#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjq s GLY 13 N 0.00 0.31 0.15 5.00 0.00 -1.26 -5.19 107.32 106.34 1sjq s GLY 13 Ca 0.00 -0.66 -0.17 0.00 0.00 0.00 0.00 44.72 43.89 1sjq s GLY 13 CO 0.00 -0.40 0.46 -1.34 0.00 0.00 0.00 173.10 171.82 1sjq s VAL 14 N -3.81 0.05 0.07 1.40 -7.23 -1.26 -5.09 120.40 104.54 1sjq s VAL 14 Ca 0.18 -0.62 -0.26 0.00 -1.81 0.00 0.00 61.98 59.46 1sjq s VAL 14 Cb -0.03 -1.32 -0.12 0.00 0.56 0.00 0.00 36.38 35.47 1sjq s VAL 14 CO 0.09 -0.22 1.41 -0.65 -0.31 0.00 0.00 175.10 175.43 1sjq h PRO 15 N 2.28 -0.62 -2.09 4.82 0.11 -2.03 -3.47 132.00 131.00 1sjq h PRO 15 Ca -0.32 0.04 0.19 0.00 0.11 0.00 0.00 66.00 66.02 1sjq h PRO 15 Cb 1.26 0.14 -0.10 0.00 0.11 0.00 0.00 31.00 32.41 1sjq h PRO 15 CO 0.43 -0.41 -0.74 0.45 -0.21 0.00 0.00 178.00 177.51 1sjq n SER 16 N -4.71 -4.67 0.00 -2.05 2.88 -1.26 -4.39 113.62 99.43 1sjq n SER 16 Ca -0.07 0.90 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 1sjq n SER 16 Cb 0.32 -2.91 0.00 0.00 -0.75 0.00 0.00 64.21 60.87 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 -3.27 0.00 -3.49 -1.46 0.63 -1.26 -4.70 116.66 103.11 1sjq n ARG 17 Ca -0.05 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.45 1sjq n ARG 17 Cb 0.40 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.21 1sjq n ARG 17 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1sjq s VAL 18 N -1.27 4.95 -0.38 5.15 1.01 -1.26 -2.98 120.40 125.62 1sjq s VAL 18 Ca 0.00 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 60.87 1sjq s VAL 18 Cb 0.00 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1sjq s VAL 18 CO 0.00 -0.40 0.53 -0.63 0.00 0.00 0.00 175.10 174.61 1sjq s ILE 19 N 1.60 4.98 -0.30 2.22 1.09 -1.01 -3.96 121.20 125.83 1sjq s ILE 19 Ca 0.04 0.22 -0.25 0.00 -1.10 0.00 0.00 60.65 59.56 1sjq s ILE 19 Cb -0.21 -4.02 0.00 0.00 -1.06 0.00 0.00 42.46 37.17 1sjq s ILE 19 CO 0.07 -0.32 0.89 -2.28 -0.10 0.00 0.00 174.94 173.20 1sjq s HIS 20 N 2.46 3.21 -0.71 3.97 5.65 0.74 -2.95 115.29 127.66 1sjq s HIS 20 Ca 0.19 1.00 -0.22 0.00 0.25 0.00 0.00 55.06 56.27 1sjq s HIS 20 Cb -0.15 -3.32 0.08 0.00 -1.18 0.00 0.00 32.58 28.00 1sjq s HIS 20 CO 0.14 -0.59 1.01 0.42 -0.65 0.00 0.00 174.74 175.07 1sjq s ILE 21 N 3.14 4.35 1.01 0.89 1.01 0.72 -0.90 121.20 131.41 1sjq s ILE 21 Ca 0.37 -0.51 -0.16 0.00 0.00 0.00 0.00 60.65 60.34 1sjq s ILE 21 Cb -0.14 -4.72 0.21 0.00 0.01 0.00 0.00 42.46 37.83 1sjq s ILE 21 CO 0.12 -1.49 1.26 -0.60 0.00 0.00 0.00 174.94 174.23 1sjq s ARG 22 N 3.96 0.31 -1.45 2.79 3.00 0.32 -2.72 118.95 125.16 1sjq s ARG 22 Ca 0.25 -0.29 -0.18 0.00 -1.00 0.00 0.00 55.73 54.51 1sjq s ARG 22 Cb -0.14 -1.80 0.18 0.00 0.00 0.00 0.00 34.95 33.20 1sjq s ARG 22 CO 0.07 -2.66 0.46 1.17 0.00 0.00 0.00 175.30 174.35 1sjq n LYS 23 N -3.97 -0.96 -3.93 5.12 3.00 -1.26 -0.56 118.16 115.60 1sjq n LYS 23 Ca 0.14 