#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1joq n THR 2 N 0.00 0.00 -2.90 0.00 -2.24 -1.26 -2.55 114.28 105.33 1joq n THR 2 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1joq n THR 2 Cb 0.00 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.24 1joq n THR 2 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1joq n SER 3 N 3.19 -1.93 -2.33 3.42 3.41 -1.26 -4.96 113.62 113.16 1joq n SER 3 Ca 0.00 -3.08 -0.02 0.00 -0.26 0.00 0.00 58.87 55.51 1joq n SER 3 Cb 0.00 1.02 0.09 0.00 -0.26 0.00 0.00 64.21 65.06 1joq n SER 3 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1joq n THR 4 N 1.66 0.00 -3.66 6.66 5.66 -1.06 -5.14 114.28 118.40 1joq n THR 4 Ca 0.14 -0.72 -0.31 0.00 -3.05 0.00 0.00 64.05 60.11 1joq n THR 4 Cb 0.59 0.84 -0.04 0.00 -1.55 0.00 0.00 70.33 70.17 1joq n THR 4 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1joq s LYS 5 N 0.09 3.61 1.25 1.09 0.00 -1.26 -4.64 119.74 119.89 1joq s LYS 5 Ca 0.07 -0.11 -0.15 0.00 0.00 0.00 0.00 55.97 55.78 1joq s LYS 5 Cb 0.31 -2.84 0.32 0.00 0.00 0.00 0.00 37.83 35.62 1joq s LYS 5 CO -0.09 0.45 0.99 0.21 0.00 0.00 0.00 175.35 176.92 1joq s LYS 6 N -2.75 -1.62 0.00 1.78 2.20 -1.26 -5.01 119.74 113.08 1joq s LYS 6 Ca 0.41 0.67 0.00 0.00 -0.36 0.00 0.00 55.97 56.69 1joq s LYS 6 Cb -0.12 -1.49 0.00 0.00 -1.51 0.00 0.00 37.83 34.72 1joq s LYS 6 CO 0.25 -4.14 0.00 1.28 -0.36 0.00 0.00 175.35 172.38 1joq n LEU 7 N -5.19 0.00 -3.89 5.43 4.77 -1.26 -5.09 117.00 111.76 1joq n LEU 7 Ca 0.04 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.92 1joq n LEU 7 Cb 0.55 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.54 1joq n LEU 7 CO 0.55 -0.53 -0.21 -2.28 -1.33 0.00 0.00 177.39 173.59 1joq s HIS 8 N -0.68 0.08 -0.15 -1.77 2.46 -1.26 -5.14 115.29 108.83 1joq s HIS 8 Ca 0.00 -0.21 -0.01 0.00 0.47 0.00 0.00 55.06 55.31 1joq s HIS 8 Cb 0.00 -0.08 -0.01 0.00 -0.13 0.00 0.00 32.58 32.36 1joq s HIS 8 CO 0.00 -0.27 -0.12 0.15 -2.47 0.00 0.00 174.74 172.03 1joq s LYS 9 N -1.43 3.34 0.29 2.88 -0.14 -1.26 -4.26 119.74 119.17 1joq s LYS 9 Ca -0.15 -0.69 0.06 0.00 -1.36 0.00 0.00 55.97 53.83 1joq s LYS 9 Cb -0.08 -2.69 -0.06 0.00 -1.68 0.00 0.00 37.83 33.32 1joq s LYS 9 CO 0.01 0.10 -0.04 -1.21 -0.76 0.00 0.00 175.35 173.45 1joq s GLU 10 N 0.65 1.58 0.69 1.68 0.41 -0.93 -4.97 118.70 117.80 1joq s GLU 10 Ca -0.07 -1.81 -0.07 0.00 -0.41 0.00 0.00 54.97 52.62 1joq s GLU 10 Cb -0.15 -1.12 0.05 0.00 -1.78 0.00 0.00 34.13 31.13 1joq s GLU 10 CO 0.02 -0.00 1.00 -1.25 -0.49 0.00 0.00 175.26 174.54 1joq s PRO 11 N -3.75 2.32 0.37 0.39 0.04 -1.26 0.14 135.00 133.25 1joq s PRO 11 Ca 0.31 -0.20 -0.05 0.00 0.04 0.00 0.00 61.00 61.09 1joq s PRO 11 Cb 0.05 -2.18 0.02 0.00 0.04 0.00 0.00 34.50 32.42 1joq s PRO 11 CO 0.13 -1.15 0.57 0.00 0.04 0.00 0.00 177.00 176.59 1joq s ALA 12 N -3.21 0.44 -0.10 8.56 0.00 0.11 -4.54 121.76 123.02 1joq s ALA 12 Ca 0.59 -1.36 0.01 0.00 0.00 0.00 0.00 51.96 51.20 1joq s ALA 12 Cb -0.11 1.02 0.02 0.00 0.00 0.00 0.00 23.12 24.05 1joq s ALA 12 CO 0.45 -0.84 -0.13 0.99 0.00 0.00 0.00 175.76 176.23 1joq s THR 13 N -2.71 1.31 -0.25 0.00 2.01 -0.77 -4.68 115.64 110.54 1joq s THR 13 Ca 0.27 -0.52 -0.29 0.00 0.31 0.00 0.00 61.69 61.46 1joq s THR 13 Cb -0.02 -1.23 -0.00 0.00 0.01 0.00 0.00 72.50 71.26 1joq s THR 13 CO 0.19 0.41 1.25 -0.22 -0.69 0.00 0.00 174.62 175.55 1joq s LEU 14 N 1.12 4.00 -0.24 4.42 1.98 -1.26 -0.02 118.68 128.68 1joq s LEU 14 Ca -0.05 1.37 -0.10 0.00 -2.89 0.00 0.00 54.13 52.46 1joq s LEU 14 Cb -0.14 -3.54 -0.11 0.00 0.66 0.00 0.00 46.19 43.06 1joq s LEU 14 CO -0.03 -0.92 -0.30 -0.38 -1.89 0.00 0.00 176.35 172.83 1joq n ILE 15 N 5.83 1.31 -3.48 6.68 5.41 -0.35 -4.96 119.36 129.80 1joq n ILE 15 Ca 0.14 -0.35 0.01 0.00 1.00 0.00 0.00 62.75 63.54 1joq n ILE 15 Cb 0.46 -1.77 -0.05 0.00 -0.71 0.00 0.00 39.64 37.57 1joq n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1joq s LYS 16 N -2.44 0.24 0.32 0.38 2.20 -0.96 -5.02 119.74 114.46 1joq s LYS 16 Ca -0.33 0.50 -0.24 0.00 -0.36 0.00 0.00 55.97 55.53 1joq s LYS 16 Cb 0.12 0.20 -0.10 0.00 -1.51 0.00 0.00 37.83 36.54 1joq s LYS 16 CO 0.43 -0.07 0.91 0.00 -0.36 0.00 0.00 175.35 176.27 1joq s ALA 17 N 1.82 3.22 -0.04 3.13 0.00 -1.26 -1.58 121.76 127.04 1joq s ALA 17 Ca -0.05 0.45 -0.01 0.00 0.00 0.00 0.00 51.96 52.35 1joq s ALA 17 Cb -0.04 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 1joq s ALA 17 CO -0.15 0.19 -0.05 -0.89 0.00 0.00 0.00 175.76 174.86 1joq n ILE 18 N 0.41 0.24 -3.93 0.00 5.41 -0.98 -4.91 119.36 115.60 1joq n ILE 18 Ca 0.02 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.70 1joq n ILE 18 Cb 0.51 -1.23 0.00 0.00 -0.71 0.00 0.00 39.64 38.21 1joq n ILE 18 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1joq n ASP 19 N -2.99 0.93 0.08 4.38 9.92 -0.79 -4.93 116.55 123.16 1joq n ASP 19 Ca -0.08 -0.93 -0.10 0.00 -0.53 0.00 0.00 54.79 53.14 1joq n ASP 19 Cb 0.57 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 41.02 1joq n ASP 19 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1joq h GLY 20 N 0.00 0.28 -0.93 0.44 0.00 -1.81 -3.28 103.07 97.78 1joq