.00 36.38 34.61 1sjq s VAL 14 CO 0.00 0.54 1.43 -2.65 -0.31 0.00 0.00 175.10 174.12 1sjq n PRO 15 N 3.23 1.48 0.00 4.82 -0.02 -1.26 -4.89 135.00 138.36 1sjq n PRO 15 Ca -0.18 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1sjq n PRO 15 Cb 0.53 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1sjq n PRO 15 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1sjq n SER 16 N 2.93 0.00 0.11 2.55 2.88 -1.26 -4.97 113.62 115.87 1sjq n SER 16 Ca 0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 1sjq n SER 16 Cb 0.22 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 1sjq n SER 16 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1sjq n ARG 17 N 0.00 0.00 -2.92 -1.46 0.63 -1.25 -4.52 116.66 107.14 1sjq n ARG 17 Ca 0.00 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.50 1sjq n ARG 17 Cb 0.00 -0.03 -0.05 0.00 0.45 0.00 0.00 32.46 32.84 1sjq n ARG 17 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1sjq s VAL 18 N -2.00 4.51 -0.29 5.15 0.11 -1.25 -2.62 120.40 124.01 1sjq s VAL 18 Ca 0.00 -0.01 -0.26 0.00 -2.93 0.00 0.00 61.98 58.79 1sjq s VAL 18 Cb 0.00 -4.50 0.00 0.00 -1.53 0.00 0.00 36.38 30.36 1sjq s VAL 18 CO 0.00 -1.08 0.89 -0.63 -3.33 0.00 0.00 175.10 170.95 1sjq s ILE 19 N 3.61 4.73 0.44 7.04 -1.09 -0.75 -4.31 121.20 130.86 1sjq s ILE 19 Ca 0.25 1.49 -0.15 0.00 -2.23 0.00 0.00 60.65 60.00 1sjq s ILE 19 Cb -0.15 -4.22 -0.08 0.00 -1.58 0.00 0.00 42.46 36.43 1sjq s ILE 19 CO 0.16 -0.25 0.88 -2.28 -1.23 0.00 0.00 174.94 172.22 1sjq s HIS 20 N 3.11 3.42 -0.24 3.97 2.46 -0.49 -2.25 115.29 125.27 1sjq s HIS 20 Ca 0.37 1.34 0.02 0.00 0.47 0.00 0.00 55.06 57.26 1sjq s HIS 20 Cb -0.14 -2.67 0.06 0.00 -0.13 0.00 0.00 32.58 29.70 1sjq s HIS 20 CO 0.11 -0.18 -0.08 0.42 -2.47 0.00 0.00 174.74 172.54 1sjq s ILE 21 N -2.37 1.79 0.44 0.89 -1.09 0.17 -1.60 121.20 119.43 1sjq s ILE 21 Ca 0.57 -1.36 0.08 0.00 -2.23 0.00 0.00 60.65 57.71 1sjq s ILE 21 Cb -0.10 -1.97 0.02 0.00 -1.58 0.00 0.00 42.46 38.82 1sjq s ILE 21 CO 0.26 -0.04 0.58 -0.13 -1.23 0.00 0.00 174.94 174.38 1sjq s ARG 22 N 1.28 2.75 -1.77 2.79 1.81 0.22 -2.38 118.95 123.65 1sjq s ARG 22 Ca -0.07 -1.31 -0.20 0.00 -1.72 0.00 0.00 55.73 52.43 1sjq s ARG 22 Cb -0.19 -2.72 0.19 0.00 -0.45 0.00 0.00 34.95 31.78 1sjq s ARG 22 CO -0.06 -0.33 0.72 1.17 -0.68 0.00 0.00 175.30 176.11 1sjq n LYS 23 N -1.88 -2.25 -4.02 3.54 4.81 -1.26 -1.56 118.16 115.54 1sjq n LYS 23 Ca 0.09 0.29 -0.31 0.00 -0.87 0.00 0.00 58.31 57.50 1sjq n LYS 23 Cb 0.59 -4.95 -0.16 0.00 0.02 0.00 0.00 35.03 30.53 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 -7.26 2.05 -0.78 3.14 2.96 -1.24 -3.65 118.68 113.89 1sjq s LEU 24 Ca 0.77 -0.71 -0.25 0.00 -0.22 0.00 0.00 54.13 53.73 1sjq s LEU 24 Cb -0.43 -1.25 -0.19 0.00 0.50 0.00 0.00 46.19 44.82 1sjq s LEU 24 CO 0.97 -0.09 1.89 -0.81 -1.32 0.00 0.00 