#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 -0.27 2.14 0.46 0.00 -1.26 -4.29 105.19 101.98 1sjq n GLY 13 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 46.02 47.04 1sjq n GLY 13 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1sjq n VAL 14 N -0.86 -7.98 0.00 1.61 0.24 -1.26 -4.97 118.33 105.11 1sjq n VAL 14 Ca -0.15 1.92 0.00 0.00 -2.04 0.00 0.00 64.34 64.07 1sjq n VAL 14 Cb 0.68 -4.06 0.00 0.00 -1.47 0.00 0.00 33.84 28.99 1sjq n VAL 14 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1sjq n PRO 15 N 1.89 0.00 0.00 7.34 -0.04 -1.26 -5.08 135.00 137.85 1sjq n PRO 15 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1sjq n PRO 15 Cb 0.00 -0.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.90 1sjq n PRO 15 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1sjq n SER 16 N -0.19 0.00 0.00 3.54 7.64 -1.26 -4.95 113.62 118.39 1sjq n SER 16 Ca 0.00 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.94 1sjq n SER 16 Cb 0.00 0.00 0.29 0.00 -1.01 0.00 0.00 64.21 63.49 1sjq n SER 16 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1sjq n ARG 17 N -0.65 0.11 -3.05 1.43 1.85 -1.26 -4.62 116.66 110.46 1sjq n ARG 17 Ca 0.00 0.22 -0.41 0.00 -1.00 0.00 0.00 57.85 56.66 1sjq n ARG 17 Cb 0.00 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 29.86 1sjq n ARG 17 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1sjq s VAL 18 N -2.73 4.97 -0.21 8.89 1.01 -1.26 -1.75 120.40 129.32 1sjq s VAL 18 Ca 0.09 1.29 0.01 0.00 0.00 0.00 0.00 61.98 63.38 1sjq s VAL 18 Cb 0.08 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.50 1sjq s VAL 18 CO 0.20 0.06 -0.16 -0.63 0.00 0.00 0.00 175.10 174.57 1sjq s ILE 19 N 2.16 2.21 0.34 2.22 -1.09 -0.82 -2.82 121.20 123.40 1sjq s ILE 19 Ca 0.31 -1.12 -0.09 0.00 -2.23 0.00 0.00 60.65 57.51 1sjq s ILE 19 Cb -0.16 -2.05 -0.06 0.00 -1.58 0.00 0.00 42.46 38.60 1sjq s ILE 19 CO 0.10 0.35 0.68 -2.28 -1.23 0.00 0.00 174.94 172.56 1sjq s HIS 20 N 1.25 3.45 -0.19 3.97 5.65 0.54 -2.33 115.29 127.64 1sjq s HIS 20 Ca 0.01 0.94 -0.02 0.00 0.25 0.00 0.00 55.06 56.24 1sjq s HIS 20 Cb -0.15 -2.34 0.06 0.00 -1.18 0.00 0.00 32.58 28.96 1sjq s HIS 20 CO -0.10 0.04 0.02 0.42 -0.65 0.00 0.00 174.74 174.47 1sjq s ILE 21 N -2.18 0.66 0.60 0.89 1.09 -0.93 0.15 121.20 121.48 1sjq s ILE 21 Ca 0.49 -0.61 -0.04 0.00 -1.10 0.00 0.00 60.65 59.39 1sjq s ILE 21 Cb -0.10 -1.11 0.03 0.00 -1.06 0.00 0.00 42.46 40.22 1sjq s ILE 21 CO 0.28 -0.16 0.89 -0.60 -0.10 0.00 0.00 174.94 175.25 1sjq s ARG 22 N 1.80 2.63 -0.06 2.79 3.52 -0.35 -2.83 118.95 126.46 1sjq s ARG 22 Ca -0.01 -0.29 -0.00 0.00 -0.13 0.00 0.00 55.73 55.30 1sjq s ARG 22 Cb -0.17 -2.31 0.00 0.00 -1.56 0.00 0.00 34.95 30.91 1sjq s ARG 22 CO -0.08 -0.83 0.00 1.17 -0.81 0.00 0.00 175.30 174.76 1sjq n LYS 23 N -2.59 -0.96 -3.32 5.12 3.00 -1.26 -1.94 118.16 116.21 1sjq n LYS 23 Ca 0.06 1.19 0.03 0.00 -0.00 0.00 0.00 58.31 59.59 1sjq n LYS 23 Cb 0.59 -1.79 -0.03 0.00 0.00 0.00 0.00 35.03 33.80 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 -1.04 -0.78 -0.36 3.14 2.96 -1.26 -3.16 118.68 118.19 1sjq s LEU 24 Ca -0.00 0.78 -0.28 0.00 -0.22 0.00 0.00 54.13 54.40 1sjq s LEU 24 Cb 0.00 1.77 -0.32 0.00 0.50 0.00 0.00 46.19 48.14 1sjq s LEU 24 CO 0.15 -0.15 1.72 -2.65 -1.32 0.00 0.00 176.35 174.10 1sjq n PRO 25 N 5.26 0.03 -0.58 0.98 -0.02 -1.26 -4.60 135.00 134.80 1sjq n PRO 25 Ca -0.07 -1.19 -0.19 0.00 -2.02 0.00 0.00 63.50 60.03 1sjq n PRO 25 Cb 0.52 -2.91 0.01 0.00 -0.02 0.00 0.00 33.50 31.10 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 7.56 0.00 -0.63 4.25 -0.00 -1.26 -3.19 119.36 126.08 1sjq n ILE 26 Ca 0.43 -0.25 0.00 0.00 -0.00 0.00 0.00 62.75 62.93 1sjq n ILE 26 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.07 1sjq n ILE 26 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 1sjq n ASP 27 N 1.42 -1.77 -3.34 4.38 5.68 -1.26 -5.05 116.55 116.61 1sjq n ASP 27 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.31 1sjq n ASP 27 Cb 0.25 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 1sjq n ASP 27 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1sjq n VAL 28 N -2.59 0.00 -4.31 2.12 0.31 -1.19 -5.02 118.33 107.64 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 1.77 0.04 2.52 -4.23 -1.26 -5.05 115.64 109.43 1sjq s THR 29 Ca 0.00 -1.55 -0.21 0.00 -1.18 0.00 0.00 61.69 58.74 1sjq s THR 29 Cb 0.00 -1.60 -0.14 0.00 1.34 0.00 0.00 72.50 72.09 1sjq s THR 29 CO 0.00 -0.03 1.38 -0.33 -0.54 0.00 0.00 174.62 175.09 1sjq h GLU 30 N 4.08 0.29 -0.97 3.99 5.08 -1.98 -1.60 114.58 123.47 1sjq h GLU 30 Ca -0.47 -0.13 0.20 0.00 -1.00 0.00 0.00 59.36 57.97 1sjq h GLU 30 Cb 1.18 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.34 1sjq h GLU 30 CO 0.40 0.64 0.62 0.78 -1.00 0.00 0.00 179.01 180.44 1sjq h GLY 31 N -0.07 1.30 0.04 -3.84 0.00 -1.97 0.31 103.07 98.84 1sjq h GLY 31 Ca 0.03 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 1sjq h GLY 31 CO 0.02 -0.04 -0.02 0.83 0.00 0.00 0.00 176.54 177.33 1sjq h GLU 32 N 0.56 -0.05 -0.64 4.80 3.07 -1.96 -0.93 114.58 119.43 1sjq h GLU 32 Ca 0.53 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 59.51 1sjq h GLU 32 Cb 1.09 0.01 -0.12 0.00 -0.84 0.00 0.00 28.75 28.89 1sjq h GLU 32 CO -0.28 -0.03 -0.28 0.28 -1.40 0.00 0.00 179.01 177.30 1sjq h VAL 33 N -0.52 0.20 -0.64 3.13 2.07 -1.16 0.16 116.25 119.50 1sjq h VAL 33 Ca -0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 1sjq h VAL 33 Cb 0.04 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 1sjq h VAL 33 CO 0.01 0.00 0.05 0.40 0.02 0.00 0.00 177.57 178.05 1sjq h ILE 34 N -0.10 1.27 -0.96 4.57 5.03 -0.55 -2.83 117.51 123.93 1sjq h ILE 34 Ca 0.27 -1.10 0.35 0.00 -0.12 0.00 0.00 64.86 64.27 1sjq h ILE 34 Cb 0.54 0.72 -0.17 0.00 -3.03 0.00 0.00 