#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 1.63 0.01 5.00 0.00 -1.26 -5.07 107.32 107.62 1sjq s GLY 13 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 44.72 44.71 1sjq s GLY 13 CO 0.00 0.43 -0.05 -1.34 0.00 0.00 0.00 173.10 172.15 1sjq s VAL 14 N -2.96 0.33 0.13 1.40 -7.23 -1.26 -5.12 120.40 105.69 1sjq s VAL 14 Ca 0.63 -0.39 -0.35 0.00 -1.81 0.00 0.00 61.98 60.05 1sjq s VAL 14 Cb -0.17 -0.32 -0.15 0.00 0.56 0.00 0.00 36.38 36.29 1sjq s VAL 14 CO 0.56 -0.05 1.45 -2.65 -0.31 0.00 0.00 175.10 174.10 1sjq n PRO 15 N 2.59 1.63 -3.73 4.82 -0.02 -1.26 -4.99 135.00 134.05 1sjq n PRO 15 Ca -0.15 0.59 -0.13 0.00 -2.02 0.00 0.00 63.50 61.78 1sjq n PRO 15 Cb 0.58 -2.29 -0.08 0.00 -0.02 0.00 0.00 33.50 31.69 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 0.67 -0.22 0.00 2.55 1.04 -1.26 -5.03 113.70 111.44 1sjq s SER 16 Ca 0.81 0.07 0.00 0.00 0.48 0.00 0.00 55.95 57.31 1sjq s SER 16 Cb -0.82 0.35 0.00 0.00 0.10 0.00 0.00 66.02 65.65 1sjq s SER 16 CO 0.43 -0.52 0.00 -1.14 0.98 0.00 0.00 173.24 172.99 1sjq n ARG 17 N 1.02 0.00 -3.35 4.02 3.00 -1.26 -4.63 116.66 115.47 1sjq n ARG 17 Ca -0.20 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.28 1sjq n ARG 17 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.97 1sjq n ARG 17 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1sjq s VAL 18 N -2.00 4.84 -0.33 5.15 1.01 -1.26 -2.97 120.40 124.84 1sjq s VAL 18 Ca 0.00 0.91 0.02 0.00 0.00 0.00 0.00 61.98 62.91 1sjq s VAL 18 Cb 0.00 -3.77 0.09 0.00 0.00 0.00 0.00 36.38 32.70 1sjq s VAL 18 CO 0.00 0.33 0.04 -0.63 0.00 0.00 0.00 175.10 174.84 1sjq s ILE 19 N -1.37 2.48 0.34 2.22 -1.09 -0.94 -3.19 121.20 119.66 1sjq s ILE 19 Ca 0.35 -2.06 -0.25 0.00 -2.23 0.00 0.00 60.65 56.45 1sjq s ILE 19 Cb -0.16 -2.70 -0.10 0.00 -1.58 0.00 0.00 42.46 37.93 1sjq s ILE 19 CO 0.19 -0.45 0.97 -2.28 -1.23 0.00 0.00 174.94 172.14 1sjq s HIS 20 N 1.01 3.59 -0.01 3.97 2.46 0.90 -2.78 115.29 124.43 1sjq s HIS 20 Ca 0.05 1.74 0.03 0.00 0.47 0.00 0.00 55.06 57.35 1sjq s HIS 20 Cb -0.20 -2.96 -0.00 0.00 -0.13 0.00 0.00 32.58 29.29 1sjq s HIS 20 CO -0.06 0.02 -0.09 0.42 -2.47 0.00 0.00 174.74 172.56 1sjq s ILE 21 N -1.65 0.71 0.38 0.89 1.01 -0.68 0.03 121.20 121.88 1sjq s ILE 21 Ca 0.52 -0.36 0.05 0.00 0.00 0.00 0.00 60.65 60.86 1sjq s ILE 21 Cb -0.19 -0.61 -0.07 0.00 0.01 0.00 0.00 42.46 41.60 1sjq s ILE 21 CO 0.24 0.21 0.03 0.00 0.00 0.00 0.00 174.94 175.42 1sjq s ARG 22 N -0.08 1.84 -1.52 2.79 1.70 -0.05 -2.66 118.95 120.98 1sjq s ARG 22 Ca 0.01 -2.04 -0.13 0.00 -0.47 0.00 0.00 55.73 53.10 1sjq s ARG 22 Cb -0.05 -1.31 0.09 0.00 -0.57 0.00 0.00 34.95 33.11 1sjq s ARG 22 CO -0.00 -0.12 0.86 1.17 -1.08 0.00 0.00 175.30 176.13 1sjq n LYS 23 N -0.86 -4.86 -4.00 3.89 3.00 -1.25 -1.19 118.16 112.88 1sjq n LYS 23 Ca -0.04 0.57 -0.30 0.00 -0.00 0.00 0.00 58.31 58.54 1sjq n LYS 23 Cb 0.67 -5.41 -0.17 0.00 0.00 0.00 0.00 35.03 