176.35 176.98 1sjq n PRO 25 N 4.71 1.08 -0.64 0.98 -0.04 -1.26 -4.14 135.00 135.68 1sjq n PRO 25 Ca -0.16 -1.85 -0.20 0.00 -0.04 0.00 0.00 63.50 61.24 1sjq n PRO 25 Cb 0.48 -3.20 0.00 0.00 -0.04 0.00 0.00 33.50 30.75 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 7.09 0.15 0.00 0.52 2.08 -1.26 -3.67 119.36 124.27 1sjq n ILE 26 Ca 0.47 -0.25 0.00 0.00 0.56 0.00 0.00 62.75 63.53 1sjq n ILE 26 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.32 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 1.22 0.00 -3.64 4.38 5.75 -1.26 -4.88 116.55 118.11 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 0.22 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 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 -1.92 0.00 -4.62 2.12 0.31 -1.24 -5.05 118.33 107.93 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 -0.11 -0.14 0.00 -0.91 0.00 0.00 33.84 32.68 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 1.66 0.02 2.52 -4.23 -1.26 -5.07 115.64 109.29 1sjq s THR 29 Ca 0.00 -1.21 -0.21 0.00 -1.18 0.00 0.00 61.69 59.09 1sjq s THR 29 Cb 0.00 -1.45 -0.11 0.00 1.34 0.00 0.00 72.50 72.28 1sjq s THR 29 CO 0.00 0.19 1.17 -0.33 -0.54 0.00 0.00 174.62 175.11 1sjq h GLU 30 N 4.83 -0.71 -1.86 3.99 5.08 -1.97 0.10 114.58 124.04 1sjq h GLU 30 Ca -0.43 0.05 0.55 0.00 -1.00 0.00 0.00 59.36 58.54 1sjq h GLU 30 Cb 1.16 0.16 -0.09 0.00 0.50 0.00 0.00 28.75 30.48 1sjq h GLU 30 CO 0.44 -0.47 1.32 0.41 -1.00 0.00 0.00 179.01 179.70 1sjq n GLY 31 N -0.97 -0.96 0.04 -3.84 0.00 -1.26 0.76 105.19 98.96 1sjq n GLY 31 Ca -0.09 0.70 -0.00 0.00 0.00 0.00 0.00 46.02 46.63 1sjq n GLY 31 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sjq h GLU 32 N 0.00 -0.02 0.48 1.61 4.39 -1.91 -2.70 114.58 116.43 1sjq h GLU 32 Ca 0.92 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.61 1sjq h GLU 32 Cb 3.59 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 32.24 1sjq h GLU 32 CO -0.09 -0.02 -0.35 0.28 -1.16 0.00 0.00 179.01 177.67 1sjq h VAL 33 N -0.63 0.00 -0.74 3.13 2.07 0.12 -2.76 116.25 117.43 1sjq h VAL 33 Ca -0.00 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.68 1sjq h VAL 33 Cb 0.02 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.66 1sjq h VAL 33 CO 0.00 0.00 0.01 0.40 0.02 0.00 0.00 177.57 178.01 1sjq h ILE 34 N -0.80 0.36 -0.86 4.57 2.04 0.12 0.40 117.51 123.35 1sjq h ILE 34 Ca -0.06 -0.04 0.17 0.00 1.00 0.00 0.00 64.86 65.92 1sjq h ILE 34 Cb 0.66 0.24 -0.16 0.00 -0.74 0.00 0.00 36.82 36.82 1sjq h ILE 34 CO 0.03 0.02 -0.24 0.28 0.00 0.00 0.00 178.15 178.24 1sjq h SER 35 N 0.11 -0.89 -0.37 1.72 0.02 -1.20 2.12 113.55 115.07 1sjq h SER 35 Ca 0.40 0.26 0.07 0.00 -0.84 0.00 0.00 61.79 61.69 1sjq h SER 35 Cb 0.71 0.56 -0.02 0.00 0.14 0.00 0.00 62.40 63.79 1sjq h SER 35 CO -0.65 -0.29 0.25 -0.07 -1.14 0.00 0.00 176.83 174.94 1sjq h