36.82 34.88 1sjq h ILE 34 CO -0.71 0.41 0.33 -0.24 -0.68 0.00 0.00 178.15 177.26 1sjq n SER 35 N -4.21 0.17 -0.03 1.72 2.88 0.54 0.25 113.62 114.94 1sjq n SER 35 Ca 0.04 1.60 -0.17 0.00 -1.33 0.00 0.00 58.87 59.01 1sjq n SER 35 Cb 0.32 -0.71 -0.07 0.00 -0.75 0.00 0.00 64.21 63.00 1sjq n SER 35 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1sjq h LEU 36 N 0.00 0.90 0.00 2.46 3.38 -1.24 -2.98 115.31 117.83 1sjq h LEU 36 Ca 0.73 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1sjq h LEU 36 Cb 1.80 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.29 1sjq h LEU 36 CO -0.80 1.37 0.00 0.61 0.09 0.00 0.00 178.44 179.72 1sjq n GLY 37 N 0.67 -1.06 0.43 0.83 0.00 0.68 -3.85 105.19 102.89 1sjq n GLY 37 Ca -0.07 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.89 -1.80 0.99 3.38 0.19 -2.97 115.31 114.21 1sjq h LEU 38 Ca 0.00 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1sjq h LEU 38 Cb 0.17 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1sjq h LEU 38 CO 0.00 -0.60 0.23 1.55 0.09 0.00 0.00 178.44 179.71 1sjq h PRO 39 N -1.13 0.25 -0.17 1.13 0.13 -1.74 -0.95 132.00 129.52 1sjq h PRO 39 Ca -0.11 -0.01 0.05 0.00 -0.87 0.00 0.00 66.00 65.06 1sjq h PRO 39 Cb 0.82 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 1sjq h PRO 39 CO 0.18 0.16 0.13 0.74 -0.23 0.00 0.00 178.00 178.98 1sjq h PHE 40 N 0.25 0.00 0.00 1.56 0.04 -1.69 -3.47 116.94 113.63 1sjq h PHE 40 Ca 0.15 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.92 1sjq h PHE 40 Cb 0.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1sjq h PHE 40 CO -0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 1sjq n GLY 41 N -1.51 -0.80 3.26 -1.45 0.00 -0.36 -3.12 105.19 101.22 1sjq n GLY 41 Ca 0.01 0.30 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 0.60 -0.32 1.61 -0.14 -1.26 -4.81 119.74 115.42 1sjq s LYS 42 Ca 0.00 0.12 -0.21 0.00 -1.36 0.00 0.00 55.97 54.52 1sjq s LYS 42 Cb 0.00 0.27 -0.00 0.00 -1.68 0.00 0.00 37.83 36.42 1sjq s LYS 42 CO 0.00 -0.14 0.66 0.08 -0.76 0.00 0.00 175.35 175.20 1sjq s VAL 43 N -0.71 4.89 -1.05 3.17 1.01 -1.26 -3.18 120.40 123.26 1sjq s VAL 43 Ca -0.08 0.83 0.24 0.00 0.00 0.00 0.00 61.98 62.97 1sjq s VAL 43 Cb -0.04 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 1sjq s VAL 43 CO 0.03 -0.22 1.28 0.35 0.00 0.00 0.00 175.10 176.54 1sjq n THR 44 N 5.49 0.00 -3.63 3.92 -2.24 0.72 -4.95 114.28 113.59 1sjq n THR 44 Ca -0.00 -0.01 -0.04 0.00 -2.27 0.00 0.00 64.05 61.73 1sjq n THR 44 Cb 0.49 0.47 -0.05 0.00 -2.10 0.00 0.00 70.33 69.14 1sjq n THR 44 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1sjq s ASN 45 N -2.97 -0.11 -0.07 3.42 -0.87 -1.21 -4.86 114.94 108.27 1sjq s ASN 45 Ca 0.11 0.15 0.00 0.00 -1.57 0.00 0.00 52.86 51.55 1sjq s ASN 45 Cb 0.17 0.13 0.02 0.00 -0.02 0.00 0.00 41.25 41.55 1sjq s ASN 45 CO 0.74 -0.08 -0.05 -0.22 -2.57 0.00 0.00 177.10 174.92 1sjq