h GLY 20 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1joq h GLY 20 CO 0.00 0.45 0.00 1.22 0.00 0.00 0.00 176.54 178.21 1joq n ASP 21 N -3.67 2.27 -4.26 0.19 8.00 -1.26 -4.72 116.55 113.10 1joq n ASP 21 Ca -0.05 -1.68 -0.32 0.00 0.71 0.00 0.00 54.79 53.45 1joq n ASP 21 Cb 0.82 -0.09 -0.16 0.00 -0.02 0.00 0.00 41.12 41.67 1joq n ASP 21 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1joq s THR 22 N -0.90 2.37 -0.16 -3.53 2.01 -1.24 -1.97 115.64 112.23 1joq s THR 22 Ca 0.15 -0.90 -0.08 0.00 0.31 0.00 0.00 61.69 61.18 1joq s THR 22 Cb 0.09 -1.94 0.06 0.00 0.01 0.00 0.00 72.50 70.72 1joq s THR 22 CO 0.13 0.55 0.37 0.68 -0.69 0.00 0.00 174.62 175.65 1joq s VAL 23 N 0.44 -0.19 -0.37 3.82 -7.23 -1.00 -1.88 120.40 113.99 1joq s VAL 23 Ca -0.14 0.14 -0.27 0.00 -1.81 0.00 0.00 61.98 59.90 1joq s VAL 23 Cb -0.17 -0.56 0.02 0.00 0.56 0.00 0.00 36.38 36.23 1joq s VAL 23 CO 0.06 0.06 0.98 -0.54 -0.31 0.00 0.00 175.10 175.35 1joq s LYS 24 N 1.72 3.88 0.00 4.82 1.02 -0.61 -1.85 119.74 128.72 1joq s LYS 24 Ca -0.07 0.68 0.00 0.00 0.02 0.00 0.00 55.97 56.60 1joq s LYS 24 Cb -0.10 -3.80 0.00 0.00 -0.52 0.00 0.00 37.83 33.41 1joq s LYS 24 CO -0.12 -0.98 0.00 1.28 -0.92 0.00 0.00 175.35 174.61 1joq n LEU 25 N 6.91 0.00 -4.14 3.17 4.77 -0.80 -1.22 117.00 125.69 1joq n LEU 25 Ca 0.09 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.80 1joq n LEU 25 Cb 0.48 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.41 1joq n LEU 25 CO 0.60 0.00 -0.51 -0.32 -1.33 0.00 0.00 177.39 175.83 1joq s MET 26 N -1.86 1.91 -0.12 3.23 1.75 0.97 -2.45 119.30 122.73 1joq s MET 26 Ca 0.00 -0.62 -0.00 0.00 -1.25 0.00 0.00 55.69 53.81 1joq s MET 26 Cb 0.00 -1.63 0.02 0.00 2.84 0.00 0.00 34.83 36.07 1joq s MET 26 CO 0.00 0.22 -0.09 -0.47 -0.65 0.00 0.00 175.02 174.03 1joq s TYR 27 N 0.12 1.59 -1.36 4.11 5.04 -0.61 -1.85 117.35 124.40 1joq s TYR 27 Ca -0.06 -0.81 0.00 0.00 -2.44 0.00 0.00 57.07 53.76 1joq s TYR 27 Cb -0.13 -1.28 0.00 0.00 0.35 0.00 0.00 41.96 40.90 1joq s TYR 27 CO 0.03 -0.53 0.00 1.63 -1.34 0.00 0.00 175.55 175.34 1joq n LYS 28 N 4.86 -1.57 -0.97 4.97 5.02 -1.26 -1.07 118.16 128.14 1joq n LYS 28 Ca -0.14 0.88 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 1joq n LYS 28 Cb 0.50 -5.18 0.00 0.00 -0.02 0.00 0.00 35.03 30.33 1joq n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1joq n GLY 29 N 0.01 1.12 2.84 0.72 0.00 -1.26 -5.08 105.19 103.55 1joq n GLY 29 Ca -0.13 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.34 1joq n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1joq s GLN 30 N -2.18 0.86 -0.42 1.61 0.74 -0.23 -5.10 119.66 114.94 1joq s GLN 30 Ca 0.00 -0.04 -0.29 0.00 0.05 0.00 0.00 55.36 55.08 1joq s GLN 30 Cb 0.00 -1.03 0.01 0.00 1.10 0.00 0.00 33.01 33.09 1joq s GLN 30 CO 0.00 -0.21 1.35 -1.25 -0.55 0.00 0.00 175.29 174.63 1joq s PRO 31 N 1.50 3.63 0.11 1.67 0.04 -1.26 -1.57 135.00 139.13 1joq s PRO 31 Ca -0.02 0.88 -0.01 0.00 0.04 0.00 0.00 61.00 61.90 1joq s PRO 31 Cb -0.13 -3.99 -0.04 0.00 0.04 0.00 0.00 34.50 30.38 1joq s PRO 31 CO -0.03 -1.50 0.03 -1.64 0.04 0.00 0.00 177.00 173.90 1joq s MET 32 N 4.79 0.86 -0.22 4.56 -1.94 -1.03 -5.01 119.30 121.31 1joq s MET 32 Ca 0.58 -1.39 -0.10 0.00 -1.71 0.00 0.00 55.69 53.07 1joq s MET 32 Cb -0.13 0.20 -0.05 0.00 2.01 0.00 0.00 34.83 36.87 1joq s MET 32 CO 0.32 -0.22 0.14 0.99 -0.01 0.00 0.00 175.02 176.25 1joq s THR 33 N -3.99 5.35 0.05 2.05 2.01 -1.26 -1.91 115.64 117.94 1joq s THR 33 Ca 0.20 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.40 1joq s THR 33 Cb 0.07 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 1joq s THR 33 CO -0.01 0.39 0.06 -0.36 -0.69 0.00 0.00 174.62 174.01 1joq s PHE 34 N 0.74 3.17 0.01 4.92 0.40 -0.77 -1.59 117.98 124.86 1joq s PHE 34 Ca 0.08 0.10 0.06 0.00 -0.60 0.00 0.00 56.93 56.57 1joq s PHE 34 Cb -0.12 -1.65 -0.02 0.00 0.51 0.00 0.00 43.02 41.74 1joq s PHE 34 CO 0.02 0.51 -0.19 1.03 0.70 0.00 0.00 175.22 177.29 1joq s ARG 35 N -2.08 1.43 0.26 0.44 1.81 -0.99 -2.38 118.95 117.44 1joq s ARG 35 Ca 0.26 -0.78 -0.30 0.00 -1.72 0.00 0.00 55.73 53.19 1joq s ARG 35 Cb -0.12 -1.45 -0.10 0.00 -0.45 0.00 0.00 34.95 32.83 1joq s ARG 35 CO 0.18 0.39 1.41 -0.51 -0.68 0.00 0.00 175.30 176.08 1joq s LEU 36 N -0.78 4.39 0.28 2.53 1.43 -0.83 -4.03 118.68 121.68 1joq s LEU 36 Ca 0.07 2.65 -0.08 0.00 -1.03 0.00 0.00 54.13 55.74 1joq s LEU 36 Cb -0.08 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.45 1joq s LEU 36 CO 0.00 -0.66 0.59 -0.76 0.23 0.00 0.00 176.35 175.75 1joq s LEU 37 N -0.60 4.07 -1.14 1.79 1.43 -1.26 -4.03 118.68 118.95 1joq s LEU 37 Ca 0.57 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.56 1joq s LEU 37 Cb -0.41 -3.69 0.00 0.00 0.03 0.00 0.00 46.19 42.12 1joq s LEU 37 CO 0.45 -0.17 0.00 0.18 0.23 0.00 0.00 176.35 177.03 1joq n LEU 38 N -0.63 -0.47 -4.20 1.79 4.77 -1.22 -4.94 117.00 112.11 1joq n LEU 38 Ca 0.00 0.27 -0.15 0.00 -0.03 0.00 0.00 56.01 56.10 1joq n LEU 38 Cb 0.53 -2.35 -0.08 0.00 -2.33 0.00 0.00 43.42 39.19 1joq n LEU 38 CO 0.46 -0.88 -0.11 0.68 -1.33 0.00 0.00 177.39 176.21 1joq s VAL 39 