LEU 36 N -0.01 0.16 0.00 5.07 4.07 -0.69 0.01 115.31 123.91 1sjq h LEU 36 Ca 0.40 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.36 1sjq h LEU 36 Cb 0.62 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.33 1sjq h LEU 36 CO -0.88 0.10 -0.86 0.61 -1.08 0.00 0.00 178.44 176.33 1sjq n GLY 37 N -1.56 -1.37 0.38 0.83 0.00 0.62 -4.31 105.19 99.78 1sjq n GLY 37 Ca 0.05 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 1sjq n GLY 37 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sjq h LEU 38 N 0.00 -1.29 -2.09 0.99 3.38 0.35 0.17 115.31 116.83 1sjq h LEU 38 Ca 0.00 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1sjq h LEU 38 Cb 0.82 0.55 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1sjq h LEU 38 CO 0.00 -0.39 0.00 1.55 0.09 0.00 0.00 178.44 179.69 1sjq h PRO 39 N -0.39 0.00 0.00 1.13 0.13 -1.75 -1.05 132.00 130.07 1sjq h PRO 39 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1sjq h PRO 39 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1sjq h PRO 39 CO -0.47 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 178.49 1sjq n PHE 40 N -2.87 0.89 0.00 1.56 3.01 0.56 -4.99 117.46 115.62 1sjq n PHE 40 Ca -0.01 0.28 0.00 0.00 1.01 0.00 0.00 57.45 58.73 1sjq n PHE 40 Cb 0.15 -0.96 0.00 0.00 -0.01 0.00 0.00 39.48 38.66 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 0.95 0.24 3.27 1.37 0.00 -0.40 -3.55 105.19 107.08 1sjq n GLY 41 Ca 0.05 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 0.69 -0.33 1.61 1.02 -1.26 -4.77 119.74 116.70 1sjq s LYS 42 Ca 0.00 -0.11 -0.13 0.00 0.02 0.00 0.00 55.97 55.75 1sjq s LYS 42 Cb 0.00 0.31 -0.02 0.00 -0.52 0.00 0.00 37.83 37.60 1sjq s LYS 42 CO 0.00 -0.19 0.23 0.08 -0.92 0.00 0.00 175.35 174.55 1sjq s VAL 43 N -1.23 5.28 -2.65 3.17 1.01 -1.26 -3.42 120.40 121.29 1sjq s VAL 43 Ca -0.13 -0.18 0.24 0.00 0.00 0.00 0.00 61.98 61.92 1sjq s VAL 43 Cb -0.05 -3.69 0.36 0.00 0.00 0.00 0.00 36.38 33.01 1sjq s VAL 43 CO 0.05 0.02 1.43 0.35 0.00 0.00 0.00 175.10 176.95 1sjq n THR 44 N 5.10 0.17 0.00 3.92 -2.24 0.34 -4.95 114.28 116.62 1sjq n THR 44 Ca -0.13 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1sjq n THR 44 Cb 0.50 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 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 1.02 0.00 -3.59 3.42 2.85 -1.20 -4.82 115.26 112.94 1sjq n ASN 45 Ca 0.17 0.00 -0.17 0.00 -0.11 0.00 0.00 54.58 54.46 1sjq n ASN 45 Cb 0.52 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.39 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 -0.10 -0.04 1.20 2.96 -1.26 0.14 118.68 121.59 1sjq s LEU 46 Ca 0.00 0.09 0.07 0.00 -0.22 0.00 0.00 54.13 54.07 1sjq s LEU 46 Cb 0.00 0.35 -0.02 0.00 0.50 0.00 0.00 46.19 47.02 1sjq s LEU 46 CO 0.00 -0.28 -0.25 -0.22 -1.32 0.00 0.00 176.35 174.28 1sjq s LEU 47 N 2.32 2.10 -0.34 -0.68 0.20 -0.27 -5.00 118.68 117.01 1sjq s LEU 47 Ca 0.04 -0.47 -0.00 0.00 0.69 0.00 0.00 54.13 54.39 1sjq s LEU 47 Cb -0.14 -1.37 0.09 0.00 -0.43 0.00 0.00 46.19 44.34 1sjq s LEU 47 CO -0.09 0.29 0.07 -0.04 -0.29 0.00 0.00 176.35 176.30 1sjq s MET 48 N -0.45 2.00 -0.89 1.98 -1.94 -1.26 -1.12 119.30 117.62 1sjq s MET 48 Ca 0.05 -1.63 -0.19 0.00 -1.71 0.00 0.00 55.69 52.21 1sjq s MET 48 Cb -0.11 -3.30 0.12 0.00 2.01 0.00 0.00 34.83 33.55 1sjq s MET 48 CO 0.01 -0.86 1.09 -1.17 -0.01 0.00 0.00 175.02 174.08 1sjq s LEU 49 N 1.10 4.99 0.58 -0.03 0.20 -0.97 -4.79 118.68 119.77 1sjq s LEU 49 Ca 0.03 -1.90 0.32 0.00 0.69 0.00 0.00 54.13 53.27 1sjq s LEU 49 Cb -0.21 -2.40 1.33 0.00 -0.43 0.00 0.00 46.19 44.48 1sjq s LEU 49 CO -0.04 -1.11 1.63 0.11 -0.29 0.00 0.00 176.35 176.64 1sjq h LYS 50 N 8.93 0.00 -6.17 1.98 6.56 -1.90 -3.12 116.57 122.85 1sjq h LYS 50 Ca 0.09 0.00 -0.57 0.00 -1.06 0.00 0.00 60.65 59.11 1sjq h LYS 50 Cb 1.03 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.64 1sjq h LYS 50 CO 1.11 0.00 0.86 0.20 -2.06 0.00 0.00 179.45 179.57 1sjq s GLY 51 N -3.73 1.62 0.00 3.86 0.00 -1.26 -2.96 107.32 104.85 1sjq s GLY 51 Ca -0.04 0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.92 1sjq s GLY 51 CO 0.61 2.36 0.00 0.28 0.00 0.00 0.00 173.10 176.35 1sjq n LYS 52 N 6.62 0.00 -3.11 2.90 5.02 -1.26 -4.19 118.16 124.13 1sjq n LYS 52 Ca 0.13 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.28 1sjq n LYS 52 Cb 0.46 -1.11 0.07 0.00 -0.02 0.00 0.00 35.03 34.42 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 0.00 -5.70 -3.85 4.39 5.03 -1.16 -4.95 115.26 109.03 1sjq n ASN 53 Ca 0.00 -0.63 -0.16 0.00 0.87 0.00 0.00 54.58 54.66 1sjq n ASN 53 Cb 0.00 -4.76 -0.16 0.00 -1.02 0.00 0.00 39.78 33.84 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 -4.38 0.29 0.29 3.52 -1.52 -1.18 -3.69 119.66 112.99 1sjq s GLN 54 Ca 0.36 0.01 0.08 0.00 -1.95 0.00 0.00 55.36 53.87 1sjq s GLN 54 Cb -0.05 -0.40 -0.04 0.00 -0.22 0.00 0.00 33.01 32.30 1sjq s GLN 54 CO 0.67 -0.07 0.14 0.00 -0.25 0.00 0.00 175.29 175.78 1sjq s ALA 55 N 0.66 3.48 -0.13 6.09 0.00 -1.00 -2.29 121.76 128.57 1sjq s ALA 55 Ca -0.07 -1.60 -0.04 0.00 0.00 0.00 0.00 51.96 50.25 1sjq s ALA 55 Cb -0.10 -1.01 0.06 0.00 0.00 0.00 0.00 23.12 22.07 1sjq s ALA 55 CO -0.01 0.18 0.18 -0.06 0.00 0.00 0.00 175.76 176.04 1sjq s PHE 56 N -2.27 -0.18 0.18 0.00 0.40 -0.28 -0.65 117.98 115.17 1sjq s PHE 56 Ca 0.35 0.41 0.07 0.00 -0.60 0.00 0.00 56.93 57.16 1sjq s PHE 56 Cb -0.06 -0.33 -0.04 0.00 0.51 0.00 0.00 43.02 43.10 1sjq s PHE 56 CO 0.23 -0.40 0.03 0.96 0.70 0.00 0.00 175.22 176.73 1sjq s ILE 57 N 2.29 3.86 -0.28 0.64 -4.36 -0.95 -1.11 121.20 121.30 1sjq s ILE 57 Ca 0.04 -1.38 -0.00 0.00 -0.26 0.00 0.00 60.65 59.05 1sjq s ILE 57 Cb -0.14 -2.95 0.05 0.00 1.25 0.00 0.00 42.46 40.67 1sjq s ILE 57 CO -0.08 -0.12 -0.05 -1.61 0.24 0.00 0.00 174.94 173.32 1sjq s GLU 58 N -3.01 2.47 0.18 0.37 0.41 0.12 -1.81 118.70 117.42 1sjq s GLU 58 Ca 0.28 -1.22 -0.30 0.00 -0.41 0.00 0.00 54.97 53.32 1sjq s GLU 58 Cb -0.09 -3.05 -0.07 0.00 -1.78 0.00 0.00 34.13 29.13 1sjq s GLU 58 CO 0.20 -0.56 0.94 -1.64 -0.49 0.00 0.00 175.26 173.71 1sjq s MET 59 N 1.23 4.77 0.17 1.61 -1.94 -1.08 0.13 119.30 124.19 1sjq s MET 59 Ca -0.05 1.46 -0.11 0.00 -1.71 0.00 0.00 55.69 55.28 1sjq s MET 59 Cb -0.19 -3.33 0.05 0.00 2.01 0.00 0.00 34.83 33.38 1sjq s MET 59 CO -0.03 0.37 1.65 -0.91 -0.01 0.00 0.00 175.02 176.09 1sjq h ASN 60 N 4.84 0.94 -0.65 3.03 4.21 -1.91 -3.46 115.58 122.58 1sjq h ASN 60 Ca -0.44 -0.27 -0.66 0.00 1.21 0.00 0.00 56.30 56.13 1sjq h ASN 60 Cb 1.21 -0.25 -0.12 0.00 -1.12 0.00 0.00 38.32 38.03 1sjq h ASN 60 CO 0.70 0.98 -0.52 0.28 -1.29 0.00 0.00 177.43 177.58 1sjq s THR 61 N -5.15 1.38 -0.07 2.81 -1.32 -1.26 -5.07 115.64 106.96 1sjq s THR 61 Ca -0.12 -1.96 -0.27 0.00 -1.21 0.00 0.00 61.69 58.13 1sjq s THR 61 Cb 0.13 -2.34 -0.22 0.00 -1.51 0.00 0.00 72.50 68.56 1sjq s THR 61 CO 0.83 0.00 1.05 -0.33 -2.21 0.00 0.00 174.62 173.96 1sjq h GLU 62 N 1.40 -0.02 -1.30 7.08 3.07 -1.88 -3.05 114.58 119.88 1sjq h GLU 62 Ca -0.44 0.00 0.38 0.00 -0.50 0.00 0.00 59.36 58.80 1sjq h GLU 62 Cb 1.30 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.16 1sjq h GLU 62 CO 0.74 0.65 0.99 0.93 -1.40 0.00 0.00 179.01 180.92 1sjq h GLU 63 N -0.70 0.00 0.02 2.33 5.08 -1.91 0.24 114.58 119.64 1sjq h GLU 63 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1sjq h GLU 63 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1sjq h GLU 63 CO 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 179.01 178.00 1sjq h ALA 64 N 1.25 -0.03 0.73 3.43 0.00 -1.59 -2.93 119.26 120.12 1sjq h ALA 64 Ca 0.62 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1sjq h ALA 64 Cb 2.58 0.01 0.01 0.00 0.00 0.00 0.00 17.79 20.39 1sjq h ALA 64 CO -0.01 -0.12 -0.35 0.00 0.00 0.00 0.00 179.25 178.78 1sjq h ALA 65 N 0.07 -1.06 -0.41 0.00 0.00 -0.56 -2.10 119.26 115.20 1sjq h ALA 65 Ca -0.00 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1sjq h ALA 65 Cb 0.73 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 1sjq h ALA 65 CO 0.01 -0.99 -0.45 -0.91 0.00 0.00 0.00 179.25 176.91 1sjq h ASN 66 N -1.16 -1.52 -0.63 0.00 2.35 -0.94 -0.90 115.58 112.77 1sjq h ASN 66 Ca -0.10 0.21 0.12 0.00 -0.55 0.00 0.00 56.30 55.98 1sjq h ASN 66 Cb 0.75 0.63 -0.12 0.00 0.05 0.00 0.00 38.32 39.63 1sjq h ASN 66 CO 0.16 -0.30 -0.24 0.74 -1.65 0.00 0.00 177.43 176.15 1sjq h THR 67 N -0.26 0.25 -0.65 2.81 2.02 -1.59 0.49 112.91 115.99 1sjq h THR 67 Ca 0.07 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.31 1sjq h THR 67 Cb 0.45 0.25 -0.08 0.00 -1.74 0.00 0.00 68.15 67.03 1sjq h THR 67 CO -0.52 0.00 -0.38 0.80 