30.12 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 -7.12 1.63 -1.09 3.14 2.96 -1.26 -3.85 118.68 113.08 1sjq s LEU 24 Ca 0.62 -0.47 -0.27 0.00 -0.22 0.00 0.00 54.13 53.79 1sjq s LEU 24 Cb -0.31 -1.13 -0.23 0.00 0.50 0.00 0.00 46.19 45.01 1sjq s LEU 24 CO 0.76 -0.07 2.11 -2.16 -1.32 0.00 0.00 176.35 175.68 1sjq s PRO 25 N 1.52 1.14 0.45 0.98 0.04 -1.26 -4.31 135.00 133.55 1sjq s PRO 25 Ca 0.05 -0.45 -0.11 0.00 0.04 0.00 0.00 61.00 60.54 1sjq s PRO 25 Cb -0.13 -4.98 -0.09 0.00 0.04 0.00 0.00 34.50 29.34 1sjq s PRO 25 CO -0.10 -5.57 -0.27 -0.89 0.04 0.00 0.00 177.00 170.21 1sjq n ILE 26 N 9.07 0.00 -0.99 0.56 -0.00 -1.26 -2.11 119.36 124.64 1sjq n ILE 26 Ca 0.41 -0.30 0.00 0.00 -0.00 0.00 0.00 62.75 62.86 1sjq n ILE 26 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.11 1sjq n ILE 26 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1sjq n ASP 27 N 1.80 -0.74 -3.21 4.38 2.03 -1.26 -5.01 116.55 114.54 1sjq n ASP 27 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1sjq n ASP 27 Cb 0.31 -0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 1sjq n ASP 27 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1sjq n VAL 28 N -2.23 0.00 -4.11 5.18 3.14 -0.90 -4.97 118.33 114.45 1sjq n VAL 28 Ca 0.00 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.05 1sjq n VAL 28 Cb 0.00 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 32.71 1sjq n VAL 28 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1sjq s THR 29 N -0.41 4.75 0.12 1.55 -4.23 -1.26 -5.01 115.64 111.15 1sjq s THR 29 Ca 0.00 -0.36 -0.18 0.00 -1.18 0.00 0.00 61.69 59.97 1sjq s THR 29 Cb 0.00 -3.15 -0.04 0.00 1.34 0.00 0.00 72.50 70.64 1sjq s THR 29 CO 0.00 0.38 1.71 -0.33 -0.54 0.00 0.00 174.62 175.84 1sjq h GLU 30 N 4.22 0.42 -1.82 3.99 3.07 -1.99 -2.31 114.58 120.16 1sjq h GLU 30 Ca -0.50 -0.06 0.53 0.00 -0.50 0.00 0.00 59.36 58.84 1sjq h GLU 30 Cb 1.19 -0.08 -0.07 0.00 -0.84 0.00 0.00 28.75 28.94 1sjq h GLU 30 CO 0.62 0.38 1.37 0.41 -1.40 0.00 0.00 179.01 180.38 1sjq n GLY 31 N -0.90 -0.94 0.05 -3.84 0.00 -1.26 0.80 105.19 99.11 1sjq n GLY 31 Ca -0.02 0.64 -0.01 0.00 0.00 0.00 0.00 46.02 46.63 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 0.00 0.47 1.61 4.57 -1.84 -2.75 114.58 116.64 1sjq h GLU 32 Ca 0.87 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 59.04 1sjq h GLU 32 Cb 3.59 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 32.16 1sjq h GLU 32 CO -0.01 0.00 -0.46 0.28 -1.18 0.00 0.00 179.01 177.64 1sjq h VAL 33 N -0.90 0.09 -0.14 0.32 2.07 -0.56 -2.78 116.25 114.35 1sjq h VAL 33 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1sjq h VAL 33 Cb 0.15 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 29.95 1sjq h VAL 33 CO 0.00 0.00 -0.22 0.40 0.02 0.00 0.00 177.57 177.77 1sjq h ILE 34 N -0.94 0.46 -0.96 4.57 2.04 0.18 -2.27 117.51 120.59 1sjq h ILE 34 Ca -0.05 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.00 