s LEU 46 N -0.70 1.15 -0.01 0.60 1.98 -1.26 -1.15 118.68 119.29 1sjq s LEU 46 Ca 0.07 -0.19 -0.02 0.00 -2.89 0.00 0.00 54.13 51.10 1sjq s LEU 46 Cb -0.02 -0.60 0.00 0.00 0.66 0.00 0.00 46.19 46.23 1sjq s LEU 46 CO -0.09 -0.09 0.04 -0.22 -1.89 0.00 0.00 176.35 174.10 1sjq s LEU 47 N 1.34 1.86 -0.29 -0.68 1.98 -0.11 -5.02 118.68 117.77 1sjq s LEU 47 Ca -0.04 0.02 -0.00 0.00 -2.89 0.00 0.00 54.13 51.22 1sjq s LEU 47 Cb -0.14 0.17 0.09 0.00 0.66 0.00 0.00 46.19 46.97 1sjq s LEU 47 CO -0.03 -0.06 0.06 -0.04 -1.89 0.00 0.00 176.35 174.39 1sjq s MET 48 N -0.18 0.99 -0.41 1.98 -1.94 -1.26 0.10 119.30 118.57 1sjq s MET 48 Ca -0.02 -1.10 -0.28 0.00 -1.71 0.00 0.00 55.69 52.58 1sjq s MET 48 Cb -0.02 -2.30 -0.01 0.00 2.01 0.00 0.00 34.83 34.51 1sjq s MET 48 CO 0.00 -0.87 1.71 -0.51 -0.01 0.00 0.00 175.02 175.34 1sjq s LEU 49 N 1.50 3.48 -1.16 -0.03 2.01 0.28 -4.78 118.68 119.98 1sjq s LEU 49 Ca 0.06 0.97 -0.13 0.00 0.01 0.00 0.00 54.13 55.04 1sjq s LEU 49 Cb -0.18 -3.31 0.19 0.00 0.01 0.00 0.00 46.19 42.90 1sjq s LEU 49 CO -0.17 -1.78 1.34 -0.54 1.01 0.00 0.00 176.35 176.21 1sjq s LYS 50 N 5.76 4.07 0.32 1.70 1.02 -1.26 -2.95 119.74 128.39 1sjq s LYS 50 Ca 0.72 -2.63 0.00 0.00 0.02 0.00 0.00 55.97 54.08 1sjq s LYS 50 Cb -0.18 -4.95 0.00 0.00 -0.52 0.00 0.00 37.83 32.18 1sjq s LYS 50 CO 0.31 -1.67 0.00 0.41 -0.92 0.00 0.00 175.35 173.48 1sjq n GLY 51 N 3.96 -1.44 0.11 -3.33 0.00 -1.26 -4.95 105.19 98.28 1sjq n GLY 51 Ca 0.33 0.27 0.07 0.00 0.00 0.00 0.00 46.02 46.68 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 -3.14 1.33 -2.21 1.61 4.76 -1.26 -5.04 118.16 114.21 1sjq n LYS 52 Ca 0.00 -2.16 -0.02 0.00 -2.87 0.00 0.00 58.31 53.26 1sjq n LYS 52 Cb 0.00 -1.27 0.00 0.00 -1.84 0.00 0.00 35.03 31.92 1sjq n LYS 52 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1sjq n ASN 53 N -1.08 -5.38 -3.64 4.39 4.05 -1.25 -4.93 115.26 107.42 1sjq n ASN 53 Ca 0.11 0.63 -0.07 0.00 0.45 0.00 0.00 54.58 55.71 1sjq n ASN 53 Cb 0.59 -3.45 -0.07 0.00 1.23 0.00 0.00 39.78 38.08 1sjq n ASN 53 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1sjq s GLN 54 N -1.27 0.70 0.32 1.20 -0.21 -1.15 -4.38 119.66 114.87 1sjq s GLN 54 Ca 0.05 1.23 0.09 0.00 0.02 0.00 0.00 55.36 56.75 1sjq s GLN 54 Cb -0.01 0.17 -0.05 0.00 1.00 0.00 0.00 33.01 34.12 1sjq s GLN 54 CO 0.44 -0.15 0.04 0.00 -2.12 0.00 0.00 175.29 173.50 1sjq s ALA 55 N 1.70 3.27 -0.16 6.09 0.00 -1.13 0.10 121.76 131.64 1sjq s ALA 55 Ca -0.10 -1.82 -0.05 0.00 0.00 0.00 0.00 51.96 49.99 1sjq s ALA 55 Cb -0.05 -0.61 0.08 0.00 0.00 0.00 0.00 23.12 22.53 1sjq s ALA 55 CO -0.20 0.12 0.30 -0.06 0.00 0.00 0.00 175.76 175.92 1sjq s PHE 56 N -2.43 -0.51 -0.01 0.00 0.40 0.11 -2.18 117.98 113.36 1sjq s PHE 56 Ca 0.35 1.02 0.07 0.00 -0.60 0.00 0.00 56.93 57.77 1sjq s PHE 56 Cb -0.03 0.01 -0.02 0.00 0.51 0.00 0.00 43.02 43.49 1sjq s PHE 56 CO 0.20 -0.42 -0.23 0.96 