N -2.08 0.00 -0.29 4.08 -7.23 -0.60 -1.27 120.40 113.01 1joq s VAL 39 Ca 0.00 -1.89 -0.12 0.00 -1.81 0.00 0.00 61.98 58.16 1joq s VAL 39 Cb 0.00 -2.49 0.11 0.00 0.56 0.00 0.00 36.38 34.56 1joq s VAL 39 CO 0.00 0.00 0.66 -0.62 -0.31 0.00 0.00 175.10 174.83 1joq s ASP 40 N -3.23 -1.08 0.46 4.85 2.15 0.61 -4.27 116.67 116.15 1joq s ASP 40 Ca 0.37 1.56 0.01 0.00 0.43 0.00 0.00 52.55 54.91 1joq s ASP 40 Cb 0.04 2.01 -0.00 0.00 -0.30 0.00 0.00 42.92 44.67 1joq s ASP 40 CO 0.18 -0.23 0.67 0.42 -0.17 0.00 0.00 175.17 176.05 1joq s THR 41 N 2.49 3.90 -0.03 1.71 -4.23 -1.26 -2.57 115.64 115.65 1joq s THR 41 Ca -0.07 -0.52 0.25 0.00 -1.18 0.00 0.00 61.69 60.16 1joq s THR 41 Cb -0.10 -3.44 0.27 0.00 1.34 0.00 0.00 72.50 70.57 1joq s THR 41 CO -0.19 -0.31 1.76 1.55 -0.54 0.00 0.00 174.62 176.89 1joq h PRO 42 N 0.38 0.00 -3.19 3.99 0.13 -1.84 -3.50 132.00 127.98 1joq h PRO 42 Ca -0.46 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 64.96 1joq h PRO 42 Cb 1.26 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.23 1joq h PRO 42 CO 0.57 0.17 -1.13 -1.91 -0.23 0.00 0.00 178.00 175.47 1joq n GLU 43 N -3.24 -3.08 -3.45 0.86 2.13 -1.26 -4.87 120.64 107.73 1joq n GLU 43 Ca 0.01 2.52 -0.27 0.00 0.66 0.00 0.00 57.16 60.08 1joq n GLU 43 Cb 0.47 -3.53 -0.10 0.00 0.27 0.00 0.00 31.44 28.54 1joq n GLU 43 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1joq s THR 44 N -4.30 0.62 -0.16 6.31 -4.23 -1.26 -4.82 115.64 107.80 1joq s THR 44 Ca 0.00 -2.81 -0.23 0.00 -1.18 0.00 0.00 61.69 57.48 1joq s THR 44 Cb 0.00 -1.44 -0.23 0.00 1.34 0.00 0.00 72.50 72.17 1joq s THR 44 CO 0.00 -1.20 0.46 0.11 -0.54 0.00 0.00 174.62 173.45 1joq h LYS 45 N 5.65 0.05 -4.84 3.99 1.57 -1.96 -3.43 116.57 117.60 1joq h LYS 45 Ca 0.25 -0.09 -0.70 0.00 -1.87 0.00 0.00 60.65 58.24 1joq h LYS 45 Cb 0.89 0.03 -0.19 0.00 0.08 0.00 0.00 32.23 33.05 1joq h LYS 45 CO 0.41 1.04 -0.16 -1.58 -0.57 0.00 0.00 179.45 178.59 1joq s HIS 46 N -2.34 3.15 -0.08 -1.35 2.46 -1.26 -4.94 115.29 110.94 1joq s HIS 46 Ca -0.24 -0.45 -0.20 0.00 0.47 0.00 0.00 55.06 54.64 1joq s HIS 46 Cb 0.03 -3.05 -0.16 0.00 -0.13 0.00 0.00 32.58 29.27 1joq s HIS 46 CO 0.66 -0.78 0.73 -1.00 -2.47 0.00 0.00 174.74 171.88 1joq h PRO 47 N 8.78 -0.13 -0.63 2.88 0.13 -1.94 -3.23 132.00 137.87 1joq h PRO 47 Ca -0.27 0.01 0.18 0.00 -0.87 0.00 0.00 66.00 65.05 1joq h PRO 47 Cb 1.11 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 1joq h PRO 47 CO 0.84 0.35 0.46 1.57 -0.23 0.00 0.00 178.00 180.99 1joq h LYS 48 N -0.90 0.00 0.00 0.86 2.10 -1.96 -3.44 116.57 113.22 1joq h LYS 48 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1joq h LYS 48 Cb 0.54 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 1joq h LYS 48 CO 0.02 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.10 1joq n LYS 49 N -4.33 0.00 0.00 0.07 5.02 -1.23 -5.08 118.16 112.61 1joq n LYS 49 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1joq n LYS 49 Cb 0.71 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.72 1joq n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1joq n GLY 50 N 0.00 3.27 3.96 0.72 0.00 -1.22 -4.57 105.19 107.35 1joq n GLY 50 Ca 0.00 0.26 -0.22 0.00 0.00 0.00 0.00 46.02 46.06 1joq n GLY 50 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1joq s VAL 51 N 0.00 5.15 0.00 1.61 -7.23 -1.26 -5.00 120.40 113.67 1joq s VAL 51 Ca 0.00 -0.75 0.00 0.00 -1.81 0.00 0.00 61.98 59.42 1joq s VAL 51 Cb 0.00 -3.84 0.00 0.00 0.56 0.00 0.00 36.38 33.10 1joq s VAL 51 CO 0.00 -0.43 0.00 -1.84 -0.31 0.00 0.00 175.10 172.52 1joq n GLU 52 N -1.59 0.00 0.00 4.82 0.28 -1.26 -4.66 120.64 118.23 1joq n GLU 52 Ca -0.07 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.92 1joq n GLU 52 Cb 0.57 -0.33 -0.01 0.00 1.43 0.00 0.00 31.44 33.10 1joq n GLU 52 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1joq h LYS 53 N 0.00 -0.07 -1.81 3.44 6.56 -1.99 -3.27 116.57 119.44 1joq h LYS 53 Ca 0.00 0.00 -0.58 0.00 -1.06 0.00 0.00 60.65 59.02 1joq h LYS 53 Cb 0.00 0.01 -0.42 0.00 -0.57 0.00 0.00 32.23 31.26 1joq h LYS 53 CO 0.00 -0.04 -0.73 0.66 -2.06 0.00 0.00 179.45 177.27 1joq n TYR 54 N -2.82 3.45 0.00 -1.35 4.01 -1.26 -4.88 117.16 114.31 1joq n TYR 54 Ca -0.01 -3.47 0.00 0.00 -0.16 0.00 0.00 57.90 54.27 1joq n TYR 54 Cb 0.04 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 38.81 1joq n TYR 54 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1joq n GLY 55 N -0.35 0.27 3.57 2.72 0.00 -1.24 -4.66 105.19 105.51 1joq n GLY 55 Ca 0.34 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 1joq n GLY 55 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1joq s PRO 56 N -0.34 3.77 0.00 1.61 0.04 -1.26 -3.84 135.00 134.98 1joq s PRO 56 Ca 0.00 -1.69 0.00 0.00 0.04 0.00 0.00 61.00 59.35 1joq s PRO 56 Cb 0.00 -5.47 0.00 0.00 0.04 0.00 0.00 34.50 29.07 1joq s PRO 56 CO 0.00 -2.37 0.00 -1.91 0.04 0.00 0.00 177.00 172.76 1joq n GLU 57 N 8.53 0.00 0.08 4.56 0.00 -1.26 -4.97 120.64 127.58 1joq n GLU 57 Ca 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.52 1joq n GLU 57 Cb 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.86 