1sjq h ILE 34 Cb 0.82 0.46 -0.18 0.00 -0.74 0.00 0.00 36.82 37.18 1sjq h ILE 34 CO -0.06 0.00 -0.25 -1.20 0.00 0.00 0.00 178.15 176.64 1sjq n SER 35 N -5.35 -0.36 0.11 1.72 7.64 -1.04 0.25 113.62 116.59 1sjq n SER 35 Ca -0.03 1.66 0.05 0.00 1.01 0.00 0.00 58.87 61.56 1sjq n SER 35 Cb 0.27 -0.50 0.48 0.00 -1.01 0.00 0.00 64.21 63.45 1sjq n SER 35 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1sjq h LEU 36 N 0.00 0.27 0.00 -3.43 4.07 -1.14 -2.05 115.31 113.03 1sjq h LEU 36 Ca 0.46 -0.02 -0.14 0.00 0.08 0.00 0.00 57.88 58.26 1sjq h LEU 36 Cb 0.70 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.35 1sjq h LEU 36 CO -0.99 0.25 -0.83 1.23 -1.08 0.00 0.00 178.44 177.03 1sjq h GLY 37 N 0.44 0.00 -0.90 0.83 0.00 0.36 -3.35 103.07 100.45 1sjq h GLY 37 Ca 0.08 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.49 1sjq h GLY 37 CO -0.01 0.00 -0.53 1.04 0.00 0.00 0.00 176.54 177.04 1sjq n LEU 38 N -3.14 -0.95 0.26 3.11 7.99 0.22 0.14 117.00 124.63 1sjq n LEU 38 Ca -0.02 1.66 0.14 0.00 -0.01 0.00 0.00 56.01 57.78 1sjq n LEU 38 Cb 0.79 -0.24 0.68 0.00 -0.11 0.00 0.00 43.42 44.54 1sjq n LEU 38 CO 0.42 -1.33 0.95 1.55 -1.51 0.00 0.00 177.39 177.46 1sjq h PRO 39 N 0.00 0.00 0.00 3.23 0.13 -1.73 -2.02 132.00 131.61 1sjq h PRO 39 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1sjq h PRO 39 Cb 0.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.50 1sjq h PRO 39 CO -0.84 0.11 0.00 1.19 -0.23 0.00 0.00 178.00 178.23 1sjq n PHE 40 N -3.37 0.00 0.00 1.56 3.72 0.36 -4.97 117.46 114.75 1sjq n PHE 40 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1sjq n PHE 40 Cb 0.30 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.52 1sjq n PHE 40 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sjq n GLY 41 N 0.84 0.96 3.26 1.37 0.00 -0.03 -3.97 105.19 107.62 1sjq n GLY 41 Ca 0.11 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 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 0.42 -0.90 1.61 -0.14 -1.26 -4.68 119.74 114.79 1sjq s LYS 42 Ca 0.00 0.56 -0.17 0.00 -1.36 0.00 0.00 55.97 54.99 1sjq s LYS 42 Cb 0.00 0.17 0.16 0.00 -1.68 0.00 0.00 37.83 36.47 1sjq s LYS 42 CO 0.00 -0.07 1.03 0.08 -0.76 0.00 0.00 175.35 175.62 1sjq s VAL 43 N 0.41 4.99 -2.00 3.17 1.01 -1.26 -2.09 120.40 124.62 1sjq s VAL 43 Ca -0.02 -1.84 0.19 0.00 0.00 0.00 0.00 61.98 60.31 1sjq s VAL 43 Cb -0.04 -4.69 0.55 0.00 0.00 0.00 0.00 36.38 32.20 1sjq s VAL 43 CO -0.02 -1.37 1.58 0.35 0.00 0.00 0.00 175.10 175.65 1sjq n THR 44 N 5.05 0.00 0.00 3.92 -2.24 -1.05 -4.85 114.28 115.11 1sjq n THR 44 Ca 0.21 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1sjq n THR 44 Cb 0.48 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 -0.91 0.00 -3.30 3.42 4.13 -1.04 -4.90 115.26 112.67 1sjq n ASN 45 Ca 0.14 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.32 1sjq n ASN 45 Cb 0.07 