0.11 -0.31 0.00 -0.00 0.00 0.00 58.31 58.25 1sjq n LYS 23 Cb 0.59 -4.04 -0.15 0.00 0.00 0.00 0.00 35.03 31.44 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 -6.15 4.00 -0.41 3.14 0.20 -1.23 -3.67 118.68 114.56 1sjq s LEU 24 Ca 0.65 -2.01 -0.25 0.00 0.69 0.00 0.00 54.13 53.21 1sjq s LEU 24 Cb -0.38 -1.40 -0.28 0.00 -0.43 0.00 0.00 46.19 43.71 1sjq s LEU 24 CO 0.79 -0.39 1.67 -2.65 -0.29 0.00 0.00 176.35 175.48 1sjq n PRO 25 N 4.43 0.03 -1.14 0.98 -0.02 -1.26 -3.12 135.00 134.90 1sjq n PRO 25 Ca 0.02 -1.13 -0.45 0.00 -2.02 0.00 0.00 63.50 59.92 1sjq n PRO 25 Cb 0.42 -2.84 -0.07 0.00 -0.02 0.00 0.00 33.50 30.99 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 7.39 0.00 0.00 4.25 2.08 -1.26 -3.68 119.36 128.14 1sjq n ILE 26 Ca 0.39 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.70 1sjq n ILE 26 Cb 0.43 -0.33 0.00 0.00 -0.75 0.00 0.00 39.64 38.99 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 2.78 0.00 -2.88 4.38 2.03 -1.26 -4.54 116.55 117.06 1sjq n ASP 27 Ca 0.21 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.52 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 -4.43 5.18 0.24 -1.24 -4.99 118.33 113.08 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 3.47 0.02 3.34 -4.23 -1.26 -5.04 115.64 111.94 1sjq s THR 29 Ca 0.00 -0.94 -0.27 0.00 -1.18 0.00 0.00 61.69 59.30 1sjq s THR 29 Cb 0.00 -2.53 -0.16 0.00 1.34 0.00 0.00 72.50 71.15 1sjq s THR 29 CO 0.00 0.32 1.28 -0.08 -0.54 0.00 0.00 174.62 175.60 1sjq h GLU 30 N 4.30 -0.60 -1.68 3.99 4.57 -2.00 -2.87 114.58 120.30 1sjq h GLU 30 Ca -0.48 0.04 0.53 0.00 -1.18 0.00 0.00 59.36 58.26 1sjq h GLU 30 Cb 1.17 0.14 -0.11 0.00 -0.16 0.00 0.00 28.75 29.78 1sjq h GLU 30 CO 0.53 -0.30 1.15 0.41 -1.18 0.00 0.00 179.01 179.62 1sjq n GLY 31 N -0.62 -0.92 0.28 1.92 0.00 -1.26 0.10 105.19 104.70 1sjq n GLY 31 Ca -0.11 0.73 -0.12 0.00 0.00 0.00 0.00 46.02 46.52 1sjq n GLY 31 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1sjq h GLU 32 N 0.00 -0.63 -0.19 1.61 4.57 -1.93 0.68 114.58 118.69 1sjq h GLU 32 Ca 0.91 0.04 0.01 0.00 -1.18 0.00 0.00 59.36 59.15 1sjq h GLU 32 Cb 3.31 0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 32.02 1sjq h GLU 32 CO -0.25 -0.34 0.09 0.28 -1.18 0.00 0.00 179.01 177.61 1sjq h VAL 33 N -1.08 0.99 -0.56 0.32 2.07 -0.26 -2.38 116.25 115.35 1sjq h VAL 33 Ca -0.07 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 1sjq h VAL 33 Cb 0.57 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1sjq h VAL 33 CO 0.11 0.04 0.05 0.40 0.02 0.00 0.00 177.57 178.19 1sjq h ILE 34 N 0.19 1.25 -0.95 4.57 5.03 -0.54 -2.66 117.51 124.41 1sjq h ILE 34 Ca 0.08 -1.01 0.25 0.00 -0.12 0.00 0.00 64.86 64.06 1sjq h ILE 34 Cb 0.02 0.76 -0.13 0.00 -3.03 0.00 0.00 36.82 34.44 1sjq h ILE 34 CO -0.06 0.37 0.48 -1.28 -0.68 0.00 0.00 178.15 176.98 1sjq h SER 35 N 0.87 0.46 0.27 1.72 