#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 3.51 0.49 0.00 -4.23 -1.26 -5.00 115.64 109.16 1joq s THR 2 Ca 0.00 -0.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.97 1joq s THR 2 Cb 0.00 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.41 1joq s THR 2 CO 0.00 0.58 0.00 -1.20 -0.54 0.00 0.00 174.62 173.46 1joq n SER 3 N 2.42 -6.31 0.00 3.99 7.64 -1.26 -5.00 113.62 115.10 1joq n SER 3 Ca -0.18 1.23 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1joq n SER 3 Cb 0.53 -3.93 0.00 0.00 -1.01 0.00 0.00 64.21 59.80 1joq n SER 3 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1joq n THR 4 N -3.59 0.00 -1.30 0.44 -1.04 -1.26 -5.16 114.28 102.37 1joq n THR 4 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1joq n THR 4 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 1joq n THR 4 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1joq n LYS 5 N -1.48 -3.47 0.00 -2.82 5.02 -1.26 -5.07 118.16 109.08 1joq n LYS 5 Ca 0.00 2.68 0.00 0.00 -2.02 0.00 0.00 58.31 58.97 1joq n LYS 5 Cb 0.00 -3.30 0.00 0.00 -0.02 0.00 0.00 35.03 31.71 1joq n LYS 5 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1joq n LYS 6 N -2.21 0.00 0.00 1.97 5.02 -1.26 -5.14 118.16 116.54 1joq n LYS 6 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1joq n LYS 6 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.35 1joq n LYS 6 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1joq n LEU 7 N -0.48 0.00 -4.02 -0.35 4.77 -1.26 -5.01 117.00 110.64 1joq n LEU 7 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 1joq n LEU 7 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1joq n LEU 7 CO 0.00 0.00 -0.20 -2.28 -1.33 0.00 0.00 177.39 173.58 1joq s HIS 8 N 0.42 3.47 0.02 -1.77 5.65 -1.26 -5.07 115.29 116.75 1joq s HIS 8 Ca 0.00 -2.96 -0.30 0.00 0.25 0.00 0.00 55.06 52.04 1joq s HIS 8 Cb 0.00 -2.96 -0.07 0.00 -1.18 0.00 0.00 32.58 28.37 1joq s HIS 8 CO 0.00 -0.86 1.61 0.15 -0.65 0.00 0.00 174.74 174.99 1joq s LYS 9 N 0.34 4.21 0.11 2.88 1.02 -1.26 -4.57 119.74 122.46 1joq s LYS 9 Ca 0.14 2.23 0.06 0.00 0.02 0.00 0.00 55.97 58.41 1joq s LYS 9 Cb -0.22 -3.71 -0.04 0.00 -0.52 0.00 0.00 37.83 33.34 1joq s LYS 9 CO -0.04 -0.74 -0.14 -1.21 -0.92 0.00 0.00 175.35 172.31 1joq s GLU 10 N 3.02 0.98 0.78 1.68 0.41 -0.90 -4.98 118.70 119.69 1joq s GLU 10 Ca 0.72 -1.20 -0.12 0.00 -0.41 0.00 0.00 54.97 53.97 1joq s GLU 10 Cb -0.36 -0.85 0.06 0.00 -1.78 0.00 0.00 34.13 31.20 1joq s GLU 10 CO 0.31 0.16 1.12 -1.25 -0.49 0.00 0.00 175.26 175.11 1joq s PRO 11 N -2.58 2.20 0.29 0.39 0.04 -1.26 0.41 135.00 134.49 1joq s PRO 11 Ca 0.07 0.41 -0.10 0.00 0.04 0.00 0.00 61.00 61.42 1joq s PRO 11 Cb -0.05 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1joq s PRO 11 CO 0.03 -1.48 0.52 0.00 0.04 0.00 0.00 177.00 176.10 1joq s ALA 12 N -3.34 -0.01 -0.22 8.56 0.00 0.00 -4.51 121.76 122.25 1joq s ALA 12 Ca 0.61 