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.25 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 -0.81 -0.51 3.41 2.96 -1.26 -1.92 118.68 120.54 1sjq s LEU 46 Ca 0.00 -0.20 -0.18 0.00 -0.22 0.00 0.00 54.13 53.52 1sjq s LEU 46 Cb 0.00 1.18 0.07 0.00 0.50 0.00 0.00 46.19 47.94 1sjq s LEU 46 CO 0.00 -0.34 0.59 -0.22 -1.32 0.00 0.00 176.35 175.06 1sjq s LEU 47 N 2.57 5.19 -0.51 -0.68 0.20 0.74 -4.96 118.68 121.23 1sjq s LEU 47 Ca 0.11 -1.09 -0.28 0.00 0.69 0.00 0.00 54.13 53.55 1sjq s LEU 47 Cb -0.13 -2.37 0.02 0.00 -0.43 0.00 0.00 46.19 43.29 1sjq s LEU 47 CO -0.27 -0.87 1.27 -0.04 -0.29 0.00 0.00 176.35 176.14 1sjq s MET 48 N 2.41 3.55 -0.62 1.98 -1.94 -1.26 -0.85 119.30 122.56 1sjq s MET 48 Ca 0.12 0.53 -0.22 0.00 -1.71 0.00 0.00 55.69 54.41 1sjq s MET 48 Cb -0.21 -4.01 0.07 0.00 2.01 0.00 0.00 34.83 32.69 1sjq s MET 48 CO 0.10 -1.62 0.91 -1.17 -0.01 0.00 0.00 175.02 173.22 1sjq s LEU 49 N 5.13 4.48 0.00 -0.03 1.98 -0.70 -4.84 118.68 124.70 1sjq s LEU 49 Ca 0.50 -0.90 0.00 0.00 -2.89 0.00 0.00 54.13 50.84 1sjq s LEU 49 Cb -0.09 -2.49 0.00 0.00 0.66 0.00 0.00 46.19 44.27 1sjq s LEU 49 CO 0.29 -1.32 0.00 0.29 -1.89 0.00 0.00 176.35 173.72 1sjq n LYS 50 N 7.40 -0.32 0.00 1.98 4.01 -1.26 -2.94 118.16 127.03 1sjq n LYS 50 Ca -0.04 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.76 1sjq n LYS 50 Cb 0.45 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.97 1sjq n LYS 50 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1sjq n GLY 51 N 3.57 1.18 0.00 0.72 0.00 -1.26 -4.50 105.19 104.91 1sjq n GLY 51 Ca 0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 46.02 45.39 1sjq n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sjq h LYS 52 N 0.00 -0.01 0.00 1.61 1.79 -2.00 -3.49 116.57 114.47 1sjq h LYS 52 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1sjq h LYS 52 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1sjq h LYS 52 CO 0.00 -0.00 0.00 0.09 -1.08 0.00 0.00 179.45 178.46 1sjq n ASN 53 N -2.04 0.00 -3.52 0.86 5.03 -1.26 -4.94 115.26 109.38 1sjq n ASN 53 Ca -0.00 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.34 1sjq n ASN 53 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.74 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 0.00 1.35 0.17 3.52 -0.21 -1.15 -3.91 119.66 119.43 1sjq s GLN 54 Ca 0.00 -0.59 -0.13 0.00 0.02 0.00 0.00 55.36 54.66 1sjq s GLN 54 Cb 0.00 0.58 0.01 0.00 1.00 0.00 0.00 33.01 34.60 1sjq s GLN 54 CO 0.00 -0.59 0.38 0.00 -2.12 0.00 0.00 175.29 172.96 1sjq s ALA 55 N -3.79 -0.49 -0.13 6.09 0.00 -1.09 -1.72 121.76 120.63 1sjq s ALA 55 Ca 0.03 -0.51 -0.04 0.00 0.00 0.00 0.00 51.96 51.45 1sjq s ALA 55 Cb -0.02 0.81 0.06 0.00 0.00 0.00 0.00 23.12 23.97 1sjq s ALA 55 CO -0.09 -0.70 0.16 -0.06 0.00 0.00 0.00 175.76 175.07 1sjq s PHE 56 N -3.90 -0.12 -0.15 0.00 0.40 -0.03 -1.69 117.98 112.49 1sjq s PHE 56 Ca 0.11 0.33 -0.05 0.00 -0.60 0.00 0.00 56.93 56.72 