0.37 0.00 0.00 175.52 175.79 1sjq n MET 68 N -5.45 -0.28 -0.06 6.66 0.00 -0.35 -0.13 117.12 117.51 1sjq n MET 68 Ca 0.07 1.06 -0.08 0.00 0.00 0.00 0.00 57.70 58.75 1sjq n MET 68 Cb 0.35 -1.56 -0.07 0.00 0.00 0.00 0.00 33.22 31.94 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 0.97 -0.53 1.12 2.07 -1.24 -2.92 116.25 115.71 1sjq h VAL 69 Ca 0.10 -1.71 0.05 0.00 0.82 0.00 0.00 66.70 65.96 1sjq h VAL 69 Cb 0.26 1.82 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 1sjq h VAL 69 CO -0.61 0.33 -0.31 0.59 0.02 0.00 0.00 177.57 177.58 1sjq n ASN 70 N -4.70 -0.56 -0.14 0.57 4.13 0.16 0.25 115.26 114.98 1sjq n ASN 70 Ca -0.05 1.33 -0.08 0.00 1.68 0.00 0.00 54.58 57.46 1sjq n ASN 70 Cb 0.26 -0.31 0.00 0.00 -1.54 0.00 0.00 39.78 38.19 1sjq n ASN 70 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 1sjq h TYR 71 N 0.00 0.56 0.00 3.10 3.20 -0.71 -1.24 116.97 121.88 1sjq h TYR 71 Ca 0.09 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1sjq h TYR 71 Cb 0.22 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.30 1sjq h TYR 71 CO -0.91 0.40 0.00 0.66 -1.64 0.00 0.00 178.16 176.67 1sjq n TYR 72 N -4.75 0.00 -0.18 -3.82 4.01 0.08 -3.01 117.16 109.49 1sjq n TYR 72 Ca 0.01 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.78 1sjq n TYR 72 Cb 0.06 -0.05 0.30 0.00 -0.31 0.00 0.00 39.34 39.33 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 0.00 1.13 0.00 -0.72 2.02 0.46 -3.33 112.91 112.47 1sjq h THR 73 Ca 0.00 -0.30 -0.15 0.00 0.77 0.00 0.00 66.41 66.72 1sjq h THR 73 Cb 0.03 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.58 1sjq h THR 73 CO 0.00 0.16 -1.55 -1.20 0.37 0.00 0.00 175.52 173.30 1sjq n SER 74 N -4.45 2.22 -4.69 4.18 7.64 -1.21 -4.99 113.62 112.33 1sjq n SER 74 Ca 0.09 0.02 -0.42 0.00 1.01 0.00 0.00 58.87 59.57 1sjq n SER 74 Cb 0.10 -0.21 -0.03 0.00 -1.01 0.00 0.00 64.21 63.06 1sjq n SER 74 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1sjq s VAL 75 N -2.19 4.83 -0.01 0.44 1.01 -1.16 -5.03 120.40 118.28 1sjq s VAL 75 Ca -0.13 1.96 -0.20 0.00 0.00 0.00 0.00 61.98 63.61 1sjq s VAL 75 Cb 0.04 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 1sjq s VAL 75 CO 0.20 0.06 0.58 -0.89 0.00 0.00 0.00 175.10 175.05 1sjq s THR 76 N 1.69 4.93 -1.12 3.92 2.01 -1.26 -4.25 115.64 121.57 1sjq s THR 76 Ca 0.47 1.20 -0.10 0.00 0.31 0.00 0.00 61.69 63.57 1sjq s THR 76 Cb -0.19 -3.91 0.25 0.00 0.01 0.00 0.00 72.50 68.66 1sjq s THR 76 CO 0.20 0.42 1.16 -2.16 -0.69 0.00 0.00 174.62 173.55 1sjq s PRO 77 N -0.19 4.15 0.36 4.92 0.04 -1.26 -5.02 135.00 138.01 1sjq s PRO 77 Ca 0.30 -3.03 -0.02 0.00 0.04 0.00 0.00 61.00 58.29 1sjq s PRO 77 Cb -0.18 -4.66 -0.04 0.00 0.04 0.00 0.00 34.50 29.66 1sjq s PRO 77 CO 0.16 -1.36 0.61 0.54 0.04 0.00 0.00 177.00 176.99 1sjq s VAL 78 N -0.55 5.04 -0.13 -0.36 0.11 -1.26 -3.32 120.40 119.93 