#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 -0.30 2.84 5.00 0.00 -1.26 -5.06 105.19 106.41 1sjq n GLY 13 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.27 0.00 1.61 -7.23 -1.26 -5.10 120.40 108.69 1sjq s VAL 14 Ca 0.00 0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.19 1sjq s VAL 14 Cb 0.00 -0.35 0.00 0.00 0.56 0.00 0.00 36.38 36.59 1sjq s VAL 14 CO 0.00 0.16 0.14 -0.81 -0.31 0.00 0.00 175.10 174.28 1sjq n PRO 15 N 4.06 0.00 -3.62 4.82 -0.04 -1.26 -5.06 135.00 133.89 1sjq n PRO 15 Ca -0.26 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.18 1sjq n PRO 15 Cb 0.51 -0.55 -0.02 0.00 -0.04 0.00 0.00 33.50 33.40 1sjq n PRO 15 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1sjq s SER 16 N -1.71 -0.04 0.48 3.54 1.04 -1.26 -5.01 113.70 110.74 1sjq s SER 16 Ca 0.00 -0.01 0.27 0.00 0.48 0.00 0.00 55.95 56.69 1sjq s SER 16 Cb 0.00 0.04 0.68 0.00 0.10 0.00 0.00 66.02 66.85 1sjq s SER 16 CO 0.00 -0.07 1.74 0.03 0.98 0.00 0.00 173.24 175.91 1sjq h ARG 17 N 2.00 0.00 -5.50 4.02 3.08 -1.92 -3.42 114.38 112.63 1sjq h ARG 17 Ca -0.10 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.31 1sjq h ARG 17 Cb 1.15 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.05 1sjq h ARG 17 CO 0.22 0.00 0.29 0.08 -1.07 0.00 0.00 179.97 179.48 1sjq s VAL 18 N -3.36 4.67 -0.46 2.04 1.01 -1.26 -2.27 120.40 120.77 1sjq s VAL 18 Ca 0.05 0.06 -0.19 0.00 0.00 0.00 0.00 61.98 61.91 1sjq s VAL 18 Cb 0.06 -4.36 0.03 0.00 0.00 0.00 0.00 36.38 32.12 1sjq s VAL 18 CO 0.63 -0.84 0.56 -0.63 0.00 0.00 0.00 175.10 174.83 1sjq s ILE 19 N 3.21 4.94 -0.48 2.22 -1.09 -0.24 -1.12 121.20 128.63 1sjq s ILE 19 Ca 0.24 -0.26 -0.29 0.00 -2.23 0.00 0.00 60.65 58.12 1sjq s ILE 19 Cb -0.15 -4.18 0.03 0.00 -1.58 0.00 0.00 42.46 36.58 1sjq s ILE 19 CO 0.18 -0.61 1.18 -2.28 -1.23 0.00 0.00 174.94 172.18 1sjq s HIS 20 N 2.51 2.73 -0.02 3.97 2.46 0.65 -2.54 115.29 125.05 1sjq s HIS 20 Ca 0.16 0.68 -0.26 0.00 0.47 0.00 0.00 55.06 56.11 1sjq s HIS 20 Cb -0.17 -4.44 -0.04 0.00 -0.13 0.00 0.00 32.58 27.80 1sjq s HIS 20 CO 0.15 -1.40 0.81 0.42 -2.47 0.00 0.00 174.74 172.24 1sjq s ILE 21 N 4.66 4.91 0.39 0.89 1.01 0.10 0.39 121.20 133.54 1sjq s ILE 21 Ca 0.49 1.69 0.08 0.00 0.00 0.00 0.00 60.65 62.91 1sjq s ILE 21 Cb -0.08 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.21 1sjq s ILE 21 CO 0.31 0.25 0.27 -0.60 0.00 0.00 0.00 174.94 175.18 1sjq s ARG 22 N 0.66 2.46 -1.60 2.79 3.52 0.42 -2.66 118.95 124.54 1sjq s ARG 22 Ca 0.42 -1.57 -0.11 0.00 -0.13 0.00 0.00 55.73 54.34 1sjq s ARG 22 Cb -0.19 -2.26 0.10 0.00 -1.56 0.00 0.00 34.95 31.03 1sjq s ARG 22 CO 0.22 -0.07 0.59 1.17 -0.81 0.00 0.00 175.30 176.40 1sjq n LYS 23 N -1.37 -2.93 -3.76 5.12 4.81 -1.26 -0.27 118.16 118.49 1sjq n LYS 23 Ca 0.00 0.35 -0.30 0.00 -0.87 0.00 0.00 58.31 57.50 1sjq n LYS 23 Cb 0.62 -4.77 -0.14 0.00 0.02 0.00 0.00 35.03 30.76 