0.70 0.00 0.00 175.22 176.43 1sjq s ILE 57 N 2.46 2.32 -0.23 0.64 -4.36 -0.98 -0.93 121.20 120.12 1sjq s ILE 57 Ca 0.02 -1.07 -0.09 0.00 -0.26 0.00 0.00 60.65 59.26 1sjq s ILE 57 Cb -0.13 -1.85 -0.04 0.00 1.25 0.00 0.00 42.46 41.70 1sjq s ILE 57 CO -0.10 0.54 0.10 -1.61 0.24 0.00 0.00 174.94 174.11 1sjq s GLU 58 N -0.76 3.87 -0.15 0.37 2.02 -0.30 -1.95 118.70 121.80 1sjq s GLU 58 Ca 0.11 -0.38 -0.10 0.00 0.02 0.00 0.00 54.97 54.62 1sjq s GLU 58 Cb -0.10 -3.39 -0.05 0.00 0.10 0.00 0.00 34.13 30.69 1sjq s GLU 58 CO 0.00 -0.02 0.18 -1.64 0.02 0.00 0.00 175.26 173.81 1sjq s MET 59 N 1.20 3.90 0.51 1.61 -1.94 -0.72 0.26 119.30 124.13 1sjq s MET 59 Ca 0.06 -0.08 0.30 0.00 -1.71 0.00 0.00 55.69 54.26 1sjq s MET 59 Cb -0.14 -3.32 1.11 0.00 2.01 0.00 0.00 34.83 34.49 1sjq s MET 59 CO 0.04 0.50 1.89 -0.91 -0.01 0.00 0.00 175.02 176.53 1sjq h ASN 60 N 5.89 0.00 -3.45 3.03 2.35 -1.90 -3.43 115.58 118.06 1sjq h ASN 60 Ca -0.47 0.00 -0.41 0.00 -0.55 0.00 0.00 56.30 54.87 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 0.68 0.03 -0.77 0.28 -1.65 0.00 0.00 177.43 176.01 1sjq s THR 61 N -3.58 0.50 0.27 2.81 -1.32 -1.26 -5.03 115.64 108.03 1sjq s THR 61 Ca 0.02 -0.10 -0.06 0.00 -1.21 0.00 0.00 61.69 60.34 1sjq s THR 61 Cb 0.08 -0.54 0.43 0.00 -1.51 0.00 0.00 72.50 70.97 1sjq s THR 61 CO 0.58 0.22 1.48 -0.62 -2.21 0.00 0.00 174.62 174.07 1sjq n GLU 62 N 4.11 -0.08 -0.40 7.08 1.02 -1.26 0.21 120.64 131.30 1sjq n GLU 62 Ca -0.24 1.47 0.36 0.00 -0.02 0.00 0.00 57.16 58.73 1sjq n GLU 62 Cb 0.51 -2.22 0.70 0.00 -0.02 0.00 0.00 31.44 30.41 1sjq n GLU 62 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1sjq h GLU 63 N 0.00 0.09 -0.00 3.49 4.22 -1.96 0.41 114.58 120.83 1sjq h GLU 63 Ca 0.47 -0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.88 1sjq h GLU 63 Cb 0.76 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1sjq h GLU 63 CO -0.97 0.06 -0.11 0.00 -2.18 0.00 0.00 179.01 175.81 1sjq h ALA 64 N 1.42 0.02 0.63 2.92 0.00 0.24 -2.75 119.26 121.74 1sjq h ALA 64 Ca 0.67 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1sjq h ALA 64 Cb 2.41 0.00 0.01 0.00 0.00 0.00 0.00 17.79 20.21 1sjq h ALA 64 CO -0.13 -0.03 -0.30 0.00 0.00 0.00 0.00 179.25 178.79 1sjq h ALA 65 N 0.26 -0.85 0.03 0.00 0.00 -0.48 -2.76 119.26 115.45 1sjq h ALA 65 Ca -0.01 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1sjq h ALA 65 Cb 0.86 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1sjq h ALA 65 CO 0.02 -0.81 -0.22 -0.91 0.00 0.00 0.00 179.25 177.32 1sjq h ASN 66 N -1.18 -0.68 -0.98 0.00 2.35 -0.52 -2.20 115.58 112.37 1sjq h ASN 66 Ca -0.09 0.07 0.26 0.00 -0.55 0.00 0.00 56.30 56.00 1sjq h ASN 66 Cb 0.68 0.26 -0.18 0.00 0.05 0.00 0.00 38.32 39.12 1sjq h ASN 66 CO 0.14 -0.23 0.01 0.74 -1.65 0.00 0.00 177.43 176.45 1sjq h THR 67 N -0.30 0.04 -0.24 2.81 2.02 -1.62 0.45 112.91 116.07 1sjq h THR 67 Ca 0.00 -0.01 0.03 0.00 0.77 0.00 0.00 66.41 67.20 1sjq h THR 67 Cb 0.31 0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 66.70 1sjq h THR 67 CO -0.13 0.00 -0.28 -0.03 0.37 0.00 0.00 175.52 175.45 1sjq h MET 68 N 0.02 -0.16 0.06 6.66 1.85 -1.09 0.72 114.93 122.99 1sjq h MET 68 Ca 0.58 0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.68 1sjq h MET 68 Cb 1.18 0.04 0.00 0.00 0.43 0.00 0.00 31.60 33.24 1sjq h MET 68 CO -0.91 -0.11 -0.03 0.28 -0.40 0.00 0.00 176.91 175.74 1sjq h VAL 69 N -0.17 1.25 -0.65 -5.77 2.07 -1.11 -2.21 116.25 109.66 1sjq h VAL 69 Ca 0.04 -1.27 0.19 0.00 0.82 0.00 0.00 66.70 66.48 1sjq h VAL 69 Cb 0.28 2.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 1sjq h VAL 69 CO -0.32 0.31 0.65 -1.13 0.02 0.00 0.00 177.57 177.10 1sjq h ASN 70 N -0.68 0.00 0.00 0.57 -0.73 -0.04 0.38 115.58 115.08 1sjq h ASN 70 Ca -0.01 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.16 1sjq h ASN 70 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.16 1sjq h ASN 70 CO 0.01 0.00 -0.15 0.22 -0.37 0.00 0.00 177.43 177.15 1sjq h TYR 71 N 0.00 0.00 0.00 0.67 3.20 0.51 -3.35 116.97 118.00 1sjq h TYR 71 Ca 0.31 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.18 1sjq h TYR 71 Cb 1.60 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.87 1sjq h TYR 71 CO 0.00 0.00 0.15 1.88 -1.64 0.00 0.00 178.16 178.55 1sjq h TYR 72 N -0.53 0.00 -1.42 -3.82 0.05 -1.06 -2.96 116.97 107.23 1sjq h TYR 72 Ca 0.00 0.00 0.43 0.00 0.05 0.00 0.00 58.73 59.21 1sjq h TYR 72 Cb 0.15 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 37.81 1sjq h TYR 72 CO -0.06 0.00 1.00 2.41 -1.05 0.00 0.00 178.16 180.45 1sjq n THR 73 N -2.43 -0.06 -0.00 -2.88 -1.04 0.13 -2.48 114.28 105.52 1sjq n THR 73 Ca -0.02 1.24 -0.02 0.00 -2.04 0.00 0.00 64.05 63.21 1sjq n THR 73 Cb 0.18 -2.05 -0.01 0.00 -1.82 0.00 0.00 70.33 66.63 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 -3.72 1.01 -4.66 8.00 2.88 -1.12 -4.99 113.62 111.02 1sjq n SER 74 Ca 0.34 0.15 -0.42 0.00 -1.33 0.00 0.00 58.87 57.61 1sjq n SER 74 Cb 1.48 -0.40 -0.03 0.00 -0.75 0.00 0.00 64.21 64.51 1sjq n SER 74 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1sjq s VAL 75 N -1.95 4.78 0.07 2.46 0.11 -1.04 -5.04 120.40 119.79 1sjq s VAL 75 Ca -0.08 1.83 -0.08 0.00 -2.93 0.00 0.00 61.98 60.73 1sjq s VAL 75 Cb 0.01 -4.23 -0.05 0.00 -1.53 0.00 0.00 36.38 30.58 1sjq s VAL 75 CO 0.12 -0.08 0.35 -0.89 -3.33 0.00 0.00 175.10 171.27 1sjq s THR 76 N 2.69 5.18 0.36 5.04 2.01 -1.26 -4.12 115.64 125.53 1sjq s THR 76 Ca 0.41 0.27 0.04 0.00 0.31 0.00 0.00 61.69 62.72 1sjq s THR 76 Cb -0.16 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 1sjq s THR 76 CO 0.10 0.27 0.53 -2.16 -0.69 0.00 0.00 174.62 172.66 1sjq s PRO 77 N -2.00 3.19 0.01 4.92 0.04 -1.26 -4.97 135.00 134.94 1sjq s PRO 77 Ca 0.33 -0.73 -0.19 0.00 0.04 0.00 0.00 61.00 60.44 1sjq s PRO 77 Cb -0.13 -2.73 0.04 0.00 0.04 0.00 0.00 34.50 31.71 1sjq s PRO 77 CO 0.19 0.02 0.43 0.14 0.04 0.00 0.00 177.00 177.82 1sjq s VAL 78 N -2.28 0.05 -0.54 -0.36 -7.23 -1.26 -0.28 120.40 108.50 1sjq s VAL 78 Ca 0.44 -0.38 -0.17 0.00 -1.81 0.00 0.00 61.98 60.06 1sjq s VAL 78 Cb -0.10 -0.85 0.12 0.00 0.56 0.00 0.00 36.38 36.11 1sjq s VAL 78 CO 0.33 -0.21 0.53 -0.76 -0.31 0.00 0.00 175.10 174.69 1sjq s LEU 79 N -1.65 5.92 0.00 1.32 1.02 -0.27 -4.74 118.68 120.28 1sjq s LEU 79 Ca -0.09 -1.63 0.00 0.00 0.02 0.00 0.00 54.13 52.43 1sjq s LEU 79 Cb -0.02 -2.23 0.00 0.00 0.02 0.00 0.00 46.19 43.96 1sjq s LEU 79 CO 0.02 -0.88 0.00 0.54 0.02 0.00 0.00 176.35 176.04 1sjq n ARG 80 N 5.49 0.00 -0.65 1.70 5.12 -1.26 -1.85 116.66 125.21 1sjq n ARG 80 Ca -0.13 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.77 1sjq n ARG 80 Cb 0.41 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.69 1sjq n ARG 80 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1sjq n GLY 81 N 0.00 0.85 2.86 -0.13 0.00 -1.26 -5.07 105.19 102.44 1sjq n GLY 81 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 1.19 0.13 1.61 1.11 -0.77 -5.11 119.66 117.82 1sjq s GLN 82 Ca 0.00 -1.64 -0.31 0.00 0.01 0.00 0.00 55.36 53.42 1sjq s GLN 82 Cb 0.00 -2.61 -0.09 0.00 -1.01 0.00 0.00 33.01 29.30 1sjq s GLN 82 CO -0.00 -1.00 1.51 -2.14 0.01 0.00 0.00 175.29 173.66 1sjq s PRO 83 N 1.01 4.25 -0.10 2.91 0.02 -1.26 -1.11 135.00 140.72 1sjq s PRO 83 Ca 0.12 2.25 -0.01 0.00 0.02 0.00 0.00 61.00 63.37 1sjq s PRO 83 Cb -0.20 -3.23 0.03 0.00 0.02 0.00 0.00 34.50 31.12 1sjq s PRO 83 CO -0.13 -0.56 -0.01 0.96 -0.33 0.00 0.00 177.00 176.94 1sjq s ILE 84 N 1.28 0.50 0.42 2.83 -4.36 0.62 -4.68 121.20 117.82 1sjq s ILE 84 Ca 0.68 -0.04 -0.22 0.00 -0.26 0.00 0.00 60.65 60.81 1sjq s ILE 84 Cb -0.41 -0.69 -0.10 0.00 1.25 0.00 0.00 42.46 42.52 1sjq s ILE 84 CO 0.31 0.21 0.97 -0.31 0.24 0.00 0.00 174.94 176.36 1sjq s TYR 85 N 1.92 3.30 -0.24 1.37 1.51 -0.82 -4.07 117.35 120.32 1sjq s TYR 85 Ca 0.04 1.63 0.01 0.00 -1.01 0.00 0.00 57.07 57.74 1sjq s TYR 85 Cb -0.13 -2.92 0.06 0.00 -0.11 0.00 0.00 41.96 38.86 1sjq s TYR 85 CO -0.06 -0.24 -0.04 0.42 -1.11 0.00 0.00 175.55 174.52 1sjq s ILE 86 N -2.02 1.47 0.45 2.71 1.01 -1.26 -1.21 121.20 122.35 1sjq s ILE 86 Ca 0.61 -1.24 0.04 0.00 0.00 0.00 0.00 60.65 60.06 1sjq s ILE 86 Cb -0.13 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.51 1sjq s ILE 86 CO 0.17 -0.16 0.01 -1.10 0.00 0.00 0.00 174.94 173.87 1sjq s GLN 87 N 1.41 2.04 0.99 2.79 -1.52 0.40 -4.34 119.66 121.43 1sjq s GLN 87 Ca -0.04 -2.22 -0.12 0.00 -1.95 0.00 0.00 55.36 51.03 1sjq s GLN 87 Cb -0.19 -1.51 0.18 0.00 -0.22 0.00 0.00 33.01 31.28 1sjq s GLN 87 CO -0.07 -0.20 1.09 -0.06 -0.25 0.00 0.00 175.29 175.79 1sjq s PHE 88 N -2.83 2.05 0.13 0.91 0.08 -1.26 0.20 117.98 117.26 1sjq s PHE 88 Ca 0.23 1.12 0.04 0.00 0.12 0.00 0.00 56.93 58.44 1sjq