1sjq s VAL 78 Ca 0.33 -0.18 -0.08 0.00 -2.93 0.00 0.00 61.98 59.12 1sjq s VAL 78 Cb -0.08 -3.83 0.05 0.00 -1.53 0.00 0.00 36.38 30.98 1sjq s VAL 78 CO -0.06 -0.57 0.31 -1.48 -3.33 0.00 0.00 175.10 169.97 1sjq s LEU 79 N -4.24 0.33 -1.36 2.54 2.34 -0.92 -4.86 118.68 112.51 1sjq s LEU 79 Ca 0.43 0.67 0.00 0.00 0.06 0.00 0.00 54.13 55.28 1sjq s LEU 79 Cb -0.10 1.00 0.00 0.00 -0.56 0.00 0.00 46.19 46.53 1sjq s LEU 79 CO 0.37 -0.16 0.00 -1.14 -1.06 0.00 0.00 176.35 174.35 1sjq n ARG 80 N 3.97 -1.40 -0.34 1.48 0.00 -1.26 0.46 116.66 119.57 1sjq n ARG 80 Ca -0.22 0.80 0.00 0.00 -0.00 0.00 0.00 57.85 58.43 1sjq n ARG 80 Cb 0.55 -5.03 0.00 0.00 0.00 0.00 0.00 32.46 27.98 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 -0.16 0.81 3.10 5.14 0.00 -1.26 -5.05 105.19 107.77 1sjq n GLY 81 Ca -0.13 -0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 1sjq n GLY 81 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sjq s GLN 82 N -0.67 2.13 -0.38 1.61 -0.21 0.17 -5.06 119.66 117.26 1sjq s GLN 82 Ca 0.00 -2.07 -0.28 0.00 0.02 0.00 0.00 55.36 53.03 1sjq s GLN 82 Cb 0.00 -3.59 -0.01 0.00 1.00 0.00 0.00 33.01 30.40 1sjq s GLN 82 CO 0.00 -1.10 1.75 -2.14 -2.12 0.00 0.00 175.29 171.68 1sjq s PRO 83 N 0.71 3.29 -0.28 2.91 0.02 -1.26 -2.16 135.00 138.23 1sjq s PRO 83 Ca 0.11 1.26 0.00 0.00 0.02 0.00 0.00 61.00 62.39 1sjq s PRO 83 Cb -0.22 -4.19 0.05 0.00 0.02 0.00 0.00 34.50 30.16 1sjq s PRO 83 CO -0.04 -1.91 -0.06 0.96 -0.33 0.00 0.00 177.00 175.62 1sjq s ILE 84 N 6.92 2.59 0.36 2.83 -4.36 -1.21 -4.62 121.20 123.71 1sjq s ILE 84 Ca 0.75 -1.49 -0.13 0.00 -0.26 0.00 0.00 60.65 59.53 1sjq s ILE 84 Cb -0.20 -2.50 -0.08 0.00 1.25 0.00 0.00 42.46 40.94 1sjq s ILE 84 CO 0.32 -0.06 0.75 -0.31 0.24 0.00 0.00 174.94 175.88 1sjq s TYR 85 N 1.18 3.42 -0.01 1.37 1.51 -0.60 -4.00 117.35 120.22 1sjq s TYR 85 Ca -0.07 1.13 0.05 0.00 -1.01 0.00 0.00 57.07 57.18 1sjq s TYR 85 Cb -0.20 -2.49 -0.01 0.00 -0.11 0.00 0.00 41.96 39.15 1sjq s TYR 85 CO -0.03 -0.00 -0.18 0.42 -1.11 0.00 0.00 175.55 174.65 1sjq s ILE 86 N -2.17 1.38 0.30 2.71 1.01 -1.26 0.70 121.20 123.87 1sjq s ILE 86 Ca 0.53 -0.78 -0.16 0.00 0.00 0.00 0.00 60.65 60.23 1sjq s ILE 86 Cb -0.10 -1.16 0.02 0.00 0.01 0.00 0.00 42.46 41.23 1sjq s ILE 86 CO 0.24 0.37 0.66 0.00 0.00 0.00 0.00 174.94 176.21 1sjq s GLN 87 N -0.48 1.85 0.02 2.79 -2.07 -0.63 -4.71 119.66 116.43 1sjq s GLN 87 Ca 0.07 -1.22 -0.30 0.00 -1.82 0.00 0.00 55.36 52.09 1sjq s GLN 87 Cb -0.07 0.57 -0.04 0.00 -1.09 0.00 0.00 33.01 32.38 1sjq s GLN 87 CO -0.00 -0.83 1.14 -0.06 -1.32 0.00 0.00 175.29 174.22 1sjq s PHE 88 N -3.50 3.44 0.37 9.60 0.08 -1.26 -1.40 117.98 125.31 1sjq s PHE 88 Ca 0.16 1.38 -0.06 0.00 0.12 0.00 0.00 56.93 58.53 1sjq s PHE 88 Cb -0.04 -3.34 0.02 0.00 -0.57 0.00 0.00 43.02 39.09 1sjq s PHE 88 CO 0.10 -0.96 0.60 -1.12 -0.10 