1joq n GLU 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1joq h ALA 58 N 0.00 -0.29 -0.84 4.31 0.00 -1.83 -1.63 119.26 118.98 1joq h ALA 58 Ca 0.00 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 54.93 1joq h ALA 58 Cb 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 17.78 1joq h ALA 58 CO 0.00 -0.32 0.32 0.66 0.00 0.00 0.00 179.25 179.92 1joq h SER 59 N -0.98 0.23 -0.38 0.00 4.64 -1.79 0.28 113.55 115.55 1joq h SER 59 Ca -0.03 0.15 -0.11 0.00 -0.47 0.00 0.00 61.79 61.33 1joq h SER 59 Cb 0.44 0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 1joq h SER 59 CO 0.05 0.00 -0.16 0.00 -0.87 0.00 0.00 176.83 175.85 1joq h ALA 60 N 1.67 0.88 0.19 5.18 0.00 -1.88 -1.24 119.26 124.04 1joq h ALA 60 Ca 0.50 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1joq h ALA 60 Cb 0.91 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1joq h ALA 60 CO -0.51 0.63 -0.47 0.35 0.00 0.00 0.00 179.25 179.25 1joq h PHE 61 N 0.76 -1.35 0.00 0.00 3.57 0.58 0.31 116.94 120.81 1joq h PHE 61 Ca 0.12 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1joq h PHE 61 Cb 0.68 0.56 0.00 0.00 2.79 0.00 0.00 35.95 39.98 1joq h PHE 61 CO 0.04 -0.55 0.00 1.15 -2.23 0.00 0.00 178.31 176.72 1joq h THR 62 N -0.73 0.00 0.40 4.41 2.02 -1.45 -2.03 112.91 115.53 1joq h THR 62 Ca -0.02 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.85 1joq h THR 62 Cb 0.70 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1joq h THR 62 CO -0.21 0.00 -0.19 0.50 0.37 0.00 0.00 175.52 175.99 1joq h LYS 63 N 0.00 -0.51 -0.10 6.66 3.64 0.29 -2.15 116.57 124.39 1joq h LYS 63 Ca 0.00 0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.19 1joq h LYS 63 Cb 0.36 0.12 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1joq h LYS 63 CO 0.00 -0.20 -0.82 0.87 -2.27 0.00 0.00 179.45 177.03 1joq h LYS 64 N -0.86 0.66 0.16 1.90 1.57 -1.26 -1.20 116.57 117.54 1joq h LYS 64 Ca -0.05 -0.58 -0.00 0.00 -1.87 0.00 0.00 60.65 58.14 1joq h LYS 64 Cb 0.55 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1joq h LYS 64 CO 0.09 1.19 -0.16 1.98 -0.57 0.00 0.00 179.45 181.98 1joq h MET 65 N 0.44 -0.31 0.00 3.15 4.05 -1.42 -1.40 114.93 119.43 1joq h MET 65 Ca -0.06 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.36 1joq h MET 65 Cb 1.44 0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 32.31 1joq h MET 65 CO 0.16 -0.21 -0.08 -0.39 0.23 0.00 0.00 176.91 176.62 1joq h VAL 66 N -0.33 0.92 -0.62 -5.77 -1.51 -1.50 0.01 116.25 107.46 1joq h VAL 66 Ca -0.02 -0.27 0.04 0.00 -1.23 0.00 0.00 66.70 65.21 1joq h VAL 66 Cb 0.28 1.15 -0.03 0.00 -2.13 0.00 0.00 31.29 30.56 1joq h VAL 66 CO -0.02 0.07 0.41 -0.33 -1.23 0.00 0.00 177.57 176.47 1joq h GLU 67 N 0.00 0.69 -0.01 5.19 4.39 -0.57 -1.35 114.58 122.91 1joq h GLU 67 Ca -0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1joq h GLU 67 Cb 0.15 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1joq h GLU 67 CO 0.01 0.45 -0.48 0.09 -1.16 0.00 0.00 179.01 177.92 1joq n ASN 68 N -4.47 1.87 -4.48 1.42 3.02 -0.59 -4.93 115.26 107.11 1joq n ASN 68 Ca 0.08 -1.43 -0.51 0.00 -0.03 0.00 0.00 54.58 52.68 1joq n ASN 68 Cb 0.15 0.52 -0.07 0.00 -0.61 0.00 0.00 39.78 39.77 1joq n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1joq n ALA 69 N -0.15 1.00 -0.14 5.41 0.00 -0.10 -4.80 120.51 121.74 1joq n ALA 69 Ca 0.08 -0.01 -0.08 0.00 0.00 0.00 0.00 53.44 53.43 1joq n ALA 69 Cb 0.43 -2.53 0.07 0.00 0.00 0.00 0.00 19.45 17.42 1joq n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1joq h LYS 70 N 11.91 0.89 -3.64 0.00 1.57 -1.90 -3.42 116.57 121.99 1joq h LYS 70 Ca -0.30 -0.32 -0.40 0.00 -1.87 0.00 0.00 60.65 57.77 1joq h LYS 70 Cb 1.32 -0.06 -0.37 0.00 0.08 0.00 0.00 32.23 33.19 1joq h LYS 70 CO 1.01 0.96 -0.76 0.15 -0.57 0.00 0.00 179.45 180.25 1joq s LYS 71 N -4.80 0.39 -0.22 3.15 -0.14 -1.26 -5.03 119.74 111.83 1joq s LYS 71 Ca -0.10 0.15 -0.03 0.00 -1.36 0.00 0.00 55.97 54.62 1joq s LYS 71 Cb 0.13 -0.74 -0.00 0.00 -1.68 0.00 0.00 37.83 35.54 1joq s LYS 71 CO 0.84 -0.25 -0.06 0.42 -0.76 0.00 0.00 175.35 175.54 1joq s ILE 72 N 1.72 3.24 -0.11 2.17 1.09 -1.26 -3.30 121.20 124.75 1joq s ILE 72 Ca 0.00 -0.55 0.03 0.00 -1.10 0.00 0.00 60.65 59.04 1joq s ILE 72 Cb -0.13 -2.47 0.01 0.00 -1.06 0.00 0.00 42.46 38.81 1joq s ILE 72 CO -0.04 0.43 -0.22 -1.61 -0.10 0.00 0.00 174.94 173.40 1joq s GLU 73 N 1.46 2.88 0.09 2.79 0.41 -1.03 -0.71 118.70 124.59 1joq s GLU 73 Ca 0.06 -0.81 -0.14 0.00 -0.41 0.00 0.00 54.97 53.66 1joq s GLU 73 Cb -0.14 -2.25 -0.06 0.00 -1.78 0.00 0.00 34.13 29.89 1joq s GLU 73 CO -0.04 0.09 0.50 0.14 -0.49 0.00 0.00 175.26 175.45 1joq s VAL 74 N 0.57 4.91 -0.56 2.63 -7.23 0.12 -1.52 120.40 119.33 1joq s VAL 74 Ca -0.14 0.83 0.04 0.00 -1.81 0.00 0.00 61.98 60.90 1joq s VAL 74 Cb -0.17 -3.74 0.14 0.00 0.56 0.00 0.00 36.38 33.17 1joq s VAL 74 CO 0.04 0.37 0.32 -0.70 -0.31 0.00 0.00 175.10 174.82 1joq s GLU 75 N -1.64 2.01 0.17 4.82 2.12 -0.10 -2.20 118.70 123.89 1joq s GLU 75 Ca 0.33 -2.74 -0.34 0.00 0.36 0.00 0.00 54.97 52.58 1joq s GLU 75 Cb -0.16 -3.20 -0.14 0.00 0.26 0.00 0.00 34.13 30.90 1joq s