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 51.53 1joq s ALA 12 Cb -0.12 1.05 0.05 0.00 0.00 0.00 0.00 23.12 24.09 1joq s ALA 12 CO 0.52 -0.85 -0.12 0.99 0.00 0.00 0.00 175.76 176.30 1joq s THR 13 N -3.53 1.94 0.30 0.00 2.01 -0.79 -4.58 115.64 110.99 1joq s THR 13 Ca 0.24 -1.27 -0.30 0.00 0.31 0.00 0.00 61.69 60.67 1joq s THR 13 Cb -0.01 -1.99 -0.11 0.00 0.01 0.00 0.00 72.50 70.40 1joq s THR 13 CO 0.13 0.14 1.59 -0.22 -0.69 0.00 0.00 174.62 175.57 1joq s LEU 14 N 1.25 4.34 0.00 4.42 1.98 -1.26 -0.03 118.68 129.38 1joq s LEU 14 Ca -0.04 2.97 0.00 0.00 -2.89 0.00 0.00 54.13 54.18 1joq s LEU 14 Cb -0.17 -3.64 0.00 0.00 0.66 0.00 0.00 46.19 43.04 1joq s LEU 14 CO -0.08 -0.92 0.00 -0.38 -1.89 0.00 0.00 176.35 173.08 1joq n ILE 15 N 1.97 0.00 -3.51 6.68 5.41 -0.05 -4.86 119.36 125.01 1joq n ILE 15 Ca 0.07 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.64 1joq n ILE 15 Cb 0.37 -0.72 -0.13 0.00 -0.71 0.00 0.00 39.64 38.45 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 -0.87 0.18 0.32 0.38 2.20 -0.96 -5.00 119.74 115.99 1joq s LYS 16 Ca 0.00 0.23 -0.28 0.00 -0.36 0.00 0.00 55.97 55.56 1joq s LYS 16 Cb 0.00 -1.14 -0.09 0.00 -1.51 0.00 0.00 37.83 35.09 1joq s LYS 16 CO 0.00 -0.62 1.16 0.00 -0.36 0.00 0.00 175.35 175.53 1joq s ALA 17 N 2.32 3.36 -0.08 3.13 0.00 -1.26 -1.96 121.76 127.27 1joq s ALA 17 Ca 0.06 0.99 -0.10 0.00 0.00 0.00 0.00 51.96 52.91 1joq s ALA 17 Cb -0.15 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 1joq s ALA 17 CO -0.11 -0.35 -0.20 -0.89 0.00 0.00 0.00 175.76 174.21 1joq n ILE 18 N 0.81 1.13 -0.71 0.00 5.41 -0.54 -4.91 119.36 120.55 1joq n ILE 18 Ca 0.01 0.25 0.00 0.00 1.00 0.00 0.00 62.75 64.00 1joq n ILE 18 Cb 0.45 -1.97 0.00 0.00 -0.71 0.00 0.00 39.64 37.40 1joq n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1joq n ASP 19 N -3.83 0.00 -0.08 4.38 5.75 -0.96 -5.01 116.55 116.80 1joq n ASP 19 Ca -0.08 0.00 -0.20 0.00 -0.01 0.00 0.00 54.79 54.50 1joq n ASP 19 Cb 0.30 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.26 1joq n ASP 19 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1joq h GLY 20 N 0.00 0.04 -3.64 6.12 0.00 -1.78 -3.38 103.07 100.43 1joq h GLY 20 Ca 0.00 -0.11 -0.54 0.00 0.00 0.00 0.00 47.33 46.68 1joq h GLY 20 CO 0.00 0.10 0.40 1.22 0.00 0.00 0.00 176.54 178.26 1joq n ASP 21 N -4.39 5.47 -3.40 0.19 8.00 -1.26 -4.74 116.55 116.41 1joq n ASP 21 Ca -0.25 -3.74 -0.11 0.00 0.71 0.00 0.00 54.79 51.40 1joq n ASP 21 Cb 0.66 -0.79 -0.09 0.00 -0.02 0.00 0.00 41.12 40.88 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 -4.17 -0.54 -0.02 -3.53 2.01 -1.26 -2.10 115.64 106.03 1joq s THR 22 Ca 0.58 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.52 1joq s THR 22 Cb 0.47 -0.77 0.02 0.00 0.01 0.00 0.00 72.50 72.23 1joq s THR 22 CO 0.03 -0.13 -0.00 0.68 -0.69 0.00 0.00 174.62 174.51 1joq s VAL 23 N 2.50 0.15 -0.28 3.82 -7.23 -0.97 -1.47 120.40 116.91 1joq s VAL 23 Ca 0.11 