1sjq s PHE 56 Cb 0.02 -0.38 -0.04 0.00 0.51 0.00 0.00 43.02 43.13 1sjq s PHE 56 CO -0.03 -0.39 0.04 0.96 0.70 0.00 0.00 175.22 176.49 1sjq s ILE 57 N 2.27 4.57 -0.56 0.64 -4.36 -1.12 -0.19 121.20 122.45 1sjq s ILE 57 Ca 0.04 -0.13 -0.19 0.00 -0.26 0.00 0.00 60.65 60.11 1sjq s ILE 57 Cb -0.14 -3.01 0.08 0.00 1.25 0.00 0.00 42.46 40.64 1sjq s ILE 57 CO -0.08 0.51 0.70 -1.61 0.24 0.00 0.00 174.94 174.71 1sjq s GLU 58 N -0.03 3.09 0.78 0.37 0.41 -0.81 -2.22 118.70 120.30 1sjq s GLU 58 Ca 0.05 -1.05 -0.13 0.00 -0.41 0.00 0.00 54.97 53.43 1sjq s GLU 58 Cb -0.12 -4.18 0.07 0.00 -1.78 0.00 0.00 34.13 28.11 1sjq s GLU 58 CO 0.01 -1.42 1.15 -1.64 -0.49 0.00 0.00 175.26 172.87 1sjq s MET 59 N 2.82 1.93 0.16 1.61 -1.94 -1.16 -2.50 119.30 120.22 1sjq s MET 59 Ca 0.15 1.52 -0.09 0.00 -1.71 0.00 0.00 55.69 55.56 1sjq s MET 59 Cb -0.21 -1.83 0.02 0.00 2.01 0.00 0.00 34.83 34.82 1sjq s MET 59 CO 0.09 -1.95 1.54 -0.91 -0.01 0.00 0.00 175.02 173.78 1sjq h ASN 60 N -0.89 0.97 -4.25 3.03 2.35 -1.78 -3.43 115.58 111.59 1sjq h ASN 60 Ca -0.45 -0.40 -0.37 0.00 -0.55 0.00 0.00 56.30 54.53 1sjq h ASN 60 Cb 1.27 -0.27 -0.14 0.00 0.05 0.00 0.00 38.32 39.22 1sjq h ASN 60 CO 0.48 1.18 -0.61 0.28 -1.65 0.00 0.00 177.43 177.11 1sjq s THR 61 N -4.54 0.69 0.16 2.81 -1.32 -1.26 -5.03 115.64 107.14 1sjq s THR 61 Ca -0.11 -2.00 -0.04 0.00 -1.21 0.00 0.00 61.69 58.33 1sjq s THR 61 Cb 0.12 -2.65 -0.11 0.00 -1.51 0.00 0.00 72.50 68.34 1sjq s THR 61 CO 0.87 -0.01 1.41 -0.33 -2.21 0.00 0.00 174.62 174.34 1sjq h GLU 62 N 2.34 0.50 -0.94 7.08 3.07 -1.89 -2.99 114.58 121.75 1sjq h GLU 62 Ca -0.39 -0.40 -0.01 0.00 -0.50 0.00 0.00 59.36 58.06 1sjq h GLU 62 Cb 1.25 0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 29.19 1sjq h GLU 62 CO 0.63 1.03 0.57 1.49 -1.40 0.00 0.00 179.01 181.33 1sjq h GLU 63 N 0.35 1.28 -0.07 2.33 4.22 -1.95 -2.55 114.58 118.20 1sjq h GLU 63 Ca -0.03 -0.12 -0.01 0.00 0.08 0.00 0.00 59.36 59.28 1sjq h GLU 63 Cb 1.31 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1sjq h GLU 63 CO 0.13 0.90 0.02 0.00 -2.18 0.00 0.00 179.01 177.88 1sjq h ALA 64 N 1.31 0.09 -0.31 2.92 0.00 -1.68 -3.10 119.26 118.50 1sjq h ALA 64 Ca 0.34 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.19 1sjq h ALA 64 Cb -0.05 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 1sjq h ALA 64 CO -0.06 -0.29 -0.25 0.00 0.00 0.00 0.00 179.25 178.64 1sjq h ALA 65 N 0.81 -0.10 -0.22 0.00 0.00 -1.35 -2.72 119.26 115.67 1sjq h ALA 65 Ca 0.02 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1sjq h ALA 65 Cb 0.24 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1sjq h ALA 65 CO 0.00 -0.66 -0.36 -0.91 0.00 0.00 0.00 179.25 177.32 1sjq h ASN 66 N -0.23 -1.19 -0.97 0.00 2.35 -1.44 -1.06 115.58 113.04 1sjq h ASN 66 Ca 0.16 0.15 0.26 0.00 -0.55 0.00 0.00 56.30 56.32 1sjq h ASN 66 Cb 0.48 0.48 -0.18 0.00 0.05 0.00 0.00 38.32 39.15 1sjq h ASN 66 CO -0.44 -0.28 0.02 0.74 -1.65 0.00 0.00 177.43 175.82 1sjq h THR 67 N -0.29 0.05 -0.16 2.81 2.02 -1.42 0.53 112.91 116.46 1sjq h THR 67 Ca 0.04 -0.01 0.02 0.00 0.77 0.00 0.00 66.41 67.24 1sjq h THR 67 Cb 0.40 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 1sjq h THR 67 CO -0.36 0.00 -0.28 -0.03 0.37 0.00 0.00 175.52 175.22 1sjq h MET 68 N 0.02 -0.22 0.20 6.66 1.85 -0.90 0.21 114.93 122.75 1sjq h MET 68 Ca 0.58 0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.67 1sjq h MET 68 Cb 1.16 0.05 0.00 0.00 0.43 0.00 0.00 31.60 33.25 1sjq h MET 68 CO -0.90 -0.15 -0.10 0.28 -0.40 0.00 0.00 176.91 175.64 1sjq h VAL 69 N -0.23 0.83 -0.56 -5.77 2.07 -1.09 -2.66 116.25 108.83 1sjq h VAL 69 Ca 0.03 -0.95 0.05 0.00 0.82 0.00 0.00 66.70 66.65 1sjq h VAL 69 Cb 0.31 1.32 -0.07 0.00 -1.52 0.00 0.00 31.29 31.33 1sjq h VAL 69 CO -0.27 0.19 -0.33 -3.20 0.02 0.00 0.00 177.57 173.97 1sjq n ASN 70 N -4.99 -0.59 0.15 0.57 2.85 0.17 0.11 115.26 113.53 1sjq n ASN 70 Ca -0.08 1.37 0.09 0.00 -0.11 0.00 0.00 54.58 55.85 1sjq n ASN 70 Cb 0.26 -0.32 0.59 0.00 1.24 0.00 0.00 39.78 41.55 1sjq n ASN 70 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1sjq h TYR 71 N 0.00 0.15 -0.27 1.20 3.20 -1.07 0.16 116.97 120.34 1sjq h TYR 71 Ca 0.09 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 1sjq h TYR 71 Cb 0.23 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.45 1sjq h TYR 71 CO -0.93 0.09 0.00 0.66 -1.64 0.00 0.00 178.16 176.34 1sjq n TYR 72 N -4.50 0.98 0.19 -3.82 4.01 0.30 -3.78 117.16 110.53 1sjq n TYR 72 Ca 0.01 -0.35 0.08 0.00 -0.16 0.00 0.00 57.90 57.48 1sjq n TYR 72 Cb 0.16 -0.30 0.16 0.00 -0.31 0.00 0.00 39.34 39.05 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 1.84 0.44 0.00 -0.72 2.02 0.15 -3.39 112.91 113.25 1sjq h THR 73 Ca 0.00 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.66 1sjq h THR 73 Cb 1.20 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 69.75 1sjq h THR 73 CO 0.23 0.24 -0.78 -1.20 0.37 0.00 0.00 175.52 174.38 1sjq n SER 74 N -3.19 2.80 -4.72 4.18 7.64 -1.25 -5.03 113.62 114.04 1sjq n SER 74 Ca 0.03 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.52 1sjq n SER 74 Cb 0.60 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.74 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 -1.81 5.13 0.14 0.44 1.01 -1.25 -5.07 120.40 119.00 1sjq s VAL 75 Ca 0.00 1.13 -0.12 0.00 0.00 0.00 0.00 61.98 62.99 1sjq s VAL 75 Cb 0.00 -3.90 -0.07 0.00 0.00 0.00 0.00 36.38 32.42 1sjq s VAL 75 CO 0.00 0.30 0.50 -0.89 0.00 0.00 0.00 175.10 175.01 1sjq s THR 76 N 0.66 4.96 -0.06 3.92 2.01 -1.26 -4.37 115.64 121.49 1sjq s THR 76 Ca 0.30 0.61 -0.12 0.00 0.31 0.00 0.00 61.69 62.79 1sjq s THR 76 Cb -0.16 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 1sjq s THR 76 CO 0.13 0.19 0.30 -2.16 -0.69 0.00 0.00 174.62 172.39 1sjq s PRO 77 N -2.13 3.81 0.16 4.92 0.04 -1.26 -5.02 135.00 135.52 1sjq