#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1joq s THR 2 N 0.00 5.13 0.19 0.00 2.01 -1.26 -5.05 115.64 116.66 1joq s THR 2 Ca 0.00 -0.62 -0.31 0.00 0.31 0.00 0.00 61.69 61.07 1joq s THR 2 Cb 0.00 -3.55 -0.10 0.00 0.01 0.00 0.00 72.50 68.85 1joq s THR 2 CO 0.00 0.04 1.56 -0.94 -0.69 0.00 0.00 174.62 174.59 1joq s SER 3 N -2.77 6.57 -0.08 3.53 1.04 -1.26 -4.99 113.70 115.74 1joq s SER 3 Ca 0.33 2.66 0.01 0.00 0.48 0.00 0.00 55.95 59.43 1joq s SER 3 Cb -0.12 -2.60 0.02 0.00 0.10 0.00 0.00 66.02 63.42 1joq s SER 3 CO 0.27 -0.82 -0.07 0.42 0.98 0.00 0.00 173.24 174.02 1joq s THR 4 N 0.86 0.83 0.00 2.02 -4.23 -1.26 -5.13 115.64 108.73 1joq s THR 4 Ca 0.68 -0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.95 1joq s THR 4 Cb -0.44 -0.84 0.00 0.00 1.34 0.00 0.00 72.50 72.56 1joq s THR 4 CO 0.34 0.31 0.00 1.17 -0.54 0.00 0.00 174.62 175.91 1joq n LYS 5 N 4.44 2.89 -4.72 3.99 4.81 -1.26 -5.15 118.16 123.16 1joq n LYS 5 Ca -0.18 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.00 1joq n LYS 5 Cb 0.51 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.41 1joq n LYS 5 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1joq s LYS 6 N -0.07 1.45 0.86 1.64 2.47 -1.26 -5.06 119.74 119.77 1joq s LYS 6 Ca 0.00 -0.91 0.00 0.00 -1.56 0.00 0.00 55.97 53.50 1joq s LYS 6 Cb 0.00 -1.53 0.00 0.00 -1.46 0.00 0.00 37.83 34.84 1joq s LYS 6 CO 0.00 0.40 0.00 1.28 0.16 0.00 0.00 175.35 177.19 1joq n LEU 7 N 1.98 0.00 -4.28 5.43 4.77 -1.26 -4.47 117.00 119.17 1joq n LEU 7 Ca -0.17 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.44 1joq n LEU 7 Cb 0.53 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.49 1joq n LEU 7 CO 0.23 -0.61 -0.28 -2.28 -1.33 0.00 0.00 177.39 173.12 1joq s HIS 8 N 0.00 3.20 -0.16 -1.77 2.46 -1.26 -5.08 115.29 112.68 1joq s HIS 8 Ca 0.00 -1.31 -0.16 0.00 0.47 0.00 0.00 55.06 54.06 1joq s HIS 8 Cb 0.00 -2.24 -0.04 0.00 -0.13 0.00 0.00 32.58 30.17 1joq s HIS 8 CO 0.00 -0.68 0.37 0.15 -2.47 0.00 0.00 174.74 172.11 1joq s LYS 9 N 1.42 4.26 0.07 2.88 1.02 -1.26 -4.35 119.74 123.78 1joq s LYS 9 Ca -0.00 0.23 0.08 0.00 0.02 0.00 0.00 55.97 56.29 1joq s LYS 9 Cb -0.18 -3.46 -0.03 0.00 -0.52 0.00 0.00 37.83 33.64 1joq s LYS 9 CO 0.02 0.14 -0.21 -1.21 -0.92 0.00 0.00 175.35 173.17 1joq s GLU 10 N 0.74 1.30 0.75 1.68 0.41 -1.00 -4.96 118.70 117.61 1joq s GLU 10 Ca 0.20 -1.05 -0.11 0.00 -0.41 0.00 0.00 54.97 53.60 1joq s GLU 10 Cb -0.14 -1.50 0.04 0.00 -1.78 0.00 0.00 34.13 30.75 1joq s GLU 10 CO 0.07 0.37 1.08 -1.25 -0.49 0.00 0.00 175.26 175.04 1joq s PRO 11 N -1.51 2.46 0.37 0.39 0.04 -1.26 -1.33 135.00 134.15 1joq s PRO 11 Ca 0.08 1.05 -0.03 0.00 0.04 0.00 0.00 61.00 62.14 1joq s PRO 11 Cb -0.09 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.53 1joq s PRO 11 CO 0.03 -1.47 0.54 0.00 0.04 0.00 0.00 177.00 176.14 1joq s ALA 12 N -2.97 0.64 0.05 8.56 0.00 -0.70 -4.79 121.76 122.55 1joq s ALA 12 Ca 0.60 -1.47 0.08 0.00 0.00 0.00 0.00 51.96 51.17 1joq s ALA 12 Cb -0.16 1.08 -0.03 0.00 0.00 0.00 0.00 23.12 24.01 1joq s ALA 12 CO 0.56 -0.82 -0.22 0.99 0.00 0.00 0.00 175.76 176.26 1joq s THR 13 N -2.76 1.81 -0.74 0.00 2.01 -0.77 -4.63 115.64 110.56 1joq s THR 13 Ca 0.29 -1.28 -0.22 0.00 0.31 0.00 0.00 61.69 60.79 1joq s THR 13 Cb -0.01 -1.57 0.08 0.00 0.01 0.00 0.00 72.50 71.00 1joq s THR 13 CO 0.21 0.24 1.04 -0.22 -0.69 0.00 0.00 174.62 175.19 1joq s LEU 14 N -1.24 4.40 -0.10 4.42 2.96 -1.26 -1.19 118.68 126.67 1joq s LEU 14 Ca 0.09 -1.19 -0.03 0.00 -0.22 0.00 0.00 54.13 52.78 1joq s LEU 14 Cb -0.09 -2.43 -0.01 0.00 0.50 0.00 0.00 46.19 44.16 1joq s LEU 14 CO 0.02 -1.39 -0.05 0.40 -1.32 0.00 0.00 176.35 174.01 1joq h ILE 15 N 5.99 0.00 -0.65 6.68 2.04 -1.64 -3.48 117.51 126.45 1joq h ILE 15 Ca -0.17 -0.89 0.17 0.00 1.00 0.00 0.00 64.86 64.96 1joq h ILE 15 Cb 1.06 0.00 -0.21 0.00 -0.74 0.00 0.00 36.82 36.93 1joq h ILE 15 CO 1.19 0.00 -0.06 -0.75 0.00 0.00 0.00 178.15 178.52 1joq s LYS 16 N -1.69 0.37 0.25 2.37 2.47 -0.95 -5.02 119.74 117.54 1joq s LYS 16 Ca -0.04 0.66 -0.30 0.00 -1.56 0.00 0.00 55.97 54.73 1joq s LYS 16 Cb 0.01 0.37 -0.09 0.00 -1.46 0.00 0.00 37.83 36.65 1joq s LYS 16 CO 0.06 -0.41 1.21 0.00 0.16 0.00 0.00 175.35 176.38 1joq s ALA 17 N 2.91 3.46 -0.02 3.13 0.00 -1.26 -2.17 121.76 127.81 1joq s ALA 17 Ca 0.10 1.03 -0.02 0.00 0.00 0.00 0.00 51.96 53.07 1joq s ALA 17 Cb -0.13 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 1joq s ALA 17 CO -0.16 -0.39 -0.04 -0.89 0.00 0.00 0.00 175.76 174.28 1joq n ILE 18 N 1.78 0.16 -3.08 0.00 5.41 -0.68 -4.89 119.36 118.06 1joq n ILE 18 Ca 0.02 0.46 0.00 0.00 1.00 0.00 0.00 62.75 64.23 1joq n ILE 18 Cb 0.44 -1.59 0.00 0.00 -0.71 0.00 0.00 39.64 37.77 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 -2.69 1.28 0.09 4.38 8.00 -0.66 -4.82 116.55 122.13 1joq n ASP 19 Ca -0.01 -0.44 -0.14 0.00 0.71 0.00 0.00 54.79 54.90 1joq n ASP 19 Cb 0.05 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.05 1joq n ASP 19 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1joq