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 -7.18 2.75 -0.60 3.14 1.98 -1.22 -3.83 118.68 113.72 1sjq s LEU 24 Ca 0.44 -2.12 -0.18 0.00 -2.89 0.00 0.00 54.13 49.37 1sjq s LEU 24 Cb -0.24 -1.04 -0.18 0.00 0.66 0.00 0.00 46.19 45.40 1sjq s LEU 24 CO 0.93 -0.35 1.66 -2.65 -1.89 0.00 0.00 176.35 174.05 1sjq n PRO 25 N 4.22 0.05 -1.22 0.98 -0.02 -1.26 -3.35 135.00 134.40 1sjq n PRO 25 Ca 0.03 -1.06 -0.49 0.00 -2.02 0.00 0.00 63.50 59.96 1sjq n PRO 25 Cb 0.39 -2.81 -0.08 0.00 -0.02 0.00 0.00 33.50 30.98 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 7.30 0.00 0.00 4.25 2.08 -1.26 -3.54 119.36 128.18 1sjq n ILE 26 Ca 0.28 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.59 1sjq n ILE 26 Cb 0.46 -0.37 0.00 0.00 -0.75 0.00 0.00 39.64 38.98 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 3.35 0.00 -3.12 4.38 2.03 -1.26 -4.71 116.55 117.22 1sjq n ASP 27 Ca 0.26 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.57 1sjq n ASP 27 Cb -0.04 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.36 1sjq n ASP 27 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1sjq n VAL 28 N 0.00 0.00 -4.52 5.18 0.24 -1.23 -5.00 118.33 113.00 1sjq n VAL 28 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.99 1sjq n VAL 28 Cb 0.00 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.26 1sjq n VAL 28 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1sjq s THR 29 N 0.00 3.15 0.35 3.34 -4.23 -1.26 -5.02 115.64 111.98 1sjq s THR 29 Ca 0.00 -1.08 0.05 0.00 -1.18 0.00 0.00 61.69 59.49 1sjq s THR 29 Cb 0.00 -2.37 0.17 0.00 1.34 0.00 0.00 72.50 71.64 1sjq s THR 29 CO 0.00 0.31 1.90 -0.33 -0.54 0.00 0.00 174.62 175.97 1sjq h GLU 30 N 4.37 0.50 -0.91 3.99 3.07 -2.00 -2.50 114.58 121.10 1sjq h GLU 30 Ca -0.48 -0.10 0.12 0.00 -0.50 0.00 0.00 59.36 58.40 1sjq h GLU 30 Cb 1.16 -0.08 -0.07 0.00 -0.84 0.00 0.00 28.75 28.92 1sjq h GLU 30 CO 0.50 0.51 0.59 0.78 -1.40 0.00 0.00 179.01 179.99 1sjq h GLY 31 N 0.79 1.33 0.58 -3.84 0.00 -1.97 0.25 103.07 100.21 1sjq h GLY 31 Ca 0.11 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1sjq h GLY 31 CO 0.01 0.16 -0.25 0.83 0.00 0.00 0.00 176.54 177.28 1sjq h GLU 32 N 0.85 -0.68 -0.64 4.80 4.39 -1.88 0.25 114.58 121.68 1sjq h GLU 32 Ca 0.44 0.05 0.10 0.00 0.34 0.00 0.00 59.36 60.29 1sjq h GLU 32 Cb 0.52 0.15 -0.08 0.00 -0.10 0.00 0.00 28.75 29.25 1sjq h GLU 32 CO -0.20 -0.41 0.24 0.28 -1.16 0.00 0.00 179.01 177.76 1sjq h VAL 33 N -1.13 0.74 -0.56 3.13 2.07 -1.42 -0.86 116.25 118.22 1sjq h VAL 33 Ca -0.07 -0.14 -0.10 0.00 0.82 0.00 0.00 66.70 67.20 1sjq h VAL 33 Cb 0.58 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1sjq h VAL 33 CO 0.12 0.07 -0.06 0.40 0.02 0.00 0.00 177.57 178.12 1sjq h ILE 34 N 0.41 1.27 -0.94 4.57 5.03 -0.55 -2.75 117.51 124.54 1sjq h ILE 34 Ca 0.33 -1.21 0.29 0.00 -0.12 0.00 0.00 64.86 64.15 1sjq h ILE 34 Cb 0.43 0.89 -0.16 0.00 -3.03 0.00 0.00 