s PRO 77 Ca 0.38 0.18 0.08 0.00 0.04 0.00 0.00 61.00 61.69 1sjq s PRO 77 Cb -0.14 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 1sjq s PRO 77 CO 0.19 0.65 -0.19 0.08 0.04 0.00 0.00 177.00 177.78 1sjq s VAL 78 N -0.83 1.81 -0.40 -0.36 1.01 -1.26 -0.07 120.40 120.30 1sjq s VAL 78 Ca 0.20 -1.87 -0.02 0.00 0.00 0.00 0.00 61.98 60.29 1sjq s VAL 78 Cb -0.15 -1.81 0.11 0.00 0.00 0.00 0.00 36.38 34.54 1sjq s VAL 78 CO 0.09 -0.28 0.18 -0.22 0.00 0.00 0.00 175.10 174.87 1sjq s LEU 79 N -2.56 5.18 0.00 3.92 1.98 -0.58 -4.86 118.68 121.76 1sjq s LEU 79 Ca 0.14 -2.06 0.00 0.00 -2.89 0.00 0.00 54.13 49.32 1sjq s LEU 79 Cb -0.06 -1.80 0.00 0.00 0.66 0.00 0.00 46.19 44.99 1sjq s LEU 79 CO 0.06 -0.52 0.00 -1.14 -1.89 0.00 0.00 176.35 172.87 1sjq n ARG 80 N 4.53 0.00 -0.70 1.98 3.00 -1.26 -0.72 116.66 123.49 1sjq n ARG 80 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.81 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 0.80 2.79 5.14 0.00 -1.26 -5.07 105.19 107.60 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 1.62 0.00 0.00 0.00 173.32 174.94 1sjq s GLN 82 N 0.00 1.01 -0.41 1.61 2.00 0.10 -5.08 119.66 118.88 1sjq s GLN 82 Ca 0.00 -1.46 -0.30 0.00 -2.00 0.00 0.00 55.36 51.61 1sjq s GLN 82 Cb 0.00 -2.34 -0.09 0.00 0.80 0.00 0.00 33.01 31.39 1sjq s GLN 82 CO -0.00 -1.02 2.32 -2.30 -0.50 0.00 0.00 175.29 173.79 1sjq n PRO 83 N 4.43 1.22 -3.66 1.67 -0.02 -1.26 -1.52 135.00 135.86 1sjq n PRO 83 Ca 0.01 0.24 -0.39 0.00 -2.02 0.00 0.00 63.50 61.34 1sjq n PRO 83 Cb 0.40 -2.90 -0.11 0.00 -0.02 0.00 0.00 33.50 30.87 1sjq n PRO 83 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1sjq s ILE 84 N 9.30 4.14 0.40 4.25 -4.36 0.90 -4.74 121.20 131.08 1sjq s ILE 84 Ca 1.06 -1.20 -0.26 0.00 -0.26 0.00 0.00 60.65 59.99 1sjq s ILE 84 Cb -0.53 -3.42 -0.09 0.00 1.25 0.00 0.00 42.46 39.66 1sjq s ILE 84 CO 0.38 -0.34 1.32 -0.31 0.24 0.00 0.00 174.94 176.24 1sjq s TYR 85 N 1.44 2.80 -0.05 1.37 2.02 -0.34 -4.03 117.35 120.56 1sjq s TYR 85 Ca 0.01 1.38 0.04 0.00 -0.37 0.00 0.00 57.07 58.14 1sjq s TYR 85 Cb -0.21 -3.71 -0.00 0.00 -0.40 0.00 0.00 41.96 37.64 1sjq s TYR 85 CO 0.03 -2.19 -0.17 0.42 -1.57 0.00 0.00 175.55 172.08 1sjq s ILE 86 N -1.23 1.41 0.27 2.71 1.01 -1.26 -0.87 121.20 123.24 1sjq s ILE 86 Ca 0.56 -0.69 -0.09 0.00 0.00 0.00 0.00 60.65 60.42 1sjq s ILE 86 Cb -0.39 -1.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.85 1sjq s ILE 86 CO 0.51 0.41 0.44 0.00 0.00 0.00 0.00 174.94 176.30 1sjq s GLN 87 N 0.15 1.61 0.50 2.79 -2.07 0.10 -4.89 119.66 117.85 1sjq s GLN 87 Ca -0.06 -1.42 -0.08 0.00 -1.82 0.00 0.00 55.36 51.98 1sjq s GLN 87 Cb -0.12 0.45 0.13 0.00 -1.09 0.00 0.00 33.01 32.37 1sjq s GLN 87 CO 0.03 -0.66 0.37 1.19 -1.32 0.00 0.00 175.29 174.90 1sjq n PHE 88 N -0.41 -3.04 -3.84 9.60 3.72 -1.26 -0.07 117.46 122.16 1sjq n PHE 88 Ca -0.01 -0.34 -0.12 0.00 -0.05 0.00 0.00 57.45 56.93 1sjq n PHE 88 