h GLY 20 N 0.00 0.31 -2.59 0.44 0.00 -1.83 -3.28 103.07 96.13 1joq h GLY 20 Ca 0.00 -0.71 -0.28 0.00 0.00 0.00 0.00 47.33 46.34 1joq h GLY 20 CO 0.00 0.62 0.10 2.09 0.00 0.00 0.00 176.54 179.36 1joq n ASP 21 N -3.58 2.84 -3.66 0.19 5.68 -1.26 -4.73 116.55 112.03 1joq n ASP 21 Ca -0.07 -3.75 -0.07 0.00 -0.50 0.00 0.00 54.79 50.39 1joq n ASP 21 Cb 0.96 -0.69 -0.09 0.00 -1.14 0.00 0.00 41.12 40.16 1joq n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1joq s THR 22 N -3.30 -0.43 -0.12 2.12 2.01 -1.24 -1.44 115.64 113.24 1joq s THR 22 Ca 0.48 0.09 -0.10 0.00 0.31 0.00 0.00 61.69 62.47 1joq s THR 22 Cb 0.43 -0.76 0.04 0.00 0.01 0.00 0.00 72.50 72.21 1joq s THR 22 CO 0.02 0.04 0.32 0.68 -0.69 0.00 0.00 174.62 174.99 1joq s VAL 23 N 2.16 -0.01 -0.26 3.82 -7.23 -0.70 -1.66 120.40 116.53 1joq s VAL 23 Ca -0.06 0.02 -0.21 0.00 -1.81 0.00 0.00 61.98 59.93 1joq s VAL 23 Cb -0.10 -0.45 -0.02 0.00 0.56 0.00 0.00 36.38 36.37 1joq s VAL 23 CO -0.15 0.01 0.64 -0.54 -0.31 0.00 0.00 175.10 174.75 1joq s LYS 24 N 0.40 4.09 0.41 4.82 1.02 -0.92 -1.68 119.74 127.88 1joq s LYS 24 Ca -0.02 0.55 0.04 0.00 0.02 0.00 0.00 55.97 56.57 1joq s LYS 24 Cb -0.04 -3.66 -0.05 0.00 -0.52 0.00 0.00 37.83 33.56 1joq s LYS 24 CO -0.02 -0.44 0.03 -0.51 -0.92 0.00 0.00 175.35 173.50 1joq s LEU 25 N 2.54 2.46 -0.12 3.17 1.02 -0.86 -1.65 118.68 125.25 1joq s LEU 25 Ca 0.27 -1.47 -0.04 0.00 0.02 0.00 0.00 54.13 52.90 1joq s LEU 25 Cb -0.15 -0.64 -0.04 0.00 0.02 0.00 0.00 46.19 45.38 1joq s LEU 25 CO 0.09 -0.64 0.04 -0.32 0.02 0.00 0.00 176.35 175.54 1joq s MET 26 N -3.80 3.34 -0.12 1.70 1.75 -0.33 -1.94 119.30 119.90 1joq s MET 26 Ca 0.27 -0.35 -0.01 0.00 -1.25 0.00 0.00 55.69 54.35 1joq s MET 26 Cb 0.07 -2.97 0.04 0.00 2.84 0.00 0.00 34.83 34.81 1joq s MET 26 CO 0.13 0.59 -0.02 -0.47 -0.65 0.00 0.00 175.02 174.61 1joq s TYR 27 N -0.55 1.10 -1.72 4.11 5.04 -0.37 -1.86 117.35 123.11 1joq s TYR 27 Ca 0.10 -0.60 -0.16 0.00 -2.44 0.00 0.00 57.07 53.97 1joq s TYR 27 Cb -0.12 -1.03 0.15 0.00 0.35 0.00 0.00 41.96 41.31 1joq s TYR 27 CO 0.02 -0.48 0.59 1.63 -1.34 0.00 0.00 175.55 175.98 1joq n LYS 28 N 5.04 -2.12 -2.74 4.97 5.02 -1.26 0.18 118.16 127.25 1joq n LYS 28 Ca -0.09 0.27 -0.07 0.00 -2.02 0.00 0.00 58.31 56.40 1joq n LYS 28 Cb 0.49 -4.73 0.02 0.00 -0.02 0.00 0.00 35.03 30.79 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 -1.49 0.45 2.78 0.72 0.00 -1.26 -5.03 105.19 101.36 1joq n GLY 29 Ca 0.00 -0.38 -0.16 0.00 0.00 0.00 0.00 46.02 45.48 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 -5.17 0.39 -0.48 1.61 0.74 0.13 -5.10 119.66 111.77 1joq s GLN 30 Ca 0.14 -0.22 -0.28 0.00 0.05 0.00 0.00 55.36 55.05 1joq s GLN 30 Cb -0.06 -0.61 0.00 0.00 1.10 0.00 0.00 33.01 33.44 1joq s GLN 30 CO 0.22 -1.06 1.56 -1.25 -0.55 0.00 0.00 175.29 174.21 1joq s PRO 31 N 2.24 3.28 0.37 1.67 0.04 -1.26 -1.24 135.00 140.10 1joq s PRO 31 Ca 0.11 0.81 0.04 0.00 0.04 0.00 0.00 61.00 62.00 1joq s PRO 31 Cb -0.14 -4.15 -0.06 0.00 0.04 0.00 0.00 34.50 30.19 1joq s PRO 31 CO -0.28 -1.94 0.06 1.41 0.04 0.00 0.00 177.00 176.29 1joq s MET 32 N 5.62 1.79 -0.26 4.56 1.75 -0.82 -4.96 119.30 126.98 1joq s MET 32 Ca 0.63 -2.03 -0.08 0.00 -1.25 0.00 0.00 55.69 52.96 1joq s MET 32 Cb -0.14 -1.00 -0.03 0.00 2.84 0.00 0.00 34.83 36.50 1joq s MET 32 CO 0.28 -0.23 0.10 -0.08 -0.65 0.00 0.00 175.02 174.45 1joq s THR 33 N -3.15 4.49 -0.04 10.11 -1.32 -1.26 -2.03 115.64 122.44 1joq s THR 33 Ca 0.32 -0.18 -0.03 0.00 -1.21 0.00 0.00 61.69 60.58 1joq s THR 33 Cb 0.07 -3.14 -0.04 0.00 -1.51 0.00 0.00 72.50 67.88 1joq s THR 33 CO 0.15 0.27 0.15 -0.36 -2.21 0.00 0.00 174.62 172.62 1joq s PHE 34 N 1.63 3.50 -0.09 9.09 0.40 -0.68 -1.77 117.98 130.06 1joq s PHE 34 Ca 0.06 0.37 0.03 0.00 -0.60 0.00 0.00 56.93 56.79 1joq s PHE 34 Cb -0.16 -1.84 0.01 0.00 0.51 0.00 0.00 43.02 41.54 1joq s PHE 34 CO 0.05 0.65 -0.19 0.50 0.70 0.00 0.00 175.22 176.93 1joq s ARG 35 N -1.66 2.47 0.20 0.44 6.06 -0.97 -1.71 118.95 123.78 1joq s ARG 35 Ca 0.23 -0.67 -0.32 0.00 -2.50 0.00 0.00 55.73 52.47 1joq s ARG 35 Cb -0.12 -1.95 -0.15 0.00 0.06 0.00 0.00 34.95 32.79 1joq s ARG 35 CO 0.14 0.08 1.21 1.28 -2.50 0.00 0.00 175.30 175.51 1joq n LEU 36 N 3.77 1.97 -4.87 -0.88 4.77 -0.52 -4.28 117.00 116.95 1joq n LEU 36 Ca -0.20 1.15 -0.32 0.00 -0.03 0.00 0.00 56.01 56.60 1joq n LEU 36 Cb 0.52 -1.28 -0.05 0.00 -2.33 0.00 0.00 43.42 40.28 1joq n LEU 36 CO 0.26 -1.10 0.21 -0.76 -1.33 0.00 0.00 177.39 174.68 1joq s LEU 37 N 0.49 4.17 -1.49 2.23 1.43 -1.26 -4.15 118.68 120.10 1joq s LEU 37 Ca 0.70 0.91 0.00 0.00 -1.03 0.00 0.00 54.13 54.72 1joq s LEU 37 Cb -0.78 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 41.76 1joq s LEU 37 CO 0.52 -0.07 0.00 0.18 0.23 0.00 0.00 176.35 177.21 1joq n LEU 38 N -0.15 -1.50 -3.89 1.79 4.77 -1.25 -4.99 117.00 111.78 1joq n LEU 38 Ca 0.00 0.15 -0.10 0.00 -0.03 0.00 0.00 56.01 56.03 1joq n LEU 38 Cb 0.52 -2.34 -0.10 0.00 -2.33 0.00 0.00 43.42 39.18 1joq n LEU 38 CO 