36.82 34.95 1sjq h ILE 34 CO -0.33 0.43 0.30 -1.28 -0.68 0.00 0.00 178.15 176.59 1sjq h SER 35 N 0.92 0.05 1.30 1.72 0.87 0.99 2.29 113.55 121.68 1sjq h SER 35 Ca 0.15 0.22 -0.10 0.00 -1.23 0.00 0.00 61.79 60.84 1sjq h SER 35 Cb 0.61 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.85 1sjq h SER 35 CO 0.04 -0.24 -0.47 -0.07 -0.53 0.00 0.00 176.83 175.55 1sjq h LEU 36 N 0.15 0.00 0.00 2.23 3.38 -1.35 -3.12 115.31 116.61 1sjq h LEU 36 Ca 0.64 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.61 1sjq h LEU 36 Cb 1.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1sjq h LEU 36 CO -0.72 0.47 -0.12 1.23 0.09 0.00 0.00 178.44 179.40 1sjq h GLY 37 N 3.07 0.00 0.90 0.83 0.00 0.37 -3.34 103.07 104.89 1sjq h GLY 37 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1sjq h GLY 37 CO 0.06 0.00 -0.24 1.41 0.00 0.00 0.00 176.54 177.77 1sjq h LEU 38 N 0.00 -0.60 -0.08 3.11 4.07 0.64 -1.68 115.31 120.76 1sjq h LEU 38 Ca 0.00 0.04 0.02 0.00 0.08 0.00 0.00 57.88 58.01 1sjq h LEU 38 Cb 0.82 0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.72 1sjq h LEU 38 CO 0.00 -0.39 -0.03 -0.65 -1.08 0.00 0.00 178.44 176.30 1sjq h PRO 39 N -0.61 -0.01 -0.73 1.13 0.11 -1.74 -1.99 132.00 128.15 1sjq h PRO 39 Ca -0.04 0.00 0.17 0.00 0.11 0.00 0.00 66.00 66.24 1sjq h PRO 39 Cb 0.50 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.57 1sjq h PRO 39 CO 0.05 -0.01 0.50 0.74 -0.21 0.00 0.00 178.00 179.07 1sjq h PHE 40 N -0.01 0.29 0.00 0.65 0.04 -1.66 -3.47 116.94 112.78 1sjq h PHE 40 Ca 0.04 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1sjq h PHE 40 Cb 0.07 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.13 1sjq h PHE 40 CO -0.14 0.10 0.00 0.41 -0.60 0.00 0.00 178.31 178.08 1sjq n GLY 41 N -1.58 -1.12 3.27 -1.45 0.00 -0.64 -3.38 105.19 100.29 1sjq n GLY 41 Ca 0.14 0.43 -0.13 0.00 0.00 0.00 0.00 46.02 46.46 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 0.54 -0.36 1.61 1.02 -1.24 -4.48 119.74 116.83 1sjq s LYS 42 Ca 0.00 0.27 -0.24 0.00 0.02 0.00 0.00 55.97 56.02 1sjq s LYS 42 Cb 0.00 0.25 0.01 0.00 -0.52 0.00 0.00 37.83 37.57 1sjq s LYS 42 CO 0.00 -0.11 0.80 0.08 -0.92 0.00 0.00 175.35 175.21 1sjq s VAL 43 N -0.37 4.72 -1.80 3.17 1.01 -1.26 -2.85 120.40 123.01 1sjq s VAL 43 Ca -0.05 0.94 0.27 0.00 0.00 0.00 0.00 61.98 63.14 1sjq s VAL 43 Cb -0.03 -4.22 0.33 0.00 0.00 0.00 0.00 36.38 32.45 1sjq s VAL 43 CO 0.02 -0.43 1.63 0.35 0.00 0.00 0.00 175.10 176.67 1sjq n THR 44 N 5.79 0.00 0.00 3.92 -2.24 0.73 -4.94 114.28 117.55 1sjq n THR 44 Ca 0.04 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1sjq n THR 44 Cb 0.48 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 1sjq n THR 44 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1sjq n ASN 45 N -0.63 0.00 -3.78 3.42 4.13 -1.22 -4.90 115.26 112.29 1sjq n ASN 45 Ca 0.13 0.00 -0.19 0.00 1.68 0.00 0.00 54.58 56.20 1sjq n ASN 45 Cb 0.34 