0.00 0.00 175.22 173.74 1sjq s SER 89 N 1.14 0.70 0.80 1.36 0.01 -1.26 -4.90 113.70 111.55 1sjq s SER 89 Ca 0.56 -1.42 0.00 0.00 1.31 0.00 0.00 55.95 56.40 1sjq s SER 89 Cb -0.26 0.75 0.00 0.00 0.21 0.00 0.00 66.02 66.72 1sjq s SER 89 CO 0.27 -1.47 0.00 0.59 0.41 0.00 0.00 173.24 173.04 1sjq n ASN 90 N -1.54 -0.65 -2.73 2.44 3.02 -1.26 -4.75 115.26 109.78 1sjq n ASN 90 Ca -0.02 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.46 1sjq n ASN 90 Cb 0.61 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.81 1sjq n ASN 90 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1sjq n HIS 91 N 0.00 -3.27 0.24 3.10 8.25 -1.26 -4.99 115.22 117.29 1sjq n HIS 91 Ca 0.00 -0.50 0.14 0.00 -0.26 0.00 0.00 57.72 57.09 1sjq n HIS 91 Cb 0.00 -0.21 0.32 0.00 1.12 0.00 0.00 29.99 31.22 1sjq n HIS 91 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1sjq h LYS 92 N 0.00 0.00 -4.81 -0.41 1.57 -1.95 -3.41 116.57 107.56 1sjq h LYS 92 Ca -0.10 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.34 1sjq h LYS 92 Cb 0.35 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 32.42 1sjq h LYS 92 CO 0.10 0.00 -0.76 -1.21 -0.57 0.00 0.00 179.45 177.01 1sjq s GLU 93 N -3.34 0.66 -0.28 3.15 2.02 -1.26 -3.84 118.70 115.81 1sjq s GLU 93 Ca 0.05 -0.66 -0.29 0.00 0.02 0.00 0.00 54.97 54.10 1sjq s GLU 93 Cb 0.06 -0.56 0.01 0.00 0.10 0.00 0.00 34.13 33.74 1sjq s GLU 93 CO 0.63 0.13 1.07 -1.17 0.02 0.00 0.00 175.26 175.94 1sjq s LEU 94 N -1.16 4.00 -0.02 1.80 2.96 -1.26 -4.95 118.68 120.05 1sjq s LEU 94 Ca -0.03 1.20 -0.21 0.00 -0.22 0.00 0.00 54.13 54.86 1sjq s LEU 94 Cb -0.08 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.02 1sjq s LEU 94 CO 0.01 -0.80 0.62 -0.54 -1.32 0.00 0.00 176.35 174.32 1sjq s LYS 95 N 3.47 4.35 -0.24 1.98 -0.14 -1.26 -5.06 119.74 122.85 1sjq s LYS 95 Ca 0.45 0.77 0.02 0.00 -1.36 0.00 0.00 55.97 55.85 1sjq s LYS 95 Cb -0.13 -3.37 0.06 0.00 -1.68 0.00 0.00 37.83 32.70 1sjq s LYS 95 CO 0.12 0.30 -0.09 0.99 -0.76 0.00 0.00 175.35 175.91 1sjq s THR 96 N 0.02 1.82 -0.10 2.17 2.01 -1.26 -4.90 115.64 115.39 1sjq s THR 96 Ca 0.32 -1.33 -0.00 0.00 0.31 0.00 0.00 61.69 60.99 1sjq s THR 96 Cb -0.18 -1.97 0.00 0.00 0.01 0.00 0.00 72.50 70.36 1sjq s THR 96 CO 0.17 0.00 0.00 0.47 -0.69 0.00 0.00 174.62 174.58 1sjq n ASP 97 N 4.58 -3.98 0.00 3.53 8.00 -1.26 -5.04 116.55 122.38 1sjq n ASP 97 Ca -0.14 0.49 0.00 0.00 0.71 0.00 0.00 54.79 55.86 1sjq n ASP 97 Cb 0.44 -2.49 0.00 0.00 -0.02 0.00 0.00 41.12 39.05 1sjq n ASP 97 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1sjq n SER 98 N 0.25 0.00 0.00 -2.24 3.41 -1.26 -5.32 113.62 108.47 1sjq n SER 98 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1sjq n SER 98 Cb 0.01 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1sjq n SER 98 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64