0.45 -0.43 -0.19 0.68 -1.33 0.00 0.00 177.39 176.57 1joq s VAL 39 N -2.71 0.10 -0.25 4.08 -7.23 -1.21 -2.45 120.40 110.74 1joq s VAL 39 Ca 0.00 -0.86 -0.02 0.00 -1.81 0.00 0.00 61.98 59.29 1joq s VAL 39 Cb 0.00 -0.63 0.13 0.00 0.56 0.00 0.00 36.38 36.44 1joq s VAL 39 CO 0.00 -0.47 0.32 -0.62 -0.31 0.00 0.00 175.10 174.01 1joq s ASP 40 N -1.71 0.94 0.44 4.85 -1.08 -0.12 -4.74 116.67 115.25 1joq s ASP 40 Ca -0.11 -0.21 -0.22 0.00 -0.52 0.00 0.00 52.55 51.49 1joq s ASP 40 Cb -0.05 0.75 -0.09 0.00 -1.46 0.00 0.00 42.92 42.07 1joq s ASP 40 CO -0.01 -0.34 1.02 0.42 0.52 0.00 0.00 175.17 176.79 1joq s THR 41 N 2.44 3.87 0.12 1.71 -4.23 -1.26 -2.46 115.64 115.83 1joq s THR 41 Ca 0.10 1.29 0.15 0.00 -1.18 0.00 0.00 61.69 62.04 1joq s THR 41 Cb -0.15 -3.59 0.05 0.00 1.34 0.00 0.00 72.50 70.15 1joq s THR 41 CO -0.21 -0.13 1.60 1.55 -0.54 0.00 0.00 174.62 176.89 1joq h PRO 42 N 2.06 0.00 -0.23 3.99 0.13 -1.94 -3.22 132.00 132.80 1joq h PRO 42 Ca -0.49 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.53 1joq h PRO 42 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1joq h PRO 42 CO 0.61 0.53 -0.29 1.49 -0.23 0.00 0.00 178.00 180.11 1joq h GLU 43 N 0.00 0.60 -6.20 0.86 4.57 -1.90 -3.29 114.58 109.21 1joq h GLU 43 Ca -0.01 -0.34 -0.61 0.00 -1.18 0.00 0.00 59.36 57.23 1joq h GLU 43 Cb 1.14 0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.76 1joq h GLU 43 CO 0.07 0.94 1.21 0.25 -1.18 0.00 0.00 179.01 180.30 1joq n THR 44 N -4.32 0.52 -2.98 0.32 -2.24 -1.22 -4.72 114.28 99.64 1joq n THR 44 Ca -0.05 -0.18 -0.27 0.00 -2.27 0.00 0.00 64.05 61.28 1joq n THR 44 Cb 0.47 -1.99 -0.04 0.00 -2.10 0.00 0.00 70.33 66.66 1joq n THR 44 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1joq n LYS 45 N 7.25 3.17 -0.06 -0.78 0.00 -1.26 -4.65 118.16 121.84 1joq n LYS 45 Ca 0.26 -4.84 -0.14 0.00 -0.00 0.00 0.00 58.31 53.59 1joq n LYS 45 Cb 0.32 -2.23 -0.12 0.00 -0.00 0.00 0.00 35.03 32.99 1joq n LYS 45 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1joq h HIS 46 N 3.07 0.02 -2.87 5.58 3.86 -1.96 -3.45 115.15 119.40 1joq h HIS 46 Ca 0.13 -0.01 -0.46 0.00 -1.16 0.00 0.00 60.37 58.87 1joq h HIS 46 Cb 0.52 -0.00 0.13 0.00 1.06 0.00 0.00 27.41 29.11 1joq h HIS 46 CO 0.83 0.91 0.26 -1.25 0.86 0.00 0.00 177.93 179.54 1joq s PRO 47 N -2.64 1.00 0.00 2.45 0.04 -1.26 -4.94 135.00 129.65 1joq s PRO 47 Ca -0.18 -0.89 0.12 0.00 0.04 0.00 0.00 61.00 60.08 1joq s PRO 47 Cb -0.02 -2.09 0.54 0.00 0.04 0.00 0.00 34.50 32.97 1joq s PRO 47 CO 0.69 -2.03 1.34 1.63 0.04 0.00 0.00 177.00 178.67 1joq n LYS 48 N -3.34 0.07 0.03 4.56 5.02 -1.26 -3.52 118.16 119.72 1joq n LYS 48 Ca 0.17 0.25 -0.07 0.00 -2.02 0.00 0.00 58.31 56.63 1joq n LYS 48 Cb 0.60 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 34.06 1joq n LYS 48 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1joq h LYS 49 N 0.00 -0.31 0.00 1.97 1.79 -1.94 -3.48 116.57 114.60 1joq h LYS 49 Ca 0.00 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1joq h LYS 49 Cb 0.16 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1joq h LYS 49 CO 0.00 -0.21 0.00 0.41 -1.08 0.00 0.00 179.45 178.57 1joq n GLY 50 N -1.21 -1.14 3.65 3.86 0.00 -1.23 -4.80 105.19 104.32 1joq n GLY 50 Ca -0.04 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 1joq n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1joq s VAL 51 N -1.41 4.84 0.01 1.61 1.01 -1.24 -4.89 120.40 120.34 1joq s VAL 51 Ca 0.00 1.59 -0.02 0.00 0.00 0.00 0.00 61.98 63.54 1joq s VAL 51 Cb 0.00 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 1joq s VAL 51 CO 0.00 -0.06 1.04 -0.33 0.00 0.00 0.00 175.10 175.75 1joq h GLU 52 N 7.61 -0.05 0.00 2.72 4.39 -1.87 -3.44 114.58 123.93 1joq h GLU 52 Ca -0.24 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 1joq h GLU 52 Cb 1.10 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 1joq h GLU 52 CO 0.87 -0.04 -0.02 0.36 -1.16 0.00 0.00 179.01 179.02 1joq n LYS 53 N -2.61 0.02 -0.10 2.33 2.85 -1.26 -4.98 118.16 114.42 1joq n LYS 53 Ca -0.01 -0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 1joq n LYS 53 Cb 0.03 0.36 0.01 0.00 -0.65 0.00 0.00 35.03 34.78 1joq n LYS 53 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 1joq n TYR 54 N -0.03 0.00 -1.29 5.58 4.19 -1.26 -5.04 117.16 119.30 1joq n TYR 54 Ca -0.02 -0.10 -0.27 0.00 3.31 0.00 0.00 57.90 60.82 1joq n TYR 54 Cb 0.35 -0.02 -0.16 0.00 0.49 0.00 0.00 39.34 39.99 1joq n TYR 54 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1joq n GLY 55 N -0.12 -0.43 0.00 2.98 0.00 -1.26 -4.84 105.19 101.52 1joq n GLY 55 Ca 0.01 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1joq n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1joq n PRO 56 N 6.05 2.28 -2.45 1.61 -0.04 -1.26 -4.97 135.00 136.21 1joq n PRO 56 Ca 0.58 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.73 1joq n PRO 56 Cb 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.54 1joq n PRO 56 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1joq n GLU 57 N 