0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.41 1sjq n ASN 45 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1sjq s LEU 46 N 0.00 0.85 -0.07 3.41 2.96 -1.26 -1.69 118.68 122.87 1sjq s LEU 46 Ca 0.00 -0.02 -0.00 0.00 -0.22 0.00 0.00 54.13 53.89 1sjq s LEU 46 Cb 0.00 -0.26 0.02 0.00 0.50 0.00 0.00 46.19 46.46 1sjq s LEU 46 CO 0.00 -0.15 -0.03 -0.22 -1.32 0.00 0.00 176.35 174.63 1sjq s LEU 47 N 1.45 0.97 -0.22 -0.68 2.96 -0.57 -5.02 118.68 117.58 1sjq s LEU 47 Ca -0.04 -0.14 -0.05 0.00 -0.22 0.00 0.00 54.13 53.69 1sjq s LEU 47 Cb -0.13 -0.51 -0.02 0.00 0.50 0.00 0.00 46.19 46.03 1sjq s LEU 47 CO -0.03 -0.13 -0.01 -0.04 -1.32 0.00 0.00 176.35 174.83 1sjq s MET 48 N 1.52 3.51 -0.79 1.98 -1.94 -1.26 -0.34 119.30 121.98 1sjq s MET 48 Ca -0.01 -0.56 -0.15 0.00 -1.71 0.00 0.00 55.69 53.26 1sjq s MET 48 Cb -0.13 -3.09 0.20 0.00 2.01 0.00 0.00 34.83 33.82 1sjq s MET 48 CO -0.04 -0.12 0.76 -0.51 -0.01 0.00 0.00 175.02 175.11 1sjq s LEU 49 N 1.32 6.50 0.58 -0.03 1.43 -0.16 -4.90 118.68 123.42 1sjq s LEU 49 Ca 0.04 -2.48 0.39 0.00 -1.03 0.00 0.00 54.13 51.05 1sjq s LEU 49 Cb -0.15 -2.23 1.38 0.00 0.03 0.00 0.00 46.19 45.22 1sjq s LEU 49 CO 0.00 -0.67 1.49 0.11 0.23 0.00 0.00 176.35 177.51 1sjq h LYS 50 N 8.06 0.00 -6.33 1.70 1.79 -1.84 -3.10 116.57 116.85 1sjq h LYS 50 Ca 0.05 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.97 1sjq h LYS 50 Cb 1.05 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.67 1sjq h LYS 50 CO 0.83 0.00 0.33 0.20 -1.08 0.00 0.00 179.45 179.73 1sjq s GLY 51 N -3.70 2.81 -0.90 3.86 0.00 -1.26 -3.34 107.32 104.79 1sjq s GLY 51 Ca -0.04 0.45 0.00 0.00 0.00 0.00 0.00 44.72 45.13 1sjq s GLY 51 CO 0.70 1.61 0.00 0.28 0.00 0.00 0.00 173.10 175.69 1sjq n LYS 52 N 3.97 -1.05 -3.12 2.90 4.76 -1.26 -3.99 118.16 120.36 1sjq n LYS 52 Ca 0.05 0.73 -0.31 0.00 -2.87 0.00 0.00 58.31 55.91 1sjq n LYS 52 Cb 0.51 -4.76 0.03 0.00 -1.84 0.00 0.00 35.03 28.97 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 -0.33 -4.39 -3.72 4.39 5.03 -1.21 -4.89 115.26 110.14 1sjq n ASN 53 Ca -0.09 -0.22 -0.12 0.00 0.87 0.00 0.00 54.58 55.03 1sjq n ASN 53 Cb 0.39 -1.30 -0.11 0.00 -1.02 0.00 0.00 39.78 37.74 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 -2.31 0.37 0.38 3.52 -0.21 -1.17 -3.46 119.66 116.77 1sjq s GLN 54 Ca 0.28 0.66 0.08 0.00 0.02 0.00 0.00 55.36 56.40 1sjq s GLN 54 Cb -0.03 0.02 -0.03 0.00 1.00 0.00 0.00 33.01 33.97 1sjq s GLN 54 CO 0.72 -0.13 0.25 0.00 -2.12 0.00 0.00 175.29 174.02 1sjq s ALA 55 N 1.03 3.76 -0.18 6.09 0.00 -1.09 -0.99 121.76 130.39 1sjq s ALA 55 Ca -0.07 -1.89 -0.04 0.00 0.00 0.00 0.00 51.96 49.96 1sjq s ALA 55 Cb -0.07 -0.81 0.09 0.00 0.00 0.00 0.00 23.12 22.32 1sjq s ALA 55 CO -0.08 -0.10 0.30 -0.06 0.00 0.00 0.00 175.76 175.82 1sjq s PHE 56 N -2.46 -0.52 0.18 0.00 0.40 0.54 0.02 117.98 116.13 1sjq s PHE 56 Ca 0.42 0.87 0.06 0.00 -0.60 0.00 0.00 56.93 