0.87 0.91 0.91 113.55 119.57 1sjq h SER 35 Ca 0.17 0.16 -0.15 0.00 -1.23 0.00 0.00 61.79 60.74 1sjq h SER 35 Cb 0.44 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 1sjq h SER 35 CO 0.02 0.00 -0.57 -0.07 -0.53 0.00 0.00 176.83 175.68 1sjq h LEU 36 N 0.44 0.35 -1.25 2.23 4.07 -1.28 -2.94 115.31 116.94 1sjq h LEU 36 Ca 0.62 -0.19 -0.05 0.00 0.08 0.00 0.00 57.88 58.33 1sjq h LEU 36 Cb 1.22 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.85 1sjq h LEU 36 CO -0.53 0.85 -0.26 1.23 -1.08 0.00 0.00 178.44 178.65 1sjq h GLY 37 N 1.35 0.00 -0.82 0.83 0.00 0.88 -3.29 103.07 102.03 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 0.09 0.00 -0.57 1.41 0.00 0.00 0.00 176.54 177.47 1sjq h LEU 38 N 0.00 -2.05 -2.31 3.11 4.07 -0.57 0.95 115.31 118.50 1sjq h LEU 38 Ca -0.00 0.30 -0.01 0.00 0.08 0.00 0.00 57.88 58.25 1sjq h LEU 38 Cb 0.70 0.89 -0.00 0.00 1.08 0.00 0.00 40.66 43.33 1sjq h LEU 38 CO 0.03 -0.28 -0.04 1.55 -1.08 0.00 0.00 178.44 178.62 1sjq h PRO 39 N -0.12 0.00 0.04 1.13 0.13 -1.76 -2.18 132.00 129.24 1sjq h PRO 39 Ca 0.14 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 65.00 1sjq h PRO 39 Cb 0.47 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.62 1sjq h PRO 39 CO -0.84 0.04 -1.09 0.74 -0.23 0.00 0.00 178.00 176.63 1sjq h PHE 40 N 0.00 0.91 0.00 1.56 0.04 0.53 -3.49 116.94 116.48 1sjq h PHE 40 Ca -0.00 -0.52 0.00 0.00 2.80 0.00 0.00 57.97 60.25 1sjq h PHE 40 Cb 0.18 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.24 1sjq h PHE 40 CO 0.00 1.36 0.00 0.41 -0.60 0.00 0.00 178.31 179.48 1sjq n GLY 41 N 1.16 -1.16 3.27 -1.45 0.00 0.15 -3.02 105.19 104.13 1sjq n GLY 41 Ca -0.11 0.44 -0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 0.61 -0.40 1.61 1.02 -1.26 -4.57 119.74 116.75 1sjq s LYS 42 Ca 0.00 0.08 -0.24 0.00 0.02 0.00 0.00 55.97 55.83 1sjq s LYS 42 Cb 0.00 0.28 0.02 0.00 -0.52 0.00 0.00 37.83 37.61 1sjq s LYS 42 CO 0.00 -0.15 0.83 0.08 -0.92 0.00 0.00 175.35 175.19 1sjq s VAL 43 N -0.79 4.65 -0.73 3.17 1.01 -1.26 -3.00 120.40 123.44 1sjq s VAL 43 Ca -0.09 0.78 0.25 0.00 0.00 0.00 0.00 61.98 62.92 1sjq s VAL 43 Cb -0.04 -4.29 0.05 0.00 0.00 0.00 0.00 36.38 32.10 1sjq s VAL 43 CO 0.03 -0.59 1.38 0.35 0.00 0.00 0.00 175.10 176.27 1sjq n THR 44 N 6.01 0.27 0.00 3.92 -2.24 0.46 -4.89 114.28 117.80 1sjq n THR 44 Ca 0.04 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1sjq n THR 44 Cb 0.48 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 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 -1.96 0.00 -4.02 3.42 4.05 -1.19 -4.92 115.26 110.64 1sjq n ASN 45 Ca 0.04 0.00 -0.31 0.00 0.45 0.00 0.00 54.58 54.76 1sjq n ASN 45 Cb 0.41 0.00 -0.16 0.00 1.23 0.00 0.00 39.78 41.26 1sjq n ASN 45 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1sjq s LEU 46 N 0.00 2.04 -0.12 1.20 1.98 -1.26 0.38 118.68 122.90 1sjq s LEU 