0.00 3.41 -0.07 0.54 1.02 -1.26 -4.83 120.64 119.45 1joq n GLU 57 Ca 0.00 -4.36 -0.07 0.00 -0.02 0.00 0.00 57.16 52.71 1joq n GLU 57 Cb 0.00 -2.27 -0.01 0.00 -0.02 0.00 0.00 31.44 29.14 1joq n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1joq h ALA 58 N 2.89 0.18 -0.88 0.62 0.00 -1.96 -1.05 119.26 119.06 1joq h ALA 58 Ca 0.35 0.11 0.23 0.00 0.00 0.00 0.00 54.91 55.60 1joq h ALA 58 Cb 0.58 0.21 -0.15 0.00 0.00 0.00 0.00 17.79 18.43 1joq h ALA 58 CO 1.01 -0.47 0.11 0.77 0.00 0.00 0.00 179.25 180.68 1joq h SER 59 N -0.00 -0.23 -0.74 0.00 0.02 -1.88 0.82 113.55 111.54 1joq h SER 59 Ca 0.13 0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 61.28 1joq h SER 59 Cb 0.20 0.35 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 1joq h SER 59 CO -0.28 -0.23 0.36 0.00 -1.14 0.00 0.00 176.83 175.54 1joq h ALA 60 N 1.82 0.95 0.11 3.77 0.00 -1.56 0.65 119.26 125.00 1joq h ALA 60 Ca 0.53 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.31 1joq h ALA 60 Cb 1.06 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1joq h ALA 60 CO -0.74 0.50 -0.39 0.35 0.00 0.00 0.00 179.25 178.97 1joq h PHE 61 N 1.03 -1.13 0.00 0.00 3.57 0.12 0.74 116.94 121.27 1joq h PHE 61 Ca 0.25 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1joq h PHE 61 Cb 0.10 0.48 0.00 0.00 2.79 0.00 0.00 35.95 39.32 1joq h PHE 61 CO 0.01 -0.45 0.00 1.15 -2.23 0.00 0.00 178.31 176.79 1joq h THR 62 N -0.57 0.00 0.17 4.41 2.02 -1.32 -1.76 112.91 115.86 1joq h THR 62 Ca -0.01 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1joq h THR 62 Cb 0.57 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1joq h THR 62 CO -0.20 0.00 -0.08 0.50 0.37 0.00 0.00 175.52 176.11 1joq h LYS 63 N 0.00 -0.21 0.00 6.66 3.11 0.15 -2.28 116.57 124.00 1joq h LYS 63 Ca 0.00 0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.83 1joq h LYS 63 Cb 0.26 0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.54 1joq h LYS 63 CO 0.00 -0.14 -0.10 0.87 -2.81 0.00 0.00 179.45 177.27 1joq h LYS 64 N -0.24 0.00 0.00 1.90 1.57 -1.40 -1.89 116.57 116.50 1joq h LYS 64 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1joq h LYS 64 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1joq h LYS 64 CO 0.04 0.10 0.00 -0.12 -0.57 0.00 0.00 179.45 178.89 1joq n MET 65 N -3.30 0.00 0.22 3.15 1.56 -0.66 -1.44 117.12 116.64 1joq n MET 65 Ca -0.00 0.41 0.05 0.00 -0.27 0.00 0.00 57.70 57.89 1joq n MET 65 Cb 0.31 -1.37 0.51 0.00 2.15 0.00 0.00 33.22 34.81 1joq n MET 65 CO 0.00 0.00 0.00 -0.39 -0.73 0.00 0.00 175.97 174.85 1joq h VAL 66 N 0.00 1.12 -0.74 1.12 -1.51 -1.48 0.89 116.25 115.66 1joq h VAL 66 Ca 0.00 -0.58 -0.01 0.00 -1.23 0.00 0.00 66.70 64.89 1joq h VAL 66 Cb 0.00 1.29 -0.04 0.00 -2.13 0.00 0.00 31.29 30.42 1joq h VAL 66 CO 0.00 0.17 0.44 -0.33 -1.23 0.00 0.00 177.57 176.61 1joq h GLU 67 N 0.02 1.00 0.00 5.19 5.08 -1.32 -2.05 114.58 122.50 1joq h GLU 67 Ca 0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1joq h GLU 67 Cb 0.29 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1joq h GLU 67 CO 0.02 0.71 -0.90 0.09 -1.00 0.00 0.00 179.01 177.93 1joq n ASN 68 N -4.38 0.67 -4.60 1.42 3.02 -0.52 -4.88 115.26 105.99 1joq n ASN 68 Ca 0.08 -0.43 -0.45 0.00 -0.03 0.00 0.00 54.58 53.75 1joq n ASN 68 Cb 0.07 0.73 -0.04 0.00 -0.61 0.00 0.00 39.78 39.93 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 -1.66 1.54 0.30 5.41 0.00 0.25 -4.79 120.51 121.56 1joq n ALA 69 Ca 0.03 -0.07 0.18 0.00 0.00 0.00 0.00 53.44 53.58 1joq n ALA 69 Cb 0.38 -2.78 0.90 0.00 0.00 0.00 0.00 19.45 17.96 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 13.16 0.00 -2.71 0.00 1.57 -1.90 -3.41 116.57 123.29 1joq h LYS 70 Ca -0.42 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.21 1joq h LYS 70 Cb 1.26 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.27 1joq h LYS 70 CO 0.96 0.03 -0.43 0.15 -0.57 0.00 0.00 179.45 179.60 1joq s LYS 71 N -3.99 0.26 -0.24 3.15 -0.14 -1.26 -5.00 119.74 112.51 1joq s LYS 71 Ca -0.02 0.84 -0.08 0.00 -1.36 0.00 0.00 55.97 55.35 1joq s LYS 71 Cb 0.12 0.10 -0.03 0.00 -1.68 0.00 0.00 37.83 36.33 1joq s LYS 71 CO 0.50 -0.24 0.09 0.42 -0.76 0.00 0.00 175.35 175.36 1joq s ILE 72 N 2.19 4.52 0.39 2.17 1.01 -1.26 -3.37 121.20 126.85 1joq s ILE 72 Ca -0.03 -0.10 0.08 0.00 0.00 0.00 0.00 60.65 60.60 1joq s ILE 72 Cb -0.11 -3.11 -0.07 0.00 0.01 0.00 0.00 42.46 39.18 1joq s ILE 72 CO -0.11 0.34 -0.01 -1.61 0.00 0.00 0.00 174.94 173.56 1joq s GLU 73 N 1.45 1.94 -0.00 2.79 2.02 -1.05 -1.73 118.70 124.13 1joq s GLU 73 Ca 0.06 -2.03 0.00 0.00 0.02 0.00 0.00 54.97 53.02 1joq s GLU 73 Cb -0.15 -1.69 0.00 0.00 0.10 0.00 0.00 34.13 32.39 1joq s GLU 73 CO 0.04 0.00 -0.00 0.14 0.02 0.00 0.00 175.26 175.46 1joq s VAL 74 N -2.67 0.05 -0.29 2.63 -7.23 -0.45 -2.36 120.40 110.09 1joq s VAL 74 Ca 0.35 -0.01 0.01 0.00 -1.81 0.00 0.00 61.98 60.52 1joq s VAL 74 Cb 0.07 -0.06 0.08 0.00 0.56 0.00 0.00 36.38 37.03 1joq s VAL 74 CO 0.18 0.02 0.02 -0.70 -0.31 0.00 0.00 175.10 174.31 1joq s GLU 75 N 