57.68 1sjq s PHE 56 Cb -0.02 -0.05 -0.04 0.00 0.51 0.00 0.00 43.02 43.43 1sjq s PHE 56 CO 0.25 -0.49 0.06 0.96 0.70 0.00 0.00 175.22 176.69 1sjq s ILE 57 N 2.45 4.04 -0.19 0.64 -4.36 -1.05 -1.51 121.20 121.22 1sjq s ILE 57 Ca 0.04 -1.30 0.01 0.00 -0.26 0.00 0.00 60.65 59.14 1sjq s ILE 57 Cb -0.13 -3.05 0.02 0.00 1.25 0.00 0.00 42.46 40.54 1sjq s ILE 57 CO -0.11 -0.13 -0.18 -0.70 0.24 0.00 0.00 174.94 174.06 1sjq s GLU 58 N -3.06 2.96 0.09 0.37 -6.30 -0.68 -1.07 118.70 111.00 1sjq s GLU 58 Ca 0.29 -0.86 -0.17 0.00 -2.50 0.00 0.00 54.97 51.73 1sjq s GLU 58 Cb -0.09 -2.62 -0.07 0.00 0.00 0.00 0.00 34.13 31.35 1sjq s GLU 58 CO 0.21 -0.24 0.55 -1.64 0.02 0.00 0.00 175.26 174.16 1sjq s MET 59 N 1.29 4.10 0.32 4.30 -1.94 -0.96 0.26 119.30 126.68 1sjq s MET 59 Ca 0.04 0.63 0.16 0.00 -1.71 0.00 0.00 55.69 54.81 1sjq s MET 59 Cb -0.14 -3.14 0.47 0.00 2.01 0.00 0.00 34.83 34.03 1sjq s MET 59 CO -0.12 0.60 1.64 -0.91 -0.01 0.00 0.00 175.02 176.22 1sjq h ASN 60 N 4.26 0.00 -4.22 3.03 2.35 -1.89 -3.44 115.58 115.66 1sjq h ASN 60 Ca -0.50 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 54.65 1sjq h ASN 60 Cb 1.21 0.00 -0.30 0.00 0.05 0.00 0.00 38.32 39.27 1sjq h ASN 60 CO 0.64 0.48 -0.86 0.28 -1.65 0.00 0.00 177.43 176.33 1sjq s THR 61 N -3.46 1.65 0.34 2.81 -1.32 -1.26 -5.02 115.64 109.38 1sjq s THR 61 Ca 0.00 -0.87 0.10 0.00 -1.21 0.00 0.00 61.69 59.72 1sjq s THR 61 Cb 0.11 -1.38 0.33 0.00 -1.51 0.00 0.00 72.50 70.05 1sjq s THR 61 CO 0.72 0.47 1.80 -0.33 -2.21 0.00 0.00 174.62 175.06 1sjq h GLU 62 N 5.87 0.61 -0.07 7.08 5.08 -1.97 0.50 114.58 131.69 1sjq h GLU 62 Ca -0.36 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 57.98 1sjq h GLU 62 Cb 1.15 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 1sjq h GLU 62 CO 0.48 0.41 0.06 1.49 -1.00 0.00 0.00 179.01 180.45 1sjq h GLU 63 N 0.63 0.00 -0.00 2.33 4.81 -1.95 -1.18 114.58 119.22 1sjq h GLU 63 Ca 0.55 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.71 1sjq h GLU 63 Cb 1.03 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.42 1sjq h GLU 63 CO -0.31 0.00 -0.29 0.00 -0.73 0.00 0.00 179.01 177.68 1sjq h ALA 64 N 1.94 0.04 0.71 2.92 0.00 -0.01 -2.82 119.26 122.04 1sjq h ALA 64 Ca 0.03 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1sjq h ALA 64 Cb 0.16 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1sjq h ALA 64 CO -0.00 0.11 -0.34 0.00 0.00 0.00 0.00 179.25 179.02 1sjq h ALA 65 N 0.26 -0.95 -0.00 0.00 0.00 -1.11 -2.17 119.26 115.29 1sjq h ALA 65 Ca -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1sjq h ALA 65 Cb 1.04 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1sjq h ALA 65 CO 0.06 -1.02 0.00 0.09 0.00 0.00 0.00 179.25 178.37 1sjq n ASN 66 N -5.49 0.00 -0.39 0.00 3.02 -0.50 -1.20 115.26 110.70 1sjq n ASN 66 Ca -0.14 1.00 0.38 0.00 -0.03 0.00 0.00 54.58 55.79 1sjq n ASN 66 Cb 0.39 -0.50 0.64 0.00 -0.61 0.00 