46 Ca 0.00 -0.70 0.02 0.00 -2.89 0.00 0.00 54.13 50.56 1sjq s LEU 46 Cb 0.00 -1.24 -0.00 0.00 0.66 0.00 0.00 46.19 45.60 1sjq s LEU 46 CO 0.00 -0.09 -0.19 -0.22 -1.89 0.00 0.00 176.35 173.95 1sjq s LEU 47 N 1.42 2.32 -0.10 -0.68 0.20 0.48 -4.98 118.68 117.34 1sjq s LEU 47 Ca 0.02 -0.49 -0.03 0.00 0.69 0.00 0.00 54.13 54.32 1sjq s LEU 47 Cb -0.14 -1.49 -0.03 0.00 -0.43 0.00 0.00 46.19 44.09 1sjq s LEU 47 CO -0.10 0.14 0.02 -0.04 -0.29 0.00 0.00 176.35 176.08 1sjq s MET 48 N 0.49 3.11 -0.31 1.98 -1.94 -1.26 -0.87 119.30 120.49 1sjq s MET 48 Ca -0.13 -0.38 0.04 0.00 -1.71 0.00 0.00 55.69 53.50 1sjq s MET 48 Cb -0.17 -2.86 0.08 0.00 2.01 0.00 0.00 34.83 33.90 1sjq s MET 48 CO 0.05 0.67 -0.01 -0.51 -0.01 0.00 0.00 175.02 175.21 1sjq s LEU 49 N -0.78 4.22 0.49 -0.03 1.43 -0.82 -4.96 118.68 118.23 1sjq s LEU 49 Ca 0.12 -1.86 0.26 0.00 -1.03 0.00 0.00 54.13 51.62 1sjq s LEU 49 Cb -0.12 -1.59 1.40 0.00 0.03 0.00 0.00 46.19 45.92 1sjq s LEU 49 CO 0.02 -0.31 1.76 0.11 0.23 0.00 0.00 176.35 178.16 1sjq h LYS 50 N 7.68 0.00 -5.99 1.70 6.56 -1.85 -3.04 116.57 121.64 1sjq h LYS 50 Ca -0.10 0.00 -0.59 0.00 -1.06 0.00 0.00 60.65 58.90 1sjq h LYS 50 Cb 1.03 0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 32.60 1sjq h LYS 50 CO 0.50 0.00 0.57 0.20 -2.06 0.00 0.00 179.45 178.66 1sjq s GLY 51 N -3.60 1.64 0.00 3.86 0.00 -1.26 -3.48 107.32 104.48 1sjq s GLY 51 Ca -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.38 1sjq s GLY 51 CO 0.23 1.96 0.00 1.17 0.00 0.00 0.00 173.10 176.46 1sjq n LYS 52 N 6.50 0.00 -2.81 2.90 3.00 -1.26 -4.34 118.16 122.14 1sjq n LYS 52 Ca 0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.32 1sjq n LYS 52 Cb 0.48 -1.44 0.01 0.00 0.00 0.00 0.00 35.03 34.07 1sjq n LYS 52 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1sjq n ASN 53 N 0.00 -7.55 -3.67 3.14 5.03 -1.23 -4.90 115.26 106.09 1sjq n ASN 53 Ca 0.00 0.36 -0.09 0.00 0.87 0.00 0.00 54.58 55.72 1sjq n ASN 53 Cb 0.00 -5.11 -0.09 0.00 -1.02 0.00 0.00 39.78 33.56 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 -2.63 0.53 0.30 3.52 -0.21 -1.15 -3.49 119.66 116.54 1sjq s GLN 54 Ca 0.18 0.96 0.08 0.00 0.02 0.00 0.00 55.36 56.59 1sjq s GLN 54 Cb -0.05 0.06 -0.04 0.00 1.00 0.00 0.00 33.01 33.99 1sjq s GLN 54 CO 0.72 -0.15 0.14 0.00 -2.12 0.00 0.00 175.29 173.88 1sjq s ALA 55 N 1.40 3.49 -0.14 6.09 0.00 -1.10 -1.95 121.76 129.55 1sjq s ALA 55 Ca -0.09 -1.66 -0.04 0.00 0.00 0.00 0.00 51.96 50.17 1sjq s ALA 55 Cb -0.07 -0.95 0.07 0.00 0.00 0.00 0.00 23.12 22.17 1sjq s ALA 55 CO -0.14 0.14 0.21 -0.06 0.00 0.00 0.00 175.76 175.91 1sjq s PHE 56 N -2.31 -0.27 0.18 0.00 0.40 -0.05 -0.20 117.98 115.72 1sjq s PHE 56 Ca 0.35 0.54 0.07 0.00 -0.60 0.00 0.00 56.93 57.30 1sjq s PHE 56 Cb -0.05 -0.25 -0.04 0.00 0.51 0.00 0.00 43.02 43.19 1sjq s PHE 56 CO 0.23 -0.42 0.02 0.96 0.70 0.00 0.00 