Cb 0.62 -0.44 -0.13 0.00 -0.94 0.00 0.00 39.48 38.59 1sjq n PHE 88 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1sjq s SER 89 N -2.52 -0.09 0.12 4.37 0.15 -1.19 -2.84 113.70 111.70 1sjq s SER 89 Ca 0.26 0.17 -0.23 0.00 0.70 0.00 0.00 55.95 56.85 1sjq s SER 89 Cb -0.03 0.17 -0.05 0.00 -1.71 0.00 0.00 66.02 64.40 1sjq s SER 89 CO 0.21 -0.03 1.22 -3.20 1.20 0.00 0.00 173.24 172.63 1sjq n ASN 90 N 3.05 -0.79 0.00 5.45 4.05 -1.26 -4.67 115.26 121.09 1sjq n ASN 90 Ca -0.12 1.39 0.00 0.00 0.45 0.00 0.00 54.58 56.30 1sjq n ASN 90 Cb 0.59 -0.21 0.00 0.00 1.23 0.00 0.00 39.78 41.39 1sjq n ASN 90 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1sjq n HIS 91 N -4.82 0.00 -2.46 1.20 1.44 -1.26 -5.06 115.22 104.25 1sjq n HIS 91 Ca 0.01 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.30 1sjq n HIS 91 Cb 0.19 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.31 1sjq n HIS 91 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1sjq n LYS 92 N 0.00 3.46 -2.04 -1.40 4.76 -1.26 -4.99 118.16 116.68 1sjq n LYS 92 Ca 0.00 -3.52 -0.41 0.00 -2.87 0.00 0.00 58.31 51.51 1sjq n LYS 92 Cb 0.00 -3.02 -0.02 0.00 -1.84 0.00 0.00 35.03 30.15 1sjq n LYS 92 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1sjq s GLU 93 N 1.19 4.29 0.05 1.97 2.12 -1.26 -4.94 118.70 122.12 1sjq s GLU 93 Ca 0.42 2.30 -0.04 0.00 0.36 0.00 0.00 54.97 58.01 1sjq s GLU 93 Cb 0.06 -3.07 -0.05 0.00 0.26 0.00 0.00 34.13 31.34 1sjq s GLU 93 CO -0.00 -0.31 0.26 -0.51 -0.54 0.00 0.00 175.26 174.17 1sjq s LEU 94 N -1.45 4.34 0.18 2.70 1.02 -1.26 -5.09 118.68 119.11 1sjq s LEU 94 Ca 0.52 0.45 -0.16 0.00 0.02 0.00 0.00 54.13 54.96 1sjq s LEU 94 Cb -0.41 -2.90 -0.07 0.00 0.02 0.00 0.00 46.19 42.82 1sjq s LEU 94 CO 0.52 0.18 0.62 -0.54 0.02 0.00 0.00 176.35 177.15 1sjq s LYS 95 N -2.21 4.07 -0.15 1.70 3.01 -1.26 -5.04 119.74 119.85 1sjq s LYS 95 Ca 0.33 0.63 -0.28 0.00 -1.01 0.00 0.00 55.97 55.63 1sjq s LYS 95 Cb -0.13 -2.89 -0.01 0.00 -1.01 0.00 0.00 37.83 33.79 1sjq s LYS 95 CO 0.22 0.44 0.96 0.99 0.51 0.00 0.00 175.35 178.47 1sjq s THR 96 N -1.50 4.79 0.04 2.17 2.01 -1.26 -4.64 115.64 117.24 1sjq s THR 96 Ca 0.40 1.92 0.00 0.00 0.31 0.00 0.00 61.69 64.32 1sjq s THR 96 Cb -0.15 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.10 1sjq s THR 96 CO 0.20 -0.03 0.00 -0.67 -0.69 0.00 0.00 174.62 173.42 1sjq n ASP 97 N 5.39 -8.28 -4.44 3.53 2.03 -1.26 -4.92 116.55 108.59 1sjq n ASP 97 Ca 0.08 1.71 -0.42 0.00 0.52 0.00 0.00 54.79 56.68 1sjq n ASP 97 Cb 0.48 -4.75 -0.11 0.00 -0.72 0.00 0.00 41.12 36.03 1sjq n ASP 97 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1sjq s SER 98 N -0.51 5.95 0.00 1.67 1.04 -1.26 -5.29 113.70 115.30 1sjq s SER 98 Ca 0.00 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.60 1sjq s SER 98 Cb 0.00 -2.11 0.00 0.00 0.10 0.00 0.00 66.02 64.01 1sjq s SER 98 CO 0.00 -0.38 0.00 -0.24 0.98 0.00 0.00 173.24 173.60