GLU 75 CO 0.18 -1.17 1.57 1.19 -0.54 0.00 0.00 175.26 176.49 1joq n PHE 76 N 2.84 2.28 -0.71 5.30 3.72 -1.26 -2.28 117.46 127.36 1joq n PHE 76 Ca 0.10 0.28 -0.12 0.00 -0.05 0.00 0.00 57.45 57.66 1joq n PHE 76 Cb 0.33 -2.54 0.10 0.00 -0.94 0.00 0.00 39.48 36.43 1joq n PHE 76 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1joq n ASP 77 N 3.30 -1.45 0.04 4.37 -0.08 -1.25 -4.63 116.55 116.85 1joq n ASP 77 Ca 0.16 -0.76 0.11 0.00 -1.51 0.00 0.00 54.79 52.80 1joq n ASP 77 Cb 0.29 -0.40 0.07 0.00 2.34 0.00 0.00 41.12 43.42 1joq n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1joq n LYS 78 N -2.83 0.32 0.00 -0.67 0.00 -1.26 -4.83 118.16 108.89 1joq n LYS 78 Ca 0.06 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 1joq n LYS 78 Cb 0.23 -1.64 0.00 0.00 -0.00 0.00 0.00 35.03 33.62 1joq n LYS 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1joq n GLY 79 N 1.34 -0.02 3.92 2.58 0.00 -1.26 -5.00 105.19 106.75 1joq n GLY 79 Ca 0.02 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 1joq n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1joq s GLN 80 N 0.00 2.30 -0.00 1.61 -0.21 -1.26 -5.00 119.66 117.10 1joq s GLN 80 Ca 0.00 -0.10 0.03 0.00 0.02 0.00 0.00 55.36 55.31 1joq s GLN 80 Cb 0.00 -2.13 -0.03 0.00 1.00 0.00 0.00 33.01 31.84 1joq s GLN 80 CO 0.00 -1.21 0.12 0.54 -2.12 0.00 0.00 175.29 172.61 1joq n ARG 81 N -2.95 5.12 -3.80 2.91 1.74 -1.26 -4.64 116.66 113.77 1joq n ARG 81 Ca 0.07 -0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.02 1joq n ARG 81 Cb 0.60 -0.70 -0.12 0.00 -1.02 0.00 0.00 32.46 31.21 1joq n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1joq s THR 82 N -1.42 0.00 0.00 0.55 -4.23 -1.26 -2.01 115.64 107.28 1joq s THR 82 Ca 0.01 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 1joq s THR 82 Cb 0.02 -0.29 0.00 0.00 1.34 0.00 0.00 72.50 73.57 1joq s THR 82 CO 0.12 -0.01 0.00 0.47 -0.54 0.00 0.00 174.62 174.66 1joq n ASP 83 N 2.93 0.00 0.13 3.99 9.92 -0.83 -4.88 116.55 127.80 1joq n ASP 83 Ca -0.13 -0.52 0.12 0.00 -0.53 0.00 0.00 54.79 53.74 1joq n ASP 83 Cb 0.59 0.00 0.47 0.00 -0.64 0.00 0.00 41.12 41.53 1joq n ASP 83 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1joq n LYS 84 N -0.52 0.22 -0.05 -1.24 2.85 -1.26 -2.21 118.16 115.96 1joq n LYS 84 Ca 0.00 0.36 0.12 0.00 -1.05 0.00 0.00 58.31 57.74 1joq n LYS 84 Cb 0.00 -1.86 0.26 0.00 -0.65 0.00 0.00 35.03 32.78 1joq n LYS 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1joq n TYR 85 N -2.27 0.12 -0.98 5.58 4.01 -1.26 -4.91 117.16 117.46 1joq n TYR 85 Ca 0.03 -0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1joq n TYR 85 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 1joq n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1joq n GLY 86 N 1.31 0.59 3.76 2.72 0.00 -0.94 -5.01 105.19 107.62 1joq n GLY 86 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1joq n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1joq s ARG 87 N -0.02 4.69 0.13 1.61 0.52 -1.26 -4.73 118.95 119.88 1joq s ARG 87 Ca 0.00 1.67 -0.29 0.00 -0.52 0.00 0.00 55.73 56.60 1joq s ARG 87 Cb 0.00 -3.18 -0.07 0.00 0.52 0.00 0.00 34.95 32.23 1joq s ARG 87 CO 0.00 0.30 0.91 0.20 0.02 0.00 0.00 175.30 176.73 1joq s GLY 88 N -1.03 2.99 -0.24 -3.53 0.00 -0.62 -1.97 107.32 102.91 1joq s GLY 88 Ca 0.44 0.52 -0.06 0.00 0.00 0.00 0.00 44.72 45.62 1joq s GLY 88 CO 0.37 1.29 0.04 1.08 0.00 0.00 0.00 173.10 175.88 1joq s LEU 89 N -0.36 3.32 0.02 0.66 1.43 -0.85 -2.35 118.68 120.54 1joq s LEU 89 Ca 0.43 -0.29 -0.29 0.00 -1.03 0.00 0.00 54.13 52.95 1joq s LEU 89 Cb -0.23 -1.87 0.10 0.00 0.03 0.00 0.00 46.19 44.22 1joq s LEU 89 CO 0.29 -0.04 1.09 0.00 0.23 0.00 0.00 176.35 177.91 1joq s ALA 90 N 1.57 -1.93 -0.24 4.21 0.00 -1.26 -3.84 121.76 120.27 1joq s ALA 90 Ca 0.06 0.70 -0.13 0.00 0.00 0.00 0.00 51.96 52.59 1joq s ALA 90 Cb -0.15 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 1joq s ALA 90 CO 0.02 -0.91 0.27 0.71 0.00 0.00 0.00 175.76 175.85 1joq s TYR 91 N -2.86 3.31 0.11 0.00 2.02 -0.96 -4.10 117.35 114.87 1joq s TYR 91 Ca 0.11 0.36 -0.15 0.00 -0.37 0.00 0.00 57.07 57.02 1joq s TYR 91 Cb 0.01 -2.42 -0.07 0.00 -0.40 0.00 0.00 41.96 39.08 1joq s TYR 91 CO -0.03 -0.04 0.53 0.42 -1.57 0.00 0.00 175.55 174.85 1joq s ILE 92 N 1.43 4.86 -0.13 2.71 1.01 -1.26 -0.92 121.20 128.90 1joq s ILE 92 Ca 0.12 0.89 0.00 0.00 0.00 0.00 0.00 60.65 61.67 1joq s ILE 92 Cb -0.15 -3.76 0.02 0.00 0.01 0.00 0.00 42.46 38.58 1joq s ILE 92 CO 0.07 0.35 -0.12 -0.31 0.00 0.00 0.00 174.94 174.94 1joq s TYR 93 N -1.34 1.88 -0.16 3.97 1.51 -0.58 -1.75 117.35 120.88 1joq s TYR 93 Ca 0.34 -1.00 -0.02 0.00 -1.01 0.00 0.00 57.07 55.38 1joq s TYR 93 Cb -0.16 -1.43 -0.02 0.00 -0.11 0.00 0.00 41.96 40.24 1joq s TYR 93 CO 0.18 -0.58 -0.08 0.00 -1.11 0.00 0.00 175.55 173.96 1joq s ALA 94 N 1.49 2.79 -1.29 3.71 0.00 0.51 -2.48 121.76 126.50 1joq s ALA 94 Ca 0.03 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.05 1joq s ALA 94 Cb -0.13 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.54 1joq s ALA 94 CO -0.08 0.05 0.00 -0.25 0.00 0.00 0.00 175.76 175.48 1joq n