175.22 176.71 1sjq s ILE 57 N 2.34 3.82 -0.17 0.64 -4.36 -1.15 -0.39 121.20 121.92 1sjq s ILE 57 Ca 0.04 -1.40 0.01 0.00 -0.26 0.00 0.00 60.65 59.03 1sjq s ILE 57 Cb -0.13 -2.93 0.02 0.00 1.25 0.00 0.00 42.46 40.67 1sjq s ILE 57 CO -0.09 -0.13 -0.17 -1.61 0.24 0.00 0.00 174.94 173.19 1sjq s GLU 58 N -3.02 2.62 0.09 0.37 0.41 0.16 -2.42 118.70 116.92 1sjq s GLU 58 Ca 0.28 -0.75 -0.16 0.00 -0.41 0.00 0.00 54.97 53.93 1sjq s GLU 58 Cb -0.09 -2.40 -0.07 0.00 -1.78 0.00 0.00 34.13 29.80 1sjq s GLU 58 CO 0.19 -0.25 0.52 -1.64 -0.49 0.00 0.00 175.26 173.59 1sjq s MET 59 N 1.36 4.02 0.42 1.61 -1.94 -1.16 0.17 119.30 123.79 1sjq s MET 59 Ca 0.04 0.53 0.23 0.00 -1.71 0.00 0.00 55.69 54.78 1sjq s MET 59 Cb -0.13 -3.08 0.79 0.00 2.01 0.00 0.00 34.83 34.41 1sjq s MET 59 CO -0.11 0.57 1.77 -0.91 -0.01 0.00 0.00 175.02 176.33 1sjq h ASN 60 N 4.07 0.00 -3.97 3.03 2.35 -1.91 -3.44 115.58 115.72 1sjq h ASN 60 Ca -0.49 0.00 -0.46 0.00 -0.55 0.00 0.00 56.30 54.79 1sjq h ASN 60 Cb 1.20 0.00 -0.30 0.00 0.05 0.00 0.00 38.32 39.27 1sjq h ASN 60 CO 0.64 0.25 -0.80 0.28 -1.65 0.00 0.00 177.43 176.15 1sjq s THR 61 N -3.55 0.98 0.29 2.81 -1.32 -1.26 -5.03 115.64 108.56 1sjq s THR 61 Ca 0.01 -0.49 0.03 0.00 -1.21 0.00 0.00 61.69 60.03 1sjq s THR 61 Cb 0.10 -0.84 0.28 0.00 -1.51 0.00 0.00 72.50 70.52 1sjq s THR 61 CO 0.65 0.29 1.70 -0.33 -2.21 0.00 0.00 174.62 174.72 1sjq h GLU 62 N 6.14 0.39 -0.70 7.08 5.08 -1.84 0.62 114.58 131.35 1sjq h GLU 62 Ca -0.33 -0.02 0.20 0.00 -1.00 0.00 0.00 59.36 58.21 1sjq h GLU 62 Cb 1.17 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 1sjq h GLU 62 CO 0.49 0.26 0.50 0.93 -1.00 0.00 0.00 179.01 180.19 1sjq h GLU 63 N 0.41 0.01 0.02 2.33 3.07 -1.89 0.29 114.58 118.82 1sjq h GLU 63 Ca 0.55 -0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 59.33 1sjq h GLU 63 Cb 1.02 -0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.93 1sjq h GLU 63 CO -0.52 0.00 -0.32 0.00 -1.40 0.00 0.00 179.01 176.77 1sjq h ALA 64 N 1.65 0.01 0.65 3.43 0.00 0.34 -2.36 119.26 122.97 1sjq h ALA 64 Ca 0.33 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1sjq h ALA 64 Cb 1.33 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.15 1sjq h ALA 64 CO -0.01 0.14 -0.31 0.00 0.00 0.00 0.00 179.25 179.07 1sjq h ALA 65 N 0.19 -0.87 0.45 0.00 0.00 -0.83 -2.66 119.26 115.53 1sjq h ALA 65 Ca -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1sjq h ALA 65 Cb 1.13 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 1sjq h ALA 65 CO 0.06 -0.85 -0.49 -0.91 0.00 0.00 0.00 179.25 177.06 1sjq h ASN 66 N -1.16 -1.37 -0.96 0.00 2.35 -0.66 -2.51 115.58 111.27 1sjq h ASN 66 Ca -0.09 0.12 0.21 0.00 -0.55 0.00 0.00 56.30 55.99 1sjq h ASN 66 Cb 0.70 0.46 -0.18 0.00 0.05 0.00 0.00 38.32 39.35 1sjq h ASN 66 CO 0.15 -0.64 -0.16 0.74 -1.65 0.00 0.00 177.43 175.87 1sjq h THR 67 N -0.96 