0.07 1.31 0.35 4.82 2.12 -0.73 -2.39 118.70 124.27 1joq s GLU 75 Ca -0.01 -1.28 -0.27 0.00 0.36 0.00 0.00 54.97 53.78 1joq s GLU 75 Cb -0.01 -2.60 -0.09 0.00 0.26 0.00 0.00 34.13 31.68 1joq s GLU 75 CO -0.00 -0.81 1.17 -0.06 -0.54 0.00 0.00 175.26 175.01 1joq s PHE 76 N 1.31 3.21 0.00 5.30 0.08 -1.26 -1.74 117.98 124.89 1joq s PHE 76 Ca 0.04 1.57 0.00 0.00 0.12 0.00 0.00 56.93 58.66 1joq s PHE 76 Cb -0.18 -3.40 0.00 0.00 -0.57 0.00 0.00 43.02 38.86 1joq s PHE 76 CO -0.12 -1.17 0.00 -3.47 -0.10 0.00 0.00 175.22 170.36 1joq n ASP 77 N 0.50 0.00 0.08 1.36 -0.08 -1.26 -4.74 116.55 112.40 1joq n ASP 77 Ca 0.02 -0.98 0.12 0.00 -1.51 0.00 0.00 54.79 52.44 1joq n ASP 77 Cb 0.45 0.00 0.09 0.00 2.34 0.00 0.00 41.12 44.00 1joq n ASP 77 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1joq h LYS 78 N 0.00 0.00 0.00 -0.67 2.10 -1.96 -3.46 116.57 112.58 1joq h LYS 78 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1joq h LYS 78 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1joq h LYS 78 CO 0.00 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.86 1joq n GLY 79 N 1.28 -1.17 3.53 0.07 0.00 -1.25 -4.98 105.19 102.66 1joq n GLY 79 Ca 0.02 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.25 -0.02 1.61 -0.21 -1.26 -4.97 119.66 113.56 1joq s GLN 80 Ca 0.00 0.20 0.14 0.00 0.02 0.00 0.00 55.36 55.72 1joq s GLN 80 Cb 0.00 -1.57 -0.21 0.00 1.00 0.00 0.00 33.01 32.24 1joq s GLN 80 CO 0.00 -3.79 0.32 -2.13 -2.12 0.00 0.00 175.29 167.57 1joq n ARG 81 N -4.86 0.59 -4.15 2.91 0.63 -1.26 -4.69 116.66 105.83 1joq n ARG 81 Ca 0.10 -0.11 -0.13 0.00 -0.92 0.00 0.00 57.85 56.79 1joq n ARG 81 Cb 0.58 -1.31 -0.08 0.00 0.45 0.00 0.00 32.46 32.11 1joq n ARG 81 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1joq s THR 82 N -2.89 0.00 0.00 5.15 -4.23 -1.26 -2.36 115.64 110.05 1joq s THR 82 Ca -0.04 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 1joq s THR 82 Cb 0.09 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.47 1joq s THR 82 CO 0.56 0.00 0.00 0.47 -0.54 0.00 0.00 174.62 175.11 1joq n ASP 83 N -0.66 0.01 0.03 3.99 8.00 -0.80 -4.89 116.55 122.23 1joq n ASP 83 Ca 0.02 -0.99 0.07 0.00 0.71 0.00 0.00 54.79 54.60 1joq n ASP 83 Cb 0.64 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 42.06 1joq n ASP 83 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1joq n LYS 84 N -0.98 0.04 0.00 -1.24 2.85 -1.26 -1.56 118.16 116.01 1joq n LYS 84 Ca 0.00 0.31 0.11 0.00 -1.05 0.00 0.00 58.31 57.68 1joq n LYS 84 Cb 0.00 -1.57 0.04 0.00 -0.65 0.00 0.00 35.03 32.84 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 -1.64 0.00 -0.51 5.58 4.01 -1.26 -4.93 117.16 118.40 1joq n TYR 85 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1joq n TYR 85 Cb 0.17 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 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 1.43 0.75 3.76 2.72 0.00 -0.60 -5.03 105.19 108.22 1joq n GLY 86 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.49 3.42 -0.08 1.61 0.52 -1.26 -4.64 118.95 118.02 1joq s ARG 87 Ca 0.00 2.03 -0.24 0.00 -0.52 0.00 0.00 55.73 57.00 1joq s ARG 87 Cb 0.00 -2.33 -0.03 0.00 0.52 0.00 0.00 34.95 33.11 1joq s ARG 87 CO 0.00 -0.90 0.73 0.20 0.02 0.00 0.00 175.30 175.35 1joq s GLY 88 N -1.13 2.54 -0.23 -3.53 0.00 -0.73 -1.90 107.32 102.34 1joq s GLY 88 Ca 0.68 0.12 -0.07 0.00 0.00 0.00 0.00 44.72 45.45 1joq s GLY 88 CO 0.42 1.28 0.05 1.08 0.00 0.00 0.00 173.10 175.93 1joq s LEU 89 N 1.05 3.42 -0.26 0.66 1.43 -0.99 -2.29 118.68 121.70 1joq s LEU 89 Ca 0.38 -0.18 -0.26 0.00 -1.03 0.00 0.00 54.13 53.04 1joq s LEU 89 Cb -0.18 -1.90 0.14 0.00 0.03 0.00 0.00 46.19 44.28 1joq s LEU 89 CO 0.18 0.02 1.10 0.00 0.23 0.00 0.00 176.35 177.87 1joq s ALA 90 N 1.30 -2.01 -0.14 4.21 0.00 -1.26 -4.27 121.76 119.59 1joq s ALA 90 Ca 0.05 1.78 -0.29 0.00 0.00 0.00 0.00 51.96 53.49 1joq s ALA 90 Cb -0.15 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 1joq s ALA 90 CO 0.03 -0.23 1.47 0.71 0.00 0.00 0.00 175.76 177.73 1joq s TYR 91 N -0.16 2.39 0.36 0.00 2.02 -0.71 -4.56 117.35 116.69 1joq s TYR 91 Ca 0.03 0.62 -0.14 0.00 -0.37 0.00 0.00 57.07 57.21 1joq s TYR 91 Cb -0.04 -3.76 -0.08 0.00 -0.40 0.00 0.00 41.96 37.68 1joq s TYR 91 CO -0.06 -2.69 0.77 0.42 -1.57 0.00 0.00 175.55 172.42 1joq s ILE 92 N 4.04 4.68 0.18 2.71 1.01 -1.26 -1.77 121.20 130.78 1joq s ILE 92 Ca 0.64 0.92 0.02 0.00 0.00 0.00 0.00 60.65 62.23 1joq s ILE 92 Cb -0.26 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 1joq s ILE 92 CO 0.23 -0.29 0.02 -0.31 0.00 0.00 0.00 174.94 174.59 1joq s TYR 93 N -2.11 1.23 -0.27 3.97 1.51 -0.99 -1.93 117.35 118.75 1joq s TYR 93 Ca 0.54 -1.06 -0.07 0.00 -1.01 0.00 0.00 57.07 55.47 1joq s TYR 93 Cb -0.10 -0.70 0.13 0.00 -0.11 0.00 0.00 41.96 41.18 1joq s TYR 93 CO 0.21 -0.25 0.58 0.00 -1.11 0.00 0.00 175.55 174.97 1joq s ALA 94 N -3.70 -1.83 -0.91 3.71 0.00 -0.34 -2.52 121.76 116.17 1joq s ALA 94 Ca 0.26 2.00 0.00 0.00 0.00 0.00 0.00 51.96 54.22 1joq s ALA 94 Cb 0.06 