s PHE 88 Cb 0.06 -3.21 -0.04 0.00 -0.57 0.00 0.00 43.02 39.26 1sjq s PHE 88 CO 0.11 -2.87 0.14 0.45 -0.10 0.00 0.00 175.22 172.96 1sjq s SER 89 N -3.30 5.67 -0.45 1.36 0.15 -1.13 -3.74 113.70 112.27 1sjq s SER 89 Ca 0.65 -0.04 0.01 0.00 0.70 0.00 0.00 55.95 57.28 1sjq s SER 89 Cb -0.19 -1.54 0.47 0.00 -1.71 0.00 0.00 66.02 63.05 1sjq s SER 89 CO 0.58 0.10 1.88 -3.20 1.20 0.00 0.00 173.24 173.80 1sjq n ASN 90 N -0.11 5.22 -3.79 5.45 2.85 -1.26 -4.89 115.26 118.72 1sjq n ASN 90 Ca -0.08 -3.41 -0.13 0.00 -0.11 0.00 0.00 54.58 50.85 1sjq n ASN 90 Cb 0.54 -0.88 -0.09 0.00 1.24 0.00 0.00 39.78 40.58 1sjq n ASN 90 CO 0.00 0.00 0.00 -2.28 -2.11 0.00 0.00 177.26 172.87 1sjq s HIS 91 N -2.89 -0.14 0.00 1.20 2.46 -1.26 -5.10 115.29 109.56 1sjq s HIS 91 Ca 0.50 0.22 0.00 0.00 0.47 0.00 0.00 55.06 56.25 1sjq s HIS 91 Cb 0.40 0.06 0.00 0.00 -0.13 0.00 0.00 32.58 32.91 1sjq s HIS 91 CO 0.05 -0.34 0.59 1.63 -2.47 0.00 0.00 174.74 174.20 1sjq n LYS 92 N 1.51 0.00 -3.35 2.88 4.76 -1.26 -4.78 118.16 117.91 1sjq n LYS 92 Ca -0.21 0.38 -0.19 0.00 -2.87 0.00 0.00 58.31 55.42 1sjq n LYS 92 Cb 0.56 -1.22 -0.01 0.00 -1.84 0.00 0.00 35.03 32.52 1sjq n LYS 92 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1sjq s GLU 93 N -1.95 2.77 0.39 1.97 2.02 -1.26 -4.55 118.70 118.09 1sjq s GLU 93 Ca 0.00 -1.30 -0.25 0.00 0.02 0.00 0.00 54.97 53.44 1sjq s GLU 93 Cb 0.00 -2.62 -0.11 0.00 0.10 0.00 0.00 34.13 31.50 1sjq s GLU 93 CO 0.00 -0.15 1.03 -0.11 0.02 0.00 0.00 175.26 176.05 1sjq n LEU 94 N -1.66 2.48 -4.59 1.80 7.94 -1.26 -4.98 117.00 116.73 1sjq n LEU 94 Ca 0.04 1.08 -0.34 0.00 -1.11 0.00 0.00 56.01 55.68 1sjq n LEU 94 Cb 0.60 -1.35 -0.11 0.00 0.53 0.00 0.00 43.42 43.09 1sjq n LEU 94 CO 0.41 -1.40 -0.31 -0.54 -1.11 0.00 0.00 177.39 174.44 1sjq s LYS 95 N -1.90 3.56 -0.38 1.96 1.02 -1.26 -5.08 119.74 117.67 1sjq s LYS 95 Ca 0.61 -0.44 -0.00 0.00 0.02 0.00 0.00 55.97 56.16 1sjq s LYS 95 Cb -0.59 -2.96 0.10 0.00 -0.52 0.00 0.00 37.83 33.87 1sjq s LYS 95 CO 0.58 0.38 0.14 0.95 -0.92 0.00 0.00 175.35 176.48 1sjq s THR 96 N 0.01 2.91 0.48 2.17 -4.23 -1.26 -4.96 115.64 110.76 1sjq s THR 96 Ca 0.03 -2.14 0.28 0.00 -1.18 0.00 0.00 61.69 58.68 1sjq s THR 96 Cb -0.13 -3.03 0.47 0.00 1.34 0.00 0.00 72.50 71.15 1sjq s THR 96 CO 0.02 -0.63 1.81 -0.78 -0.54 0.00 0.00 174.62 174.50 1sjq h ASP 97 N 7.89 0.19 -3.23 3.99 1.82 -2.05 -3.36 116.42 121.67 1sjq h ASP 97 Ca -0.10 0.03 -0.68 0.00 -0.39 0.00 0.00 57.03 55.90 1sjq h ASP 97 Cb 1.04 0.00 -0.34 0.00 0.68 0.00 0.00 39.33 40.71 1sjq h ASP 97 CO 0.63 0.04 -0.87 -0.44 -1.61 0.00 0.00 179.24 176.99 1sjq s SER 98 N -5.33 3.11 0.00 2.28 0.01 -1.26 -5.36 113.70 107.15 1sjq s SER 98 Ca -0.07 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.60 1sjq s SER 98 Cb 0.23 -1.44 0.00 0.00 0.21 0.00 0.00 66.02 65.03 1sjq s SER 98 CO 0.79 0.09 0.00 -0.24 0.41 0.00 0.00 173.24 174.30