0.05 -0.26 2.81 2.02 -1.52 0.43 112.91 115.47 1sjq h THR 67 Ca -0.05 -0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.16 1sjq h THR 67 Cb 0.85 0.04 -0.06 0.00 -1.74 0.00 0.00 68.15 67.24 1sjq h THR 67 CO -0.09 0.00 -0.39 -0.03 0.37 0.00 0.00 175.52 175.38 1sjq h MET 68 N 0.01 -0.29 0.00 6.66 1.85 -1.07 0.35 114.93 122.44 1sjq h MET 68 Ca 0.49 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.60 1sjq h MET 68 Cb 0.84 0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.93 1sjq h MET 68 CO -0.96 -0.19 0.00 0.28 -0.40 0.00 0.00 176.91 175.64 1sjq h VAL 69 N -0.30 0.00 0.22 -5.77 2.07 -0.98 -2.65 116.25 108.84 1sjq h VAL 69 Ca 0.05 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1sjq h VAL 69 Cb 0.43 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1sjq h VAL 69 CO -0.41 0.00 -0.10 -1.13 0.02 0.00 0.00 177.57 175.95 1sjq h ASN 70 N 0.00 -0.24 0.07 0.57 -0.73 0.34 -2.96 115.58 112.63 1sjq h ASN 70 Ca 0.00 0.01 -0.00 0.00 1.87 0.00 0.00 56.30 58.17 1sjq h ASN 70 Cb 0.36 0.06 -0.00 0.00 0.27 0.00 0.00 38.32 39.01 1sjq h ASN 70 CO 0.00 0.01 -0.02 0.22 -0.37 0.00 0.00 177.43 177.27 1sjq h TYR 71 N -0.67 0.00 -0.38 0.67 3.20 -0.69 -0.04 116.97 119.06 1sjq h TYR 71 Ca -0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1sjq h TYR 71 Cb 0.22 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.49 1sjq h TYR 71 CO 0.03 0.02 0.00 0.66 -1.64 0.00 0.00 178.16 177.23 1sjq n TYR 72 N -3.70 1.38 0.12 -3.82 4.01 -1.00 -4.05 117.16 110.09 1sjq n TYR 72 Ca -0.03 -0.48 -0.03 0.00 -0.16 0.00 0.00 57.90 57.21 1sjq n TYR 72 Cb 0.11 -0.37 0.16 0.00 -0.31 0.00 0.00 39.34 38.92 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 2.63 1.42 0.00 -0.72 2.02 -0.81 -3.40 112.91 114.05 1sjq h THR 73 Ca 0.00 -2.04 -0.03 0.00 0.77 0.00 0.00 66.41 65.12 1sjq h THR 73 Cb 1.48 2.07 -0.00 0.00 -1.74 0.00 0.00 68.15 69.96 1sjq h THR 73 CO 0.33 0.59 -1.04 -1.20 0.37 0.00 0.00 175.52 174.57 1sjq n SER 74 N -3.84 0.18 -4.65 4.18 7.64 -1.26 -5.00 113.62 110.87 1sjq n SER 74 Ca -0.02 0.03 -0.42 0.00 1.01 0.00 0.00 58.87 59.47 1sjq n SER 74 Cb 0.61 -0.07 -0.03 0.00 -1.01 0.00 0.00 64.21 63.71 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 -2.03 4.75 0.14 0.44 1.01 -1.26 -5.04 120.40 118.42 1sjq s VAL 75 Ca -0.02 1.79 -0.20 0.00 0.00 0.00 0.00 61.98 63.55 1sjq s VAL 75 Cb 0.01 -4.22 -0.07 0.00 0.00 0.00 0.00 36.38 32.10 1sjq s VAL 75 CO 0.03 -0.13 0.64 -0.89 0.00 0.00 0.00 175.10 174.75 1sjq s THR 76 N 3.03 4.65 0.01 3.92 2.01 -1.26 -4.34 115.64 123.65 1sjq s THR 76 Ca 0.39 1.26 -0.10 0.00 0.31 0.00 0.00 61.69 63.56 1sjq s THR 76 Cb -0.15 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.40 1sjq s THR 76 CO 0.07 0.41 0.32 -2.16 -0.69 0.00 0.00 174.62 172.57 1sjq s PRO 77 N -1.47 3.70 0.43 4.92 0.04 -1.26 -4.98 135.00 136.38 1sjq s PRO 77 Ca 0.35 0.12 0.04 0.00 