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.45 1joq s ALA 94 CO 0.05 -0.97 0.00 -0.25 0.00 0.00 0.00 175.76 174.59 1joq n ASP 95 N 5.43 -5.30 0.00 0.00 8.00 -1.22 -1.41 116.55 122.06 1joq n ASP 95 Ca -0.09 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1joq n ASP 95 Cb 0.49 -3.55 0.00 0.00 -0.02 0.00 0.00 41.12 38.04 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 -0.25 1.21 3.20 0.44 0.00 -1.26 -5.08 105.19 103.45 1joq n GLY 96 Ca -0.09 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.56 1.98 -0.51 1.61 2.47 -0.50 -5.09 119.74 118.14 1joq s LYS 97 Ca 0.00 -0.73 -0.29 0.00 -1.56 0.00 0.00 55.97 53.39 1joq s LYS 97 Cb 0.00 -1.75 0.03 0.00 -1.46 0.00 0.00 37.83 34.65 1joq s LYS 97 CO 0.00 0.34 1.15 1.41 0.16 0.00 0.00 175.35 178.41 1joq s MET 98 N -0.17 3.65 0.27 4.03 -2.45 -1.26 -1.20 119.30 122.16 1joq s MET 98 Ca -0.00 0.45 -0.01 0.00 -1.25 0.00 0.00 55.69 54.87 1joq s MET 98 Cb -0.11 -3.94 0.50 0.00 1.25 0.00 0.00 34.83 32.52 1joq s MET 98 CO 0.02 -1.48 1.82 0.28 1.05 0.00 0.00 175.02 176.71 1joq h VAL 99 N 6.21 0.90 0.01 10.11 2.07 -1.73 0.67 116.25 134.49 1joq h VAL 99 Ca -0.24 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.00 1joq h VAL 99 Cb 1.06 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1joq h VAL 99 CO 1.14 0.16 -0.14 0.78 0.02 0.00 0.00 177.57 179.54 1joq h ASN 100 N 0.90 -0.41 0.85 0.57 4.21 -1.90 -0.32 115.58 119.47 1joq h ASN 100 Ca 0.46 0.06 0.00 0.00 1.21 0.00 0.00 56.30 58.03 1joq h ASN 100 Cb 0.46 0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.83 1joq h ASN 100 CO -0.27 -0.20 0.00 -0.08 -1.29 0.00 0.00 177.43 175.59 1joq h GLU 101 N -0.24 0.00 0.40 0.81 4.81 -1.73 -2.75 114.58 115.88 1joq h GLU 101 Ca 0.04 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1joq h GLU 101 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1joq h GLU 101 CO -0.13 0.00 -0.19 0.00 -0.73 0.00 0.00 179.01 177.96 1joq h ALA 102 N 2.13 -0.54 -0.58 2.92 0.00 0.86 0.21 119.26 124.26 1joq h ALA 102 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1joq h ALA 102 Cb 0.43 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1joq h ALA 102 CO 0.00 -0.59 0.29 -0.07 0.00 0.00 0.00 179.25 178.87 1joq h LEU 103 N -0.97 0.75 -1.66 0.00 3.38 -1.39 -1.21 115.31 114.21 1joq h LEU 103 Ca -0.06 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1joq h LEU 103 Cb 0.55 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1joq h LEU 103 CO 0.09 0.66 -0.13 0.58 0.09 0.00 0.00 178.44 179.73 1joq h VAL 104 N 0.78 0.45 0.00 1.22 2.07 -1.52 -1.84 116.25 117.41 1joq h VAL 104 Ca 0.20 -0.69 -0.12 0.00 0.82 0.00 0.00 66.70 66.91 1joq h VAL 104 Cb 0.10 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1joq h VAL 104 CO -0.03 0.13 -0.58 -0.09 0.02 0.00 0.00 177.57 177.03 1joq h ARG 105 N 0.00 0.00 -0.36 1.57 2.43 0.59 -2.99 114.38 115.61 1joq h ARG 105 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1joq h ARG 105 Cb 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1joq h ARG 105 CO 0.02 0.58 0.00 1.04 -1.51 0.00 0.00 179.97 180.09 1joq n GLN 106 N -3.38 2.13 -3.17 0.20 3.00 -0.75 -4.67 117.38 110.75 1joq n GLN 106 Ca 0.01 -1.73 -0.14 0.00 -0.01 0.00 0.00 57.00 55.12 1joq n GLN 106 Cb 0.70 -1.43 0.07 0.00 0.00 0.00 0.00 30.24 29.58 1joq n GLN 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1joq n GLY 107 N 1.31 -0.43 0.43 1.08 0.00 -0.99 -4.64 105.19 101.94 1joq n GLY 107 Ca 0.17 0.15 -0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -3.49 1.72 -4.68 0.99 4.77 -0.80 -3.52 117.00 111.98 1joq n LEU 108 Ca -0.20 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.45 1joq n LEU 108 Cb 0.63 -0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.63 1joq n LEU 108 CO 0.52 0.29 -0.32 0.00 -1.33 0.00 0.00 177.39 176.55 1joq s ALA 109 N -2.00 3.27 -0.10 -1.18 0.00 -1.24 -4.44 121.76 116.07 1joq s ALA 109 Ca -0.00 -0.89 -0.10 0.00 0.00 0.00 0.00 51.96 50.97 1joq s ALA 109 Cb 0.00 -1.39 -0.05 0.00 0.00 0.00 0.00 23.12 21.68 1joq s ALA 109 CO 0.00 0.62 0.23 0.15 0.00 0.00 0.00 175.76 176.76 1joq s LYS 110 N -1.26 3.74 0.46 0.00 1.02 -1.03 -4.46 119.74 118.22 1joq s LYS 110 Ca 0.17 0.03 -0.24 0.00 0.02 0.00 0.00 55.97 55.95 1joq s LYS 110 Cb -0.11 -3.25 -0.07 0.00 -0.52 0.00 0.00 37.83 33.87 1joq s LYS 110 CO 0.07 0.64 1.35 0.08 -0.92 0.00 0.00 175.35 176.57 1joq s VAL 111 N -0.71 2.32 -0.49 3.17 1.01 -1.26 -0.95 120.40 123.49 1joq s VAL 111 Ca 0.17 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1joq s VAL 111 Cb -0.13 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1joq s VAL 111 CO 0.06 0.02 0.00 0.00 0.00 0.00 0.00 175.10 175.18 1joq n ALA 112 N -0.35 0.00 -3.00 5.51 0.00 -1.03 -4.80 120.51 116.85 1joq n ALA 112 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.44 1joq n ALA 112 Cb 0.44 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.89 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 0.58 -3.19 -3.99 0.00 4.01 -1.26 -3.29 117.16 110.02 1joq n TYR 113 Ca 0.00 