ASP 95 N 3.87 -4.46 -0.07 0.00 8.00 -1.21 -1.74 116.55 120.94 1joq n ASP 95 Ca -0.18 0.07 -0.01 0.00 0.71 0.00 0.00 54.79 55.38 1joq n ASP 95 Cb 0.52 -3.53 -0.00 0.00 -0.02 0.00 0.00 41.12 38.08 1joq n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1joq n GLY 96 N -1.06 0.48 3.43 0.44 0.00 -1.26 -5.02 105.19 102.21 1joq n GLY 96 Ca -0.16 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 1joq n GLY 96 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1joq s LYS 97 N -0.86 1.54 -0.33 1.61 2.20 -0.71 -5.09 119.74 118.10 1joq s LYS 97 Ca 0.00 -1.57 -0.26 0.00 -0.36 0.00 0.00 55.97 53.78 1joq s LYS 97 Cb 0.00 -1.83 0.01 0.00 -1.51 0.00 0.00 37.83 34.51 1joq s LYS 97 CO 0.00 0.39 0.94 1.41 -0.36 0.00 0.00 175.35 177.73 1joq s MET 98 N -2.82 3.96 0.34 4.03 -2.45 -1.26 -0.36 119.30 120.73 1joq s MET 98 Ca 0.22 0.76 0.01 0.00 -1.25 0.00 0.00 55.69 55.44 1joq s MET 98 Cb -0.07 -3.76 0.59 0.00 1.25 0.00 0.00 34.83 32.84 1joq s MET 98 CO 0.11 -0.86 1.99 0.28 1.05 0.00 0.00 175.02 177.60 1joq h VAL 99 N 5.73 1.16 -0.74 10.11 2.07 -1.68 -1.16 116.25 131.74 1joq h VAL 99 Ca -0.22 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1joq h VAL 99 Cb 1.08 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1joq h VAL 99 CO 0.97 0.17 0.42 0.78 0.02 0.00 0.00 177.57 179.93 1joq h ASN 100 N 0.93 0.90 1.12 0.57 4.21 -1.91 -0.97 115.58 120.43 1joq h ASN 100 Ca 0.26 -0.06 -0.06 0.00 1.21 0.00 0.00 56.30 57.65 1joq h ASN 100 Cb -0.07 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 36.89 1joq h ASN 100 CO -0.06 0.71 -0.30 -0.08 -1.29 0.00 0.00 177.43 176.41 1joq h GLU 101 N 1.03 0.00 -0.12 0.81 4.81 -1.62 -2.75 114.58 116.74 1joq h GLU 101 Ca 0.26 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.39 1joq h GLU 101 Cb -0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1joq h GLU 101 CO -0.05 0.30 -0.34 0.00 -0.73 0.00 0.00 179.01 178.20 1joq h ALA 102 N 1.70 0.20 -0.47 2.92 0.00 -0.35 -0.82 119.26 122.44 1joq h ALA 102 Ca -0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 1joq h ALA 102 Cb 0.94 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1joq h ALA 102 CO 0.04 0.25 0.12 -0.07 0.00 0.00 0.00 179.25 179.59 1joq h LEU 103 N 0.01 0.71 -1.23 0.00 3.38 -1.34 -1.28 115.31 115.56 1joq h LEU 103 Ca -0.01 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 1joq h LEU 103 Cb 0.96 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1joq h LEU 103 CO 0.07 0.76 -0.35 0.58 0.09 0.00 0.00 178.44 179.59 1joq h VAL 104 N 0.64 1.26 0.00 1.22 2.07 -1.51 -1.45 116.25 118.48 1joq h VAL 104 Ca 0.15 -1.26 -0.12 0.00 0.82 0.00 0.00 66.70 66.29 1joq h VAL 104 Cb 0.32 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1joq h VAL 104 CO 0.00 0.36 -0.59 -0.09 0.02 0.00 0.00 177.57 177.27 1joq h ARG 105 N 0.05 0.00 0.00 1.57 1.12 -0.61 -2.82 114.38 113.69 1joq h ARG 105 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1joq h ARG 105 Cb 0.65 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.61 1joq h ARG 105 CO 0.05 0.59 -0.40 1.96 -3.11 0.00 0.00 179.97 179.06 1joq h GLN 106 N 0.00 0.00 0.00 0.20 1.08 -0.69 -3.43 115.11 112.27 1joq h GLN 106 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1joq h GLN 106 Cb 1.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.49 1joq h GLN 106 CO 0.08 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.37 1joq n GLY 107 N 1.24 0.68 0.03 3.46 0.00 -0.61 -4.39 105.19 105.60 1joq n GLY 107 Ca 0.03 -0.73 0.03 0.00 0.00 0.00 0.00 46.02 45.35 1joq n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1joq n LEU 108 N 0.00 0.00 -4.30 0.99 4.77 -0.83 -2.02 117.00 115.61 1joq n LEU 108 Ca 0.00 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.74 1joq n LEU 108 Cb 0.32 0.15 -0.12 0.00 -2.33 0.00 0.00 43.42 41.43 1joq n LEU 108 CO 0.00 0.15 -0.51 0.00 -1.33 0.00 0.00 177.39 175.69 1joq s ALA 109 N -2.96 1.87 0.12 -1.18 0.00 -1.21 -4.64 121.76 113.75 1joq s ALA 109 Ca -0.07 -1.29 0.06 0.00 0.00 0.00 0.00 51.96 50.65 1joq s ALA 109 Cb 0.09 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 1joq s ALA 109 CO 0.73 0.35 -0.01 0.15 0.00 0.00 0.00 175.76 176.99 1joq s LYS 110 N -2.05 2.46 -0.33 0.00 1.02 -1.06 -4.36 119.74 115.43 1joq s LYS 110 Ca 0.08 -0.93 -0.29 0.00 0.02 0.00 0.00 55.97 54.85 1joq s LYS 110 Cb -0.09 -2.47 0.02 0.00 -0.52 0.00 0.00 37.83 34.76 1joq s LYS 110 CO 0.05 0.51 1.13 0.08 -0.92 0.00 0.00 175.35 176.20 1joq s VAL 111 N -1.41 4.40 0.09 3.17 1.01 -1.26 -0.28 120.40 126.12 1joq s VAL 111 Ca 0.26 1.59 -0.03 0.00 0.00 0.00 0.00 61.98 63.80 1joq s VAL 111 Cb -0.11 -4.39 0.01 0.00 0.00 0.00 0.00 36.38 31.89 1joq s VAL 111 CO 0.18 -0.54 0.17 0.00 0.00 0.00 0.00 175.10 174.91 1joq n ALA 112 N 7.12 -0.37 -2.92 5.51 0.00 -0.40 -4.84 120.51 124.62 1joq n ALA 112 Ca 0.13 -0.31 -0.22 0.00 0.00 0.00 0.00 53.44 53.04 1joq n ALA 112 Cb 0.47 0.25 0.02 0.00 0.00 0.00 0.00 19.45 20.19 1joq n ALA 112 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1joq n TYR 113 N -0.13 -1.78 -2.92 0.00 4.01 -1.26 -1.56 117.16 113.51 1joq n TYR 113 Ca -0.02 0.42 -0.43 0.00 -0.16 0.00 0.00 