0.04 0.00 0.00 61.00 61.54 1sjq s PRO 77 Cb -0.19 -3.11 -0.01 0.00 0.04 0.00 0.00 34.50 31.23 1sjq s PRO 77 CO 0.21 0.65 0.13 1.33 0.04 0.00 0.00 177.00 179.36 1sjq n VAL 78 N 1.36 0.00 -3.56 -0.36 0.24 -1.26 0.81 118.33 115.57 1sjq n VAL 78 Ca -0.12 -2.42 -0.24 0.00 -2.04 0.00 0.00 64.34 59.52 1sjq n VAL 78 Cb 0.53 0.82 -0.15 0.00 -1.47 0.00 0.00 33.84 33.56 1sjq n VAL 78 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1sjq s LEU 79 N 0.00 0.21 -0.84 1.34 0.20 0.14 -4.82 118.68 114.92 1sjq s LEU 79 Ca 0.18 -0.58 0.00 0.00 0.69 0.00 0.00 54.13 54.42 1sjq s LEU 79 Cb 0.01 -0.05 0.00 0.00 -0.43 0.00 0.00 46.19 45.72 1sjq s LEU 79 CO 0.13 -0.35 0.00 0.54 -0.29 0.00 0.00 176.35 176.37 1sjq n ARG 80 N 5.29 -1.67 0.00 1.98 1.74 -1.26 -1.11 116.66 121.63 1sjq n ARG 80 Ca -0.06 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 57.78 1sjq n ARG 80 Cb 0.48 -5.14 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 0.22 1.22 3.14 -0.13 0.00 -1.26 -5.09 105.19 103.30 1sjq n GLY 81 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.34 2.16 0.02 1.61 2.00 -0.27 -5.07 119.66 119.77 1sjq s GLN 82 Ca 0.00 -1.61 -0.30 0.00 -2.00 0.00 0.00 55.36 51.45 1sjq s GLN 82 Cb 0.00 -3.44 -0.08 0.00 0.80 0.00 0.00 33.01 30.29 1sjq s GLN 82 CO 0.00 -0.90 1.82 -2.14 -0.50 0.00 0.00 175.29 173.56 1sjq s PRO 83 N 1.19 4.16 -0.27 1.67 0.02 -1.26 0.26 135.00 140.77 1sjq s PRO 83 Ca 0.04 2.44 0.02 0.00 0.02 0.00 0.00 61.00 63.52 1sjq s PRO 83 Cb -0.21 -3.99 0.07 0.00 0.02 0.00 0.00 34.50 30.38 1sjq s PRO 83 CO -0.03 -0.88 -0.05 0.96 -0.33 0.00 0.00 177.00 176.67 1sjq s ILE 84 N 3.97 1.93 0.41 2.83 -4.36 0.24 -4.59 121.20 121.62 1sjq s ILE 84 Ca 0.81 -1.64 -0.27 0.00 -0.26 0.00 0.00 60.65 59.30 1sjq s ILE 84 Cb -0.39 -2.18 -0.09 0.00 1.25 0.00 0.00 42.46 41.04 1sjq s ILE 84 CO 0.36 -0.20 1.41 -0.31 0.24 0.00 0.00 174.94 176.45 1sjq s TYR 85 N 1.18 2.62 -0.25 1.37 2.02 0.28 -4.33 117.35 120.23 1sjq s TYR 85 Ca -0.03 1.27 0.01 0.00 -0.37 0.00 0.00 57.07 57.94 1sjq s TYR 85 Cb -0.19 -3.89 0.07 0.00 -0.40 0.00 0.00 41.96 37.55 1sjq s TYR 85 CO -0.07 -2.71 -0.02 0.42 -1.57 0.00 0.00 175.55 171.61 1sjq s ILE 86 N -1.18 1.45 0.25 2.71 1.01 -1.26 0.12 121.20 124.29 1sjq s ILE 86 Ca 0.56 -1.30 -0.14 0.00 0.00 0.00 0.00 60.65 59.78 1sjq s ILE 86 Cb -0.43 -1.81 0.00 0.00 0.01 0.00 0.00 42.46 40.23 1sjq s ILE 86 CO 0.57 -0.22 0.50 -1.58 0.00 0.00 0.00 174.94 174.21 1sjq s GLN 87 N 1.41 1.56 0.23 2.79 0.74 -0.08 -4.52 119.66 121.78 1sjq s GLN 87 Ca -0.02 -1.20 -0.30 0.00 0.05 0.00 0.00 55.36 53.90 1sjq s GLN 87 Cb -0.19 0.49 -0.09 0.00 1.10 0.00 0.00 33.01 34.33 1sjq s GLN 87 CO -0.09 -0.65 1.11 -0.06 -0.55 0.00 0.00 175.29 175.04 1sjq s PHE 88 N -4.00 3.58 -0.45 1.67 0.08 -1.26 0.26 117.98 117.86 1sjq s PHE 88 Ca 0.20 1.64 0.06 0.00 0.12 0.00 0.00 56.93 58.94 1sjq s PHE 88 Cb -0.01 -3.29 