0.04 -0.24 0.00 -1.81 0.00 0.00 61.98 60.07 1joq s VAL 23 Cb -0.15 -0.21 -0.00 0.00 0.56 0.00 0.00 36.38 36.58 1joq s VAL 23 CO -0.15 0.10 0.82 -0.54 -0.31 0.00 0.00 175.10 175.02 1joq s LYS 24 N 0.65 4.07 0.12 4.82 1.02 -0.83 -2.11 119.74 127.48 1joq s LYS 24 Ca -0.06 0.77 0.00 0.00 0.02 0.00 0.00 55.97 56.70 1joq s LYS 24 Cb -0.09 -3.69 -0.00 0.00 -0.52 0.00 0.00 37.83 33.53 1joq s LYS 24 CO -0.01 -0.61 0.02 1.28 -0.92 0.00 0.00 175.35 175.10 1joq n LEU 25 N 6.14 0.00 -4.06 3.17 4.32 -0.95 -0.87 117.00 124.76 1joq n LEU 25 Ca 0.05 -0.79 -0.32 0.00 -0.02 0.00 0.00 56.01 54.93 1joq n LEU 25 Cb 0.48 0.16 -0.16 0.00 -1.62 0.00 0.00 43.42 42.28 1joq n LEU 25 CO 0.49 -0.12 -0.48 -0.32 -1.22 0.00 0.00 177.39 175.74 1joq s MET 26 N -2.43 2.41 -0.18 3.23 1.75 0.96 -2.08 119.30 122.96 1joq s MET 26 Ca 0.02 -0.97 -0.01 0.00 -1.25 0.00 0.00 55.69 53.48 1joq s MET 26 Cb 0.00 -2.59 -0.00 0.00 2.84 0.00 0.00 34.83 35.08 1joq s MET 26 CO 0.02 -0.39 -0.11 -0.47 -0.65 0.00 0.00 175.02 173.41 1joq s TYR 27 N 1.28 2.86 0.00 4.11 5.04 -0.55 -1.89 117.35 128.20 1joq s TYR 27 Ca -0.01 -1.02 0.00 0.00 -2.44 0.00 0.00 57.07 53.60 1joq s TYR 27 Cb -0.16 -1.97 0.00 0.00 0.35 0.00 0.00 41.96 40.18 1joq s TYR 27 CO -0.09 -0.50 0.00 1.63 -1.34 0.00 0.00 175.55 175.25 1joq n LYS 28 N 4.33 -0.94 0.00 4.97 5.02 -1.26 -1.66 118.16 128.62 1joq n LYS 28 Ca -0.19 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1joq n LYS 28 Cb 0.51 -4.26 0.00 0.00 -0.02 0.00 0.00 35.03 31.27 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 -0.78 0.82 3.25 0.72 0.00 -1.26 -5.08 105.19 102.87 1joq n GLY 29 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1joq n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1joq s GLN 30 N -0.82 2.96 0.12 1.61 -2.07 -0.66 -5.08 119.66 115.73 1joq s GLN 30 Ca 0.00 -0.86 -0.30 0.00 -1.82 0.00 0.00 55.36 52.38 1joq s GLN 30 Cb 0.00 -2.31 -0.07 0.00 -1.09 0.00 0.00 33.01 29.54 1joq s GLN 30 CO 0.00 0.24 1.19 -1.25 -1.32 0.00 0.00 175.29 174.15 1joq s PRO 31 N 0.21 4.47 0.01 9.60 0.04 -1.26 -1.48 135.00 146.58 1joq s PRO 31 Ca -0.14 1.81 -0.15 0.00 0.04 0.00 0.00 61.00 62.56 1joq s PRO 31 Cb -0.17 -3.30 0.02 0.00 0.04 0.00 0.00 34.50 31.10 1joq s PRO 31 CO 0.07 -0.15 0.32 -1.64 0.04 0.00 0.00 177.00 175.64 1joq s MET 32 N 0.39 0.73 -0.42 4.56 -1.94 -0.88 -4.97 119.30 116.76 1joq s MET 32 Ca 0.55 -0.31 -0.21 0.00 -1.71 0.00 0.00 55.69 54.02 1joq s MET 32 Cb -0.31 0.32 0.02 0.00 2.01 0.00 0.00 34.83 36.87 1joq s MET 32 CO 0.33 -0.22 0.65 0.99 -0.01 0.00 0.00 175.02 176.76 1joq s THR 33 N -1.81 4.83 0.10 2.05 2.01 -1.26 -2.24 115.64 119.32 1joq s THR 33 Ca -0.10 0.23 -0.14 0.00 0.31 0.00 0.00 61.69 61.99 1joq s THR 33 Cb -0.03 -4.19 -0.06 0.00 0.01 0.00 0.00 72.50 68.23 1joq s THR 33 CO 0.01 -0.55 0.50 -0.36 -0.69 0.00 0.00 174.62 173.54 1joq s PHE 34 N 2.83 3.65 -0.14 4.92 0.08 -0.90 -1.05 117.98 127.37 1joq s PHE 34 Ca 