0.00 39.78 39.69 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 0.07 0.47 3.41 2.02 -1.58 0.30 112.91 117.59 1sjq h THR 67 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1sjq h THR 67 Cb 0.00 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 1sjq h THR 67 CO 0.00 0.00 -0.24 -0.03 0.37 0.00 0.00 175.52 175.62 1sjq h MET 68 N 0.00 -0.62 -0.05 6.66 -1.53 -0.47 0.34 114.93 119.26 1sjq h MET 68 Ca 0.65 0.04 -0.23 0.00 -3.44 0.00 0.00 59.70 56.72 1sjq h MET 68 Cb 3.06 0.14 0.01 0.00 -0.55 0.00 0.00 31.60 34.26 1sjq h MET 68 CO -0.01 -0.41 -0.89 0.28 0.14 0.00 0.00 176.91 176.01 1sjq h VAL 69 N -0.64 1.34 0.60 -5.77 2.07 -0.89 -3.03 116.25 109.91 1sjq h VAL 69 Ca -0.06 -2.24 -0.03 0.00 0.82 0.00 0.00 66.70 65.19 1sjq h VAL 69 Cb 0.50 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1sjq h VAL 69 CO 0.10 0.68 -0.31 -1.13 0.02 0.00 0.00 177.57 176.93 1sjq h ASN 70 N 0.35 -0.76 -0.74 0.57 -1.24 -0.58 0.14 115.58 113.32 1sjq h ASN 70 Ca -0.08 0.03 0.16 0.00 0.71 0.00 0.00 56.30 57.12 1sjq h ASN 70 Cb 1.52 0.21 -0.11 0.00 0.73 0.00 0.00 38.32 40.67 1sjq h ASN 70 CO 0.17 -0.51 0.18 0.22 -1.29 0.00 0.00 177.43 176.20 1sjq h TYR 71 N -0.83 0.28 -0.14 0.67 3.20 -1.05 0.78 116.97 119.88 1sjq h TYR 71 Ca -0.08 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1sjq h TYR 71 Cb 0.65 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.91 1sjq h TYR 71 CO 0.04 -0.08 0.00 0.66 -1.64 0.00 0.00 178.16 177.14 1sjq n TYR 72 N -5.15 0.22 0.22 -3.82 4.01 -1.15 -3.95 117.16 107.55 1sjq n TYR 72 Ca 0.14 -0.10 0.06 0.00 -0.16 0.00 0.00 57.90 57.84 1sjq n TYR 72 Cb 0.46 -0.03 0.54 0.00 -0.31 0.00 0.00 39.34 40.00 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 0.83 1.09 0.00 -0.72 2.02 0.35 -3.30 112.91 113.17 1sjq h THR 73 Ca 0.00 -0.40 -0.12 0.00 0.77 0.00 0.00 66.41 66.66 1sjq h THR 73 Cb 0.28 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1sjq h THR 73 CO 0.02 0.12 -1.47 -0.24 0.37 0.00 0.00 175.52 174.32 1sjq n SER 74 N -4.40 3.36 -4.57 4.18 2.88 -1.25 -5.00 113.62 108.82 1sjq n SER 74 Ca -0.02 -0.04 -0.34 0.00 -1.33 0.00 0.00 58.87 57.13 1sjq n SER 74 Cb 0.19 -0.07 -0.11 0.00 -0.75 0.00 0.00 64.21 63.47 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 -2.16 4.37 -0.05 2.46 0.11 -1.24 -5.10 120.40 118.78 1sjq s VAL 75 Ca -0.10 -0.18 -0.07 0.00 -2.93 0.00 0.00 61.98 58.69 1sjq s VAL 75 Cb 0.03 -2.95 -0.04 0.00 -1.53 0.00 0.00 36.38 31.89 1sjq s VAL 75 CO 0.20 0.48 0.21 -0.89 -3.33 0.00 0.00 175.10 171.76 1sjq s THR 76 N 0.36 5.39 -0.06 5.04 2.01 -1.26 -4.08 115.64 123.04 1sjq s THR 76 Ca -0.00 0.19 -0.13 0.00 0.31 0.00 0.00 61.69 62.06 1sjq s THR 76 Cb -0.13 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 68.82 1sjq s THR 76 CO 0.01 0.49 0.34 -2.16 -0.69 0.00 0.00 174.62 172.61 1sjq s PRO 77 N -1.42 3.91 0.49 4.92 0.04 -1.26 -4.97 135.00 136.71 1sjq s PRO 77 Ca 0.22 0.25 0.01 0.00 0.04 0.00 0.00 61.00 61.53 1sjq s PRO 77 Cb -0.13 -3.