57.90 57.71 1joq n TYR 113 Cb 0.14 -4.30 -0.04 0.00 -0.31 0.00 0.00 39.34 34.83 1joq n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1joq s VAL 114 N -3.13 4.46 -0.11 -0.72 1.01 -1.26 -4.10 120.40 116.54 1joq s VAL 114 Ca 0.25 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1joq s VAL 114 Cb -0.11 -4.64 -0.01 0.00 0.00 0.00 0.00 36.38 31.62 1joq s VAL 114 CO 0.31 -1.37 -0.16 -0.31 0.00 0.00 0.00 175.10 173.57 1joq s TYR 115 N 3.68 2.73 0.78 5.22 2.02 -1.26 -5.06 117.35 125.46 1joq s TYR 115 Ca 0.19 -0.65 -0.12 0.00 -0.37 0.00 0.00 57.07 56.12 1joq s TYR 115 Cb -0.19 -1.78 0.06 0.00 -0.40 0.00 0.00 41.96 39.66 1joq s TYR 115 CO 0.09 -0.19 1.12 0.15 -1.57 0.00 0.00 175.55 175.14 1joq s LYS 116 N 0.17 2.09 0.00 -0.62 1.02 -1.26 -1.53 119.74 119.61 1joq s LYS 116 Ca -0.09 1.34 0.21 0.00 0.02 0.00 0.00 55.97 57.46 1joq s LYS 116 Cb -0.15 -1.87 1.17 0.00 -0.52 0.00 0.00 37.83 36.46 1joq s LYS 116 CO 0.05 -1.79 1.77 -0.35 -0.92 0.00 0.00 175.35 174.11 1joq n PRO 117 N -3.40 1.15 -1.66 -1.68 -0.04 -1.26 -5.01 135.00 123.10 1joq n PRO 117 Ca 0.10 -0.22 -0.16 0.00 -0.04 0.00 0.00 63.50 63.18 1joq n PRO 117 Cb 0.52 -1.35 -0.07 0.00 -0.04 0.00 0.00 33.50 32.57 1joq n PRO 117 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1joq s ASN 118 N -1.66 4.09 0.00 3.54 0.01 -0.58 -4.39 114.94 115.95 1joq s ASN 118 Ca 0.32 -0.16 0.00 0.00 -0.71 0.00 0.00 52.86 52.31 1joq s ASN 118 Cb 0.15 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.26 1joq s ASN 118 CO 0.25 -3.73 0.65 0.59 -1.51 0.00 0.00 177.10 173.35 1joq n ASN 119 N 17.87 0.00 -0.11 -1.22 3.02 -1.26 -4.26 115.26 129.30 1joq n ASN 119 Ca 0.45 -1.38 -0.06 0.00 -0.03 0.00 0.00 54.58 53.57 1joq n ASN 119 Cb 0.44 -0.08 0.02 0.00 -0.61 0.00 0.00 39.78 39.56 1joq n ASN 119 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1joq h THR 120 N 4.67 0.86 -0.61 3.41 2.02 -1.99 -2.37 112.91 118.90 1joq h THR 120 Ca 0.00 -0.09 -0.28 0.00 0.77 0.00 0.00 66.41 66.81 1joq h THR 120 Cb 1.15 0.58 -0.17 0.00 -1.74 0.00 0.00 68.15 67.98 1joq h THR 120 CO 0.00 0.05 0.22 1.41 0.37 0.00 0.00 175.52 177.56 1joq n HIS 121 N -5.04 1.91 0.03 3.16 8.25 -1.26 -4.55 115.22 117.72 1joq n HIS 121 Ca 0.02 -1.56 -0.19 0.00 -0.26 0.00 0.00 57.72 55.73 1joq n HIS 121 Cb 0.15 -0.65 -0.13 0.00 1.12 0.00 0.00 29.99 30.48 1joq n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1joq h GLU 122 N 1.32 0.33 -0.21 -0.41 4.57 -1.75 -2.94 114.58 115.49 1joq h GLU 122 Ca 0.34 -0.47 -0.10 0.00 -1.18 0.00 0.00 59.36 57.96 1joq h GLU 122 Cb 2.13 0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 30.88 1joq h GLU 122 CO 0.66 1.18 -0.25 1.96 -1.18 0.00 0.00 179.01 181.38 1joq h GLN 123 N -0.29 0.53 0.29 1.92 1.08 -1.80 -1.92 115.11 114.91 1joq h GLN 123 Ca -0.11 -0.30 -0.00 0.00 -1.45 0.00 0.00 58.65 56.79 1joq h GLN 123 Cb 1.49 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.91 1joq h GLN 123 CO 0.13 0.89 -0.46 1.25 -0.95 0.00 0.00 178.83 179.69 1joq h LEU 124 N 0.21 -1.32 -2.08 1.46 5.85 -1.83 0.74 115.31 118.34 1joq h LEU 124 Ca 0.03 0.12 0.09 0.00 0.84 0.00 0.00 57.88 58.96 1joq h LEU 124 Cb 0.81 0.46 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1joq h LEU 124 CO 0.06 -0.55 0.27 -0.07 -0.34 0.00 0.00 178.44 177.81 1joq h LEU 125 N -0.79 0.00 0.30 2.25 3.38 -1.57 -2.09 115.31 116.79 1joq h LEU 125 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1joq h LEU 125 Cb 0.73 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1joq h LEU 125 CO -0.15 0.00 -0.35 -0.09 0.09 0.00 0.00 178.44 177.94 1joq h ARG 126 N 0.00 -0.67 -0.42 1.13 2.43 -0.02 -0.30 114.38 116.52 1joq h ARG 126 Ca 0.15 0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.33 1joq h ARG 126 Cb 0.68 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.36 1joq h ARG 126 CO -0.00 -0.45 0.09 1.57 -1.51 0.00 0.00 179.97 179.67 1joq h LYS 127 N -0.70 0.63 -0.29 0.20 2.10 -0.94 -1.44 116.57 116.14 1joq h LYS 127 Ca -0.01 -0.11 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 1joq h LYS 127 Cb 0.65 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.86 1joq h LYS 127 CO -0.09 0.59 0.19 0.77 -2.00 0.00 0.00 179.45 178.90 1joq h SER 128 N 0.61 0.33 0.16 7.07 0.02 -0.97 -2.04 113.55 118.72 1joq h SER 128 Ca 0.14 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1joq h SER 128 Cb 0.25 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1joq h SER 128 CO -0.00 0.24 -0.07 -0.08 -1.14 0.00 0.00 176.83 175.78 1joq h GLU 129 N 0.39 -0.20 -1.36 3.45 4.81 -0.01 -2.76 114.58 118.90 1joq h GLU 129 Ca 0.10 0.01 0.39 0.00 -0.13 0.00 0.00 59.36 59.74 1joq h GLU 129 Cb -0.04 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.32 1joq h GLU 129 CO -0.02 0.23 0.97 0.00 -0.73 0.00 0.00 179.01 179.46 1joq h ALA 130 N -0.30 3.22 0.06 2.92 0.00 -1.09 0.49 119.26 124.56 1joq h ALA 130 Ca -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1joq h ALA 130 Cb 0.53 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1joq h ALA 130 CO 0.04 -1.62 -0.03 0.37 0.00 0.00 0.00 179.25 178.00 1joq h GLN 131 N 0.03 -0.08 -0.05 0.00 5.75 -1.24 -2.57 