0.23 1.03 0.01 0.00 0.12 0.00 0.00 56.93 58.32 1joq s PHE 34 Cb -0.14 -2.33 0.02 0.00 -0.57 0.00 0.00 43.02 40.00 1joq s PHE 34 CO 0.18 0.50 -0.15 1.03 -0.10 0.00 0.00 175.22 176.69 1joq s ARG 35 N -1.70 2.31 0.15 0.44 1.81 -0.96 -2.30 118.95 118.69 1joq s ARG 35 Ca 0.34 -0.57 -0.33 0.00 -1.72 0.00 0.00 55.73 53.44 1joq s ARG 35 Cb -0.16 -2.07 -0.17 0.00 -0.45 0.00 0.00 34.95 32.11 1joq s ARG 35 CO 0.18 -0.19 1.02 1.28 -0.68 0.00 0.00 175.30 176.91 1joq n LEU 36 N 4.61 0.70 -4.88 2.53 4.77 -0.89 -4.08 117.00 119.76 1joq n LEU 36 Ca -0.18 1.14 -0.31 0.00 -0.03 0.00 0.00 56.01 56.64 1joq n LEU 36 Cb 0.50 -1.11 -0.05 0.00 -2.33 0.00 0.00 43.42 40.43 1joq n LEU 36 CO 0.22 -1.75 0.23 -0.76 -1.33 0.00 0.00 177.39 174.00 1joq s LEU 37 N 0.97 4.13 -0.63 2.23 1.43 -1.26 -4.01 118.68 121.55 1joq s LEU 37 Ca 0.74 0.91 0.00 0.00 -1.03 0.00 0.00 54.13 54.75 1joq s LEU 37 Cb -0.94 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 41.59 1joq s LEU 37 CO 0.54 -0.11 0.00 0.18 0.23 0.00 0.00 176.35 177.19 1joq n LEU 38 N -0.31 -0.04 -3.99 1.79 4.77 -1.25 -4.96 117.00 113.02 1joq n LEU 38 Ca 0.00 0.15 -0.08 0.00 -0.03 0.00 0.00 56.01 56.05 1joq n LEU 38 Cb 0.53 -1.96 -0.09 0.00 -2.33 0.00 0.00 43.42 39.57 1joq n LEU 38 CO 0.46 -0.70 -0.21 0.68 -1.33 0.00 0.00 177.39 176.28 1joq s VAL 39 N -1.83 0.16 -0.13 4.08 -7.23 -1.15 -2.15 120.40 112.15 1joq s VAL 39 Ca 0.00 -1.52 -0.10 0.00 -1.81 0.00 0.00 61.98 58.55 1joq s VAL 39 Cb 0.00 -1.53 0.04 0.00 0.56 0.00 0.00 36.38 35.44 1joq s VAL 39 CO 0.00 -0.73 0.33 -0.62 -0.31 0.00 0.00 175.10 173.77 1joq s ASP 40 N -2.91 -0.36 0.77 4.85 2.15 -0.20 -4.45 116.67 116.50 1joq s ASP 40 Ca 0.09 0.68 -0.11 0.00 0.43 0.00 0.00 52.55 53.65 1joq s ASP 40 Cb 0.06 0.66 0.05 0.00 -0.30 0.00 0.00 42.92 43.39 1joq s ASP 40 CO -0.08 -0.13 1.09 0.42 -0.17 0.00 0.00 175.17 176.29 1joq s THR 41 N 0.49 3.39 0.00 1.71 -4.23 -1.26 -2.54 115.64 113.20 1joq s THR 41 Ca -0.03 0.45 0.00 0.00 -1.18 0.00 0.00 61.69 60.93 1joq s THR 41 Cb -0.04 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.84 1joq s THR 41 CO -0.03 -0.59 0.14 -0.81 -0.54 0.00 0.00 174.62 172.80 1joq n PRO 42 N -3.49 0.00 -3.94 3.99 -0.04 -1.26 -4.88 135.00 125.38 1joq n PRO 42 Ca 0.09 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.45 1joq n PRO 42 Cb 0.53 -0.61 -0.11 0.00 -0.04 0.00 0.00 33.50 33.27 1joq n PRO 42 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1joq s GLU 43 N -0.28 0.38 0.00 0.54 2.12 -1.26 -5.04 118.70 115.16 1joq s GLU 43 Ca 0.00 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 54.79 1joq s GLU 43 Cb 0.00 0.14 0.00 0.00 0.26 0.00 0.00 34.13 34.53 1joq s GLU 43 CO 0.00 -0.07 0.00 0.25 -0.54 0.00 0.00 175.26 174.90 1joq n THR 44 N 1.53 0.00 0.69 -1.70 -2.24 -1.26 -4.84 114.28 106.46 1joq n THR 44 Ca -0.24 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.61 1joq n THR 44 Cb 0.55 