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.14 1sjq s PRO 77 CO 0.11 0.60 0.05 1.33 0.04 0.00 0.00 177.00 179.13 1sjq n VAL 78 N 2.27 0.00 -3.64 -0.36 0.24 -1.26 -1.51 118.33 114.07 1sjq n VAL 78 Ca -0.14 -2.47 -0.27 0.00 -2.04 0.00 0.00 64.34 59.42 1sjq n VAL 78 Cb 0.53 0.63 -0.16 0.00 -1.47 0.00 0.00 33.84 33.36 1sjq n VAL 78 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1sjq s LEU 79 N 0.00 0.74 -1.25 1.34 2.01 0.82 -4.82 118.68 117.52 1sjq s LEU 79 Ca 0.07 -0.87 0.00 0.00 0.01 0.00 0.00 54.13 53.35 1sjq s LEU 79 Cb 0.00 -0.40 0.00 0.00 0.01 0.00 0.00 46.19 45.80 1sjq s LEU 79 CO 0.05 -0.36 0.00 0.54 1.01 0.00 0.00 176.35 177.59 1sjq n ARG 80 N 5.18 -1.59 0.00 1.70 1.74 -1.26 -0.88 116.66 121.55 1sjq n ARG 80 Ca -0.07 0.84 0.00 0.00 -0.77 0.00 0.00 57.85 57.85 1sjq n ARG 80 Cb 0.47 -5.12 0.00 0.00 -1.02 0.00 0.00 32.46 26.79 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 0.06 1.32 3.07 -0.13 0.00 -1.26 -5.09 105.19 103.16 1sjq n GLY 81 Ca -0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.23 1.90 0.18 1.61 2.00 -0.06 -5.09 119.66 119.98 1sjq s GLN 82 Ca 0.00 -2.02 -0.30 0.00 -2.00 0.00 0.00 55.36 51.04 1sjq s GLN 82 Cb 0.00 -3.45 -0.08 0.00 0.80 0.00 0.00 33.01 30.28 1sjq s GLN 82 CO 0.00 -1.05 1.09 -1.25 -0.50 0.00 0.00 175.29 173.58 1sjq s PRO 83 N 0.75 4.61 -0.18 1.67 0.04 -1.26 -0.12 135.00 140.50 1sjq s PRO 83 Ca 0.11 1.70 -0.04 0.00 0.04 0.00 0.00 61.00 62.81 1sjq s PRO 83 Cb -0.22 -3.28 0.06 0.00 0.04 0.00 0.00 34.50 31.10 1sjq s PRO 83 CO -0.05 0.09 0.06 0.96 0.04 0.00 0.00 177.00 178.11 1sjq s ILE 84 N -0.27 0.25 0.47 0.56 -4.36 -0.57 -4.78 121.20 112.51 1sjq s ILE 84 Ca 0.49 -0.38 -0.25 0.00 -0.26 0.00 0.00 60.65 60.26 1sjq s ILE 84 Cb -0.29 -0.82 -0.08 0.00 1.25 0.00 0.00 42.46 42.52 1sjq s ILE 84 CO 0.35 -0.24 1.42 -0.31 0.24 0.00 0.00 174.94 176.40 1sjq s TYR 85 N 1.98 2.41 -0.29 1.37 1.51 0.62 -4.48 117.35 120.48 1sjq s TYR 85 Ca 0.00 1.28 0.01 0.00 -1.01 0.00 0.00 57.07 57.36 1sjq s TYR 85 Cb -0.17 -3.91 0.08 0.00 -0.11 0.00 0.00 41.96 37.86 1sjq s TYR 85 CO -0.08 -2.96 0.02 0.42 -1.11 0.00 0.00 175.55 171.84 1sjq s ILE 86 N -1.22 1.56 0.45 2.71 1.01 -1.26 0.16 121.20 124.61 1sjq s ILE 86 Ca 0.63 -1.61 0.06 0.00 0.00 0.00 0.00 60.65 59.73 1sjq s ILE 86 Cb -0.43 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 1sjq s ILE 86 CO 0.55 -0.42 0.16 -1.10 0.00 0.00 0.00 174.94 174.13 1sjq s GLN 87 N 1.31 2.19 1.21 2.79 -0.21 0.16 -4.34 119.66 122.77 1sjq s GLN 87 Ca 0.04 -2.01 -0.20 0.00 0.02 0.00 0.00 55.36 53.21 1sjq s GLN 87 Cb -0.18 -1.88 0.30 0.00 1.00 0.00 0.00 33.01 32.25 1sjq s GLN 87 CO -0.12 -0.23 1.16 -0.06 -2.12 0.00 0.00 175.29 173.92 1sjq s PHE 88 N -2.69 0.28 0.03 0.91 0.08 -1.25 0.24 117.98 115.57 1sjq s PHE 88 Ca 0.33 0.34 0.06 0.00 0.12 0.00 0.00 56.93 57.77 1sjq s PHE 