1.26 -0.33 0.00 -0.16 0.00 0.00 57.90 58.67 1joq n TYR 113 Cb 0.00 -3.96 -0.14 0.00 -0.31 0.00 0.00 39.34 34.92 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 -2.75 2.57 -0.40 -0.72 1.01 -1.26 -3.97 120.40 114.88 1joq s VAL 114 Ca 0.14 -1.57 0.01 0.00 0.00 0.00 0.00 61.98 60.56 1joq s VAL 114 Cb -0.04 -2.52 0.14 0.00 0.00 0.00 0.00 36.38 33.96 1joq s VAL 114 CO 0.77 -0.11 0.24 -0.31 0.00 0.00 0.00 175.10 175.69 1joq s TYR 115 N 1.16 1.36 0.74 5.22 1.51 -1.26 -5.07 117.35 121.01 1joq s TYR 115 Ca -0.06 -2.08 -0.17 0.00 -1.01 0.00 0.00 57.07 53.76 1joq s TYR 115 Cb -0.20 -1.37 -0.09 0.00 -0.11 0.00 0.00 41.96 40.19 1joq s TYR 115 CO -0.03 -0.80 0.05 1.63 -1.11 0.00 0.00 175.55 175.29 1joq n LYS 116 N 3.65 0.12 -0.58 -0.62 5.02 -1.26 -1.75 118.16 122.74 1joq n LYS 116 Ca 0.13 0.06 -0.11 0.00 -2.02 0.00 0.00 58.31 56.37 1joq n LYS 116 Cb 0.37 -1.42 0.06 0.00 -0.02 0.00 0.00 35.03 34.02 1joq n LYS 116 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1joq n PRO 117 N 0.53 1.54 -3.01 1.97 -0.04 -1.26 -5.00 135.00 129.74 1joq n PRO 117 Ca 0.07 -1.22 -0.44 0.00 -0.04 0.00 0.00 63.50 61.87 1joq n PRO 117 Cb 0.51 -1.48 0.01 0.00 -0.04 0.00 0.00 33.50 32.49 1joq n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1joq n ASN 118 N 0.04 5.99 -0.71 3.54 4.13 -0.72 -3.93 115.26 123.61 1joq n ASN 118 Ca 0.24 -3.26 -0.04 0.00 1.68 0.00 0.00 54.58 53.20 1joq n ASN 118 Cb 0.85 -1.34 -0.04 0.00 -1.54 0.00 0.00 39.78 37.72 1joq n ASN 118 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1joq n ASN 119 N 2.18 -0.51 -0.32 6.41 6.94 -1.26 -4.25 115.26 124.44 1joq n ASN 119 Ca 0.28 -1.26 0.21 0.00 -0.02 0.00 0.00 54.58 53.78 1joq n ASN 119 Cb 0.35 0.15 0.40 0.00 -2.36 0.00 0.00 39.78 38.33 1joq n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 1joq h THR 120 N 3.78 0.12 -2.14 5.53 2.02 -2.01 0.15 112.91 120.36 1joq h THR 120 Ca -0.29 -0.03 -0.79 0.00 0.77 0.00 0.00 66.41 66.06 1joq h THR 120 Cb 1.05 0.02 -0.27 0.00 -1.74 0.00 0.00 68.15 67.21 1joq h THR 120 CO -0.15 0.02 1.07 1.41 0.37 0.00 0.00 175.52 178.24 1joq n HIS 121 N -5.30 2.82 0.00 3.16 8.25 -1.26 -4.58 115.22 118.31 1joq n HIS 121 Ca 0.28 -2.49 -0.12 0.00 -0.26 0.00 0.00 57.72 55.13 1joq n HIS 121 Cb 0.93 -1.21 -0.14 0.00 1.12 0.00 0.00 29.99 30.69 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 3.84 0.09 0.18 -0.41 4.57 -1.10 -3.13 114.58 118.63 1joq h GLU 122 Ca 0.55 -0.16 -0.30 0.00 -1.18 0.00 0.00 59.36 58.27 1joq h GLU 122 Cb 0.23 0.06 0.02 0.00 -0.16 0.00 0.00 28.75 28.90 1joq h GLU 122 CO 1.26 0.78 -1.34 1.96 -1.18 0.00 0.00 179.01 180.49 1joq h GLN 123 N 0.03 0.39 -0.28 1.92 4.20 -1.83 -2.32 115.11 117.22 1joq h GLN 123 Ca -0.29 -0.66 -0.07 0.00 0.06 0.00 0.00 58.65 57.70 1joq h GLN 123 Cb 2.00 0.24 -0.01 0.00 0.30 0.00 0.00 27.48 30.02 1joq h GLN 123 CO 0.10 1.31 -0.09 1.25 -0.67 0.00 0.00 178.83 180.73 1joq h LEU 124 N 0.11 0.55 -0.21 1.46 5.85 -1.90 -1.54 115.31 119.63 1joq h LEU 124 Ca -0.18 -0.38 -0.04 0.00 0.84 0.00 0.00 57.88 58.12 1joq h LEU 124 Cb 2.05 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.93 1joq h LEU 124 CO 0.23 0.81 -0.03 -0.07 -0.34 0.00 0.00 178.44 179.04 1joq h LEU 125 N 0.29 0.39 -1.68 2.25 3.38 -1.64 -2.56 115.31 115.75 1joq h LEU 125 Ca 0.07 -0.34 0.07 0.00 0.09 0.00 0.00 57.88 57.77 1joq h LEU 125 Cb 0.58 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1joq h LEU 125 CO 0.03 0.64 0.34 -0.09 0.09 0.00 0.00 178.44 179.45 1joq h ARG 126 N 0.13 0.38 0.38 1.13 1.12 -1.39 -1.32 114.38 114.81 1joq h ARG 126 Ca 0.06 -0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 58.89 1joq h ARG 126 Cb 0.45 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.33 1joq h ARG 126 CO 0.02 0.25 -0.18 -0.22 -3.11 0.00 0.00 179.97 176.72 1joq h LYS 127 N 0.39 -0.49 -0.12 0.20 1.63 -0.88 -1.54 116.57 115.76 1joq h LYS 127 Ca 0.22 0.03 0.03 0.00 -0.85 0.00 0.00 60.65 60.09 1joq h LYS 127 Cb 0.39 0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.12 1joq h LYS 127 CO -0.06 -0.24 0.09 0.66 -3.45 0.00 0.00 179.45 176.46 1joq h SER 128 N -0.66 0.00 -0.01 4.20 4.64 -1.09 -0.23 113.55 120.41 1joq h SER 128 Ca -0.05 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.13 1joq h SER 128 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1joq h SER 128 CO 0.08 0.00 -0.46 -0.08 -0.87 0.00 0.00 176.83 175.51 1joq h GLU 129 N 0.00 0.55 -0.28 4.77 4.81 -0.69 -1.92 114.58 121.83 1joq h GLU 129 Ca 0.05 -0.30 -0.12 0.00 -0.13 0.00 0.00 59.36 58.86 1joq h GLU 129 Cb 0.24 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1joq h GLU 129 CO -0.00 0.90 -0.34 0.00 -0.73 0.00 0.00 179.01 178.84 1joq h ALA 130 N 1.06 0.89 -0.34 2.92 0.00 -0.06 -1.78 119.26 121.95 1joq h ALA 130 Ca 0.03 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.37 1joq h ALA 130 Cb 0.97 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1joq h ALA 130 CO 0.09 0.63 -0.41 0.37 0.00 0.00 0.00 179.25 179.92 1joq h GLN 131 N 0.51 0.85 0.00 0.00 4.15 -1.27 -2.17 115.11 