0.18 0.00 -0.57 0.00 0.00 43.02 39.33 1sjq s PHE 88 CO 0.08 -0.61 0.55 0.45 -0.10 0.00 0.00 175.22 175.59 1sjq s SER 89 N -0.46 -0.23 0.00 1.36 0.15 -1.25 -4.75 113.70 108.51 1sjq s SER 89 Ca 0.47 -2.01 0.00 0.00 0.70 0.00 0.00 55.95 55.12 1sjq s SER 89 Cb -0.31 1.03 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 1sjq s SER 89 CO 0.38 -0.13 0.00 0.59 1.20 0.00 0.00 173.24 175.28 1sjq n ASN 90 N 3.25 0.00 0.13 5.45 3.02 -1.26 -4.79 115.26 121.06 1sjq n ASN 90 Ca 0.20 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 1sjq n ASN 90 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 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 -2.33 -3.92 3.10 8.25 -1.26 -4.76 115.22 114.30 1sjq n HIS 91 Ca 0.00 0.41 -0.35 0.00 -0.26 0.00 0.00 57.72 57.52 1sjq n HIS 91 Cb 0.00 0.58 0.01 0.00 1.12 0.00 0.00 29.99 31.70 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 -3.40 -0.80 -1.34 -0.41 4.76 -1.26 -4.70 118.16 111.01 1sjq n LYS 92 Ca 0.00 0.33 -0.47 0.00 -2.87 0.00 0.00 58.31 55.31 1sjq n LYS 92 Cb 0.00 -2.17 -0.03 0.00 -1.84 0.00 0.00 35.03 30.99 1sjq n LYS 92 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1sjq n GLU 93 N -3.80 0.00 -2.95 1.97 2.13 -1.26 -4.85 120.64 111.88 1sjq n GLU 93 Ca -0.20 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.19 1sjq n GLU 93 Cb 0.59 -0.99 -0.05 0.00 0.27 0.00 0.00 31.44 31.26 1sjq n GLU 93 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1sjq s LEU 94 N 2.64 4.22 -0.37 4.31 2.01 -1.26 -5.02 118.68 125.20 1sjq s LEU 94 Ca 0.63 -0.06 -0.10 0.00 0.01 0.00 0.00 54.13 54.61 1sjq s LEU 94 Cb -0.91 -2.99 0.04 0.00 0.01 0.00 0.00 46.19 42.33 1sjq s LEU 94 CO 0.53 -0.92 0.20 -0.54 1.01 0.00 0.00 176.35 176.63 1sjq s LYS 95 N 3.33 2.76 -0.11 1.70 -0.14 -1.26 -5.07 119.74 120.94 1sjq s LYS 95 Ca 0.31 -1.15 0.01 0.00 -1.36 0.00 0.00 55.97 53.78 1sjq s LYS 95 Cb -0.12 -3.70 -0.01 0.00 -1.68 0.00 0.00 37.83 32.32 1sjq s LYS 95 CO 0.23 -0.73 -0.15 0.95 -0.76 0.00 0.00 175.35 174.89 1sjq s THR 96 N 1.51 2.88 -0.93 2.17 -4.23 -1.26 -5.05 115.64 110.73 1sjq s THR 96 Ca 0.01 -0.73 -0.24 0.00 -1.18 0.00 0.00 61.69 59.55 1sjq s THR 96 Cb -0.20 -2.18 -0.02 0.00 1.34 0.00 0.00 72.50 71.44 1sjq s THR 96 CO 0.06 0.54 1.80 -1.81 -0.54 0.00 0.00 174.62 174.66 1sjq s ASP 97 N 0.21 5.53 0.00 3.99 1.11 -1.26 -4.35 116.67 121.90 1sjq s ASP 97 Ca -0.09 -0.87 0.00 0.00 0.18 0.00 0.00 52.55 51.77 1sjq s ASP 97 Cb -0.16 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.27 1sjq s ASP 97 CO 0.06 -2.39 0.00 -1.54 1.18 0.00 0.00 175.17 172.48 1sjq n SER 98 N 12.50 0.00 -0.10 0.27 3.41 -1.26 -5.38 113.62 123.06 1sjq n SER 98 Ca 0.37 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 59.14 1sjq n SER 98 Cb 0.48 0.00 0.86 0.00 -0.26 0.00 0.00 64.21 65.29 1sjq n SER 98 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34