115.11 116.96 1joq h GLN 131 Ca 0.66 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 59.18 1joq h GLN 131 Cb 2.56 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 31.13 1joq h GLN 131 CO -0.04 0.39 0.14 0.00 -2.65 0.00 0.00 178.83 176.66 1joq h ALA 132 N 0.29 1.33 0.05 3.38 0.00 0.19 -0.32 119.26 124.18 1joq h ALA 132 Ca -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1joq h ALA 132 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1joq h ALA 132 CO 0.01 -0.16 -0.02 0.87 0.00 0.00 0.00 179.25 179.95 1joq h LYS 133 N 0.00 -0.06 0.00 0.00 1.57 -0.78 0.41 116.57 117.71 1joq h LYS 133 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1joq h LYS 133 Cb 0.29 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1joq h LYS 133 CO -0.00 0.52 0.00 0.87 -0.57 0.00 0.00 179.45 180.27 1joq h LYS 134 N -0.70 0.00 0.00 3.15 1.57 -0.93 -2.38 116.57 117.28 1joq h LYS 134 Ca -0.01 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.62 1joq h LYS 134 Cb 0.60 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 1joq h LYS 134 CO 0.01 0.00 -1.25 0.93 -0.57 0.00 0.00 179.45 178.58 1joq h GLU 135 N 0.00 0.00 -5.98 3.15 5.08 -0.99 -3.49 114.58 112.35 1joq h GLU 135 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 1joq h GLU 135 Cb 0.43 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.75 1joq h GLU 135 CO 0.00 0.31 -0.74 1.63 -1.00 0.00 0.00 179.01 179.21 1joq n LYS 136 N -2.94 -1.45 -4.18 2.33 4.01 0.12 -4.86 118.16 111.19 1joq n LYS 136 Ca -0.07 0.79 -0.35 0.00 -0.51 0.00 0.00 58.31 58.17 1joq n LYS 136 Cb 0.81 -4.51 -0.10 0.00 -0.51 0.00 0.00 35.03 30.73 1joq n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1joq s LEU 137 N -5.55 3.71 0.00 -0.35 1.43 -1.24 -3.10 118.68 113.58 1joq s LEU 137 Ca 0.31 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 1joq s LEU 137 Cb -0.09 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.23 1joq s LEU 137 CO 0.82 0.27 0.00 -0.46 0.23 0.00 0.00 176.35 177.21 1joq n ASN 138 N 2.87 0.00 0.27 2.29 0.23 -1.26 -1.52 115.26 118.13 1joq n ASN 138 Ca -0.18 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 53.75 1joq n ASN 138 Cb 0.53 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.17 1joq n ASN 138 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 1joq h ILE 139 N 0.00 0.00 0.00 1.53 2.04 -1.72 -2.24 117.51 117.12 1joq h ILE 139 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1joq h ILE 139 Cb 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 1joq h ILE 139 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 178.15 178.94 1joq n TRP 140 N -4.27 0.00 0.00 1.37 7.02 -0.58 -3.58 117.44 117.40 1joq n TRP 140 Ca -0.09 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.39 1joq n TRP 140 Cb 0.31 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.20 1joq n TRP 140 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1joq n SER 141 N -0.81 0.00 0.43 -0.99 2.88 -0.84 -4.06 113.62 110.23 1joq n SER 141 Ca 0.12 0.09 -0.18 0.00 -1.33 0.00 0.00 58.87 57.57 1joq n SER 141 Cb 0.06 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.43 1joq n SER 141 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1joq h GLU 142 N 0.00 -1.04 -5.55 -1.46 5.08 -1.74 -3.38 114.58 106.49 1joq h GLU 142 Ca 0.00 0.07 -0.37 0.00 -1.00 0.00 0.00 59.36 58.07 1joq h GLU 142 Cb 0.00 0.24 0.01 0.00 0.50 0.00 0.00 28.75 29.49 1joq h GLU 142 CO 0.00 -0.68 1.31 -3.47 -1.00 0.00 0.00 179.01 175.16 1joq n ASP 143 N -5.52 2.20 -2.23 1.42 -0.08 -1.23 -4.91 116.55 106.19 1joq n ASP 143 Ca -0.14 -0.72 -0.02 0.00 -1.51 0.00 0.00 54.79 52.40 1joq n ASP 143 Cb 0.44 -1.60 0.01 0.00 2.34 0.00 0.00 41.12 42.30 1joq n ASP 143 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1joq n ASN 144 N 16.54 0.16 -4.41 1.67 4.13 -1.26 -4.49 115.26 127.60 1joq n ASN 144 Ca 0.39 -1.12 -0.45 0.00 1.68 0.00 0.00 54.58 55.09 1joq n ASN 144 Cb 0.52 -0.04 -0.03 0.00 -1.54 0.00 0.00 39.78 38.69 1joq n ASN 144 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1joq s ALA 145 N -2.16 3.49 0.42 5.41 0.00 -1.26 -5.03 121.76 122.64 1joq s ALA 145 Ca 0.05 -2.61 -0.21 0.00 0.00 0.00 0.00 51.96 49.18 1joq s ALA 145 Cb -0.00 -3.78 -0.11 0.00 0.00 0.00 0.00 23.12 19.23 1joq s ALA 145 CO 0.03 -2.65 0.95 0.34 0.00 0.00 0.00 175.76 174.44 1joq s ASP 146 N 3.36 6.94 0.00 0.00 2.15 -1.26 -5.06 116.67 122.80 1joq s ASP 146 Ca 0.23 1.72 0.00 0.00 0.43 0.00 0.00 52.55 54.92 1joq s ASP 146 Cb -0.13 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 1joq s ASP 146 CO -0.03 -0.36 0.00 -0.24 -0.17 0.00 0.00 175.17 174.37 1joq n SER 147 N -0.56 0.86 -4.83 -0.34 2.88 -1.26 -5.13 113.62 105.24 1joq n SER 147 Ca 0.07 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.29 1joq n SER 147 Cb 0.54 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.03 1joq n SER 147 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1joq s GLY 148 N 0.00 1.72 0.00 0.46 0.00 -1.26 -5.32 107.32 102.93 1joq s GLY 148 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.80 1joq s GLY 148 CO 0.00 0.37 0.09 -0.18 0.00 0.00 0.00 173.10 173.38