88 Cb 0.03 -3.65 -0.03 0.00 -0.57 0.00 0.00 43.02 38.80 1sjq s PHE 88 CO 0.18 -3.89 -0.14 -1.12 -0.10 0.00 0.00 175.22 170.15 1sjq s SER 89 N -4.20 4.09 -0.35 1.36 0.01 -0.28 -2.36 113.70 111.97 1sjq s SER 89 Ca 0.73 -0.33 0.02 0.00 1.31 0.00 0.00 55.95 57.68 1sjq s SER 89 Cb -0.06 -0.77 0.46 0.00 0.21 0.00 0.00 66.02 65.86 1sjq s SER 89 CO 0.55 0.26 1.71 0.59 0.41 0.00 0.00 173.24 176.77 1sjq n ASN 90 N 1.53 4.01 -4.31 2.44 4.13 -1.26 -4.89 115.26 116.90 1sjq n ASN 90 Ca -0.16 -3.20 -0.26 0.00 1.68 0.00 0.00 54.58 52.64 1sjq n ASN 90 Cb 0.52 -0.78 -0.09 0.00 -1.54 0.00 0.00 39.78 37.89 1sjq n ASN 90 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1sjq s HIS 91 N -2.44 1.85 -0.17 3.10 3.76 -1.26 -5.08 115.29 115.06 1sjq s HIS 91 Ca 0.42 -1.15 0.05 0.00 -0.15 0.00 0.00 55.06 54.24 1sjq s HIS 91 Cb 0.35 -1.28 -0.14 0.00 1.11 0.00 0.00 32.58 32.62 1sjq s HIS 91 CO 0.07 -0.13 -0.09 1.17 -0.85 0.00 0.00 174.74 174.91 1sjq n LYS 92 N -0.93 0.84 -4.12 1.40 4.81 -1.26 -4.95 118.16 113.95 1sjq n LYS 92 Ca -0.08 0.07 -0.09 0.00 -0.87 0.00 0.00 58.31 57.34 1sjq n LYS 92 Cb 0.66 -1.37 -0.10 0.00 0.02 0.00 0.00 35.03 34.24 1sjq n LYS 92 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1sjq s GLU 93 N -2.36 0.90 -0.46 1.64 2.02 -1.26 -4.95 118.70 114.23 1sjq s GLU 93 Ca -0.19 -1.38 -0.25 0.00 0.02 0.00 0.00 54.97 53.16 1sjq s GLU 93 Cb 0.06 0.25 0.03 0.00 0.10 0.00 0.00 34.13 34.56 1sjq s GLU 93 CO 0.48 -0.25 0.92 -1.17 0.02 0.00 0.00 175.26 175.25 1sjq s LEU 94 N -3.02 4.02 -0.13 1.80 0.20 -1.26 -5.03 118.68 115.27 1sjq s LEU 94 Ca 0.21 0.10 -0.04 0.00 0.69 0.00 0.00 54.13 55.08 1sjq s LEU 94 Cb 0.07 -3.18 -0.04 0.00 -0.43 0.00 0.00 46.19 42.62 1sjq s LEU 94 CO -0.00 -1.04 0.04 -0.75 -0.29 0.00 0.00 176.35 174.30 1sjq s LYS 95 N 3.73 3.41 -0.02 1.98 2.20 -1.26 -5.09 119.74 124.69 1sjq s LYS 95 Ca 0.37 -0.35 -0.29 0.00 -0.36 0.00 0.00 55.97 55.34 1sjq s LYS 95 Cb -0.10 -2.99 -0.03 0.00 -1.51 0.00 0.00 37.83 33.20 1sjq s LYS 95 CO 0.26 0.55 0.93 0.95 -0.36 0.00 0.00 175.35 177.68 1sjq s THR 96 N -0.44 4.90 -0.07 3.43 -4.23 -1.26 -4.92 115.64 113.05 1sjq s THR 96 Ca 0.09 1.93 0.01 0.00 -1.18 0.00 0.00 61.69 62.54 1sjq s THR 96 Cb -0.12 -4.26 -0.04 0.00 1.34 0.00 0.00 72.50 69.41 1sjq s THR 96 CO 0.02 0.16 -0.06 -0.67 -0.54 0.00 0.00 174.62 173.54 1sjq n ASP 97 N 3.98 3.49 -3.57 3.99 -0.08 -1.26 -5.12 116.55 117.98 1sjq n ASP 97 Ca 0.05 -0.03 0.03 0.00 -1.51 0.00 0.00 54.79 53.33 1sjq n ASP 97 Cb 0.51 -0.07 -0.00 0.00 2.34 0.00 0.00 41.12 43.90 1sjq n ASP 97 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1sjq s SER 98 N -4.60 -0.01 0.00 1.67 0.15 -1.26 -5.31 113.70 104.34 1sjq s SER 98 Ca -0.09 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.53 1sjq s SER 98 Cb 0.02 0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 1sjq s SER 98 CO 0.16 -0.08 0.12 -1.54 1.20 0.00 0.00 173.24 173.10