117.19 1joq h GLN 131 Ca 0.06 -0.46 -0.03 0.00 0.77 0.00 0.00 58.65 58.99 1joq h GLN 131 Cb 0.83 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.53 1joq h GLN 131 CO 0.07 1.10 -0.14 0.00 -1.93 0.00 0.00 178.83 177.93 1joq h ALA 132 N 0.84 1.04 0.09 3.38 0.00 -1.18 -1.69 119.26 121.72 1joq h ALA 132 Ca 0.05 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 1joq h ALA 132 Cb 0.99 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.78 1joq h ALA 132 CO 0.10 0.18 -0.80 0.87 0.00 0.00 0.00 179.25 179.60 1joq h LYS 133 N 0.00 0.39 -0.05 0.00 1.57 -0.98 -2.44 116.57 115.05 1joq h LYS 133 Ca -0.00 -0.53 -0.12 0.00 -1.87 0.00 0.00 60.65 58.13 1joq h LYS 133 Cb 0.64 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1joq h LYS 133 CO 0.02 1.21 -0.51 1.57 -0.57 0.00 0.00 179.45 181.17 1joq h LYS 134 N -0.18 0.14 0.00 3.15 2.10 -1.29 -2.46 116.57 118.04 1joq h LYS 134 Ca -0.12 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 1joq h LYS 134 Cb 1.56 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.89 1joq h LYS 134 CO 0.15 0.62 0.00 0.93 -2.00 0.00 0.00 179.45 179.15 1joq h GLU 135 N 0.11 0.00 -5.87 0.07 4.39 -1.36 -3.47 114.58 108.44 1joq h GLU 135 Ca 0.00 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.39 1joq h GLU 135 Cb 0.94 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 29.70 1joq h GLU 135 CO 0.07 0.00 -0.80 1.63 -1.16 0.00 0.00 179.01 178.75 1joq n LYS 136 N -2.70 -1.61 -3.60 2.33 5.02 -0.92 -4.94 118.16 111.74 1joq n LYS 136 Ca 0.04 0.75 -0.40 0.00 -2.02 0.00 0.00 58.31 56.68 1joq n LYS 136 Cb 0.42 -4.84 -0.11 0.00 -0.02 0.00 0.00 35.03 30.48 1joq n LYS 136 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1joq s LEU 137 N -5.70 4.52 0.00 -0.35 0.20 -1.20 -4.49 118.68 111.65 1joq s LEU 137 Ca 0.39 -0.78 0.00 0.00 0.69 0.00 0.00 54.13 54.43 1joq s LEU 137 Cb -0.10 -2.03 0.00 0.00 -0.43 0.00 0.00 46.19 43.62 1joq s LEU 137 CO 0.81 -0.31 0.00 0.59 -0.29 0.00 0.00 176.35 177.14 1joq n ASN 138 N 5.01 0.00 -0.44 3.68 3.02 -1.26 -3.20 115.26 122.07 1joq n ASN 138 Ca -0.12 0.00 0.37 0.00 -0.03 0.00 0.00 54.58 54.79 1joq n ASN 138 Cb 0.47 0.00 0.61 0.00 -0.61 0.00 0.00 39.78 40.25 1joq n ASN 138 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1joq n ILE 139 N 0.00 -0.18 -1.05 2.41 5.41 -1.23 0.38 119.36 125.10 1joq n ILE 139 Ca 0.00 1.52 -0.16 0.00 1.00 0.00 0.00 62.75 65.11 1joq n ILE 139 Cb 0.00 -2.50 -0.05 0.00 -0.71 0.00 0.00 39.64 36.38 1joq n ILE 139 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.55 177.34 1joq n TRP 140 N -4.31 0.96 -1.01 1.39 7.02 -1.19 -4.35 117.44 115.95 1joq n TRP 140 Ca 0.36 -1.70 -0.10 0.00 -1.02 0.00 0.00 57.50 55.04 1joq n TRP 140 Cb 1.42 -1.17 0.27 0.00 -2.42 0.00 0.00 31.31 29.41 1joq n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1joq n SER 141 N 1.20 4.57 -3.65 -0.99 3.41 0.16 -3.68 113.62 114.64 1joq n SER 141 Ca 0.34 -3.26 -0.30 0.00 -0.26 0.00 0.00 58.87 55.39 1joq n SER 141 Cb 0.64 -0.76 0.25 0.00 -0.26 0.00 0.00 64.21 64.07 1joq n SER 141 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1joq s GLU 142 N -2.97 -1.46 -0.95 4.33 0.41 -1.26 -4.95 118.70 111.85 1joq s GLU 142 Ca 0.54 -0.20 -0.01 0.00 -0.41 0.00 0.00 54.97 54.89 1joq s GLU 142 Cb 0.44 -1.58 0.29 0.00 -1.78 0.00 0.00 34.13 31.50 1joq s GLU 142 CO 0.13 -3.84 1.29 -3.47 -0.49 0.00 0.00 175.26 168.88 1joq n ASP 143 N -4.83 5.73 -4.56 -0.19 2.03 -1.26 -4.98 116.55 108.49 1joq n ASP 143 Ca 0.15 -3.44 -0.26 0.00 0.52 0.00 0.00 54.79 51.76 1joq n ASP 143 Cb 0.60 -1.09 -0.05 0.00 -0.72 0.00 0.00 41.12 39.85 1joq n ASP 143 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1joq s ASN 144 N -2.01 4.99 0.01 1.67 -0.87 -1.26 -4.61 114.94 112.86 1joq s ASN 144 Ca 0.34 -0.50 -0.06 0.00 -1.57 0.00 0.00 52.86 51.07 1joq s ASN 144 Cb 0.09 -2.56 -0.02 0.00 -0.02 0.00 0.00 41.25 38.74 1joq s ASN 144 CO 0.06 -2.86 -0.11 0.00 -2.57 0.00 0.00 177.10 171.63 1joq n ALA 145 N 14.48 2.28 -0.02 0.60 0.00 -1.26 -4.77 120.51 131.82 1joq n ALA 145 Ca 0.40 -0.26 -0.18 0.00 0.00 0.00 0.00 53.44 53.39 1joq n ALA 145 Cb 0.47 0.17 -0.07 0.00 0.00 0.00 0.00 19.45 20.02 1joq n ALA 145 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1joq h ASP 146 N -0.32 0.95 -3.84 0.00 3.32 -2.06 -3.49 116.42 110.98 1joq h ASP 146 Ca 0.00 -0.63 0.06 0.00 0.02 0.00 0.00 57.03 56.48 1joq h ASP 146 Cb 0.32 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1joq h ASP 146 CO 0.00 1.43 -0.87 -0.24 -1.72 0.00 0.00 179.24 177.84 1joq n SER 147 N -3.93 -7.02 0.00 6.45 2.88 -1.26 -5.07 113.62 105.67 1joq n SER 147 Ca -0.08 1.51 0.00 0.00 -1.33 0.00 0.00 58.87 58.98 1joq n SER 147 Cb 0.76 -4.13 0.00 0.00 -0.75 0.00 0.00 64.21 60.08 1joq n SER 147 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1joq n GLY 148 N -2.75 1.95 0.00 0.46 0.00 -1.26 -5.22 105.19 98.37 1joq n GLY 148 Ca -0.02 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.27 1joq n GLY 148 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26