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.70 1joq n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1joq n LYS 45 N 0.00 2.10 -3.18 -0.78 5.02 -1.26 -5.04 118.16 115.01 1joq n LYS 45 Ca 0.00 -0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 1joq n LYS 45 Cb 0.00 -1.20 0.01 0.00 -0.02 0.00 0.00 35.03 33.82 1joq n LYS 45 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1joq n HIS 46 N -1.36 -1.10 0.00 2.13 -0.00 -1.26 -4.97 115.22 108.67 1joq n HIS 46 Ca 0.03 0.47 0.00 0.00 -0.00 0.00 0.00 57.72 58.22 1joq n HIS 46 Cb 0.23 -1.60 0.00 0.00 -0.00 0.00 0.00 29.99 28.62 1joq n HIS 46 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1joq n PRO 47 N 0.90 0.00 0.00 1.57 -0.04 -1.26 -4.83 135.00 131.34 1joq n PRO 47 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1joq n PRO 47 Cb 0.47 -0.30 0.00 0.00 -0.04 0.00 0.00 33.50 33.64 1joq n PRO 47 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1joq n LYS 48 N -0.30 0.00 -0.61 0.54 4.81 -1.26 -4.74 118.16 116.60 1joq n LYS 48 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.52 1joq n LYS 48 Cb 0.00 -0.53 0.34 0.00 0.02 0.00 0.00 35.03 34.86 1joq n LYS 48 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1joq n LYS 49 N -2.65 3.68 0.00 1.64 2.85 -1.26 -5.05 118.16 117.37 1joq n LYS 49 Ca 0.00 -2.70 0.00 0.00 -1.05 0.00 0.00 58.31 54.56 1joq n LYS 49 Cb 0.36 -1.90 0.00 0.00 -0.65 0.00 0.00 35.03 32.84 1joq n LYS 49 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1joq n GLY 50 N 1.04 0.64 3.78 2.58 0.00 -1.26 -4.71 105.19 107.25 1joq n GLY 50 Ca 0.24 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 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 0.00 4.62 -0.01 1.61 1.01 -1.26 -4.72 120.40 121.65 1joq s VAL 51 Ca 0.00 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1joq s VAL 51 Cb 0.00 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1joq s VAL 51 CO 0.00 0.23 0.05 -0.62 0.00 0.00 0.00 175.10 174.76 1joq n GLU 52 N 0.79 0.24 -4.32 2.72 1.02 -1.26 -4.74 120.64 115.08 1joq n GLU 52 Ca -0.10 -0.02 -0.24 0.00 -0.02 0.00 0.00 57.16 56.77 1joq n GLU 52 Cb 0.52 -1.04 -0.17 0.00 -0.02 0.00 0.00 31.44 30.73 1joq n GLU 52 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1joq s LYS 53 N -2.14 1.48 0.00 3.49 0.00 -1.26 -4.70 119.74 116.62 1joq s LYS 53 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 55.97 55.65 1joq s LYS 53 Cb 0.01 -1.34 0.00 0.00 0.00 0.00 0.00 37.83 36.50 1joq s LYS 53 CO 0.10 -0.07 0.00 0.66 0.00 0.00 0.00 175.35 176.03 1joq n TYR 54 N 4.17 0.00 0.00 1.78 4.01 -1.26 -4.90 117.16 120.95 1joq n TYR 54 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 1joq n TYR 54 Cb 0.51 -1.34 0.00 0.00 -0.31 0.00 0.00 39.34 38.20 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 -0.45 -2.28 2.31 2.72 0.00 -1.26 -3.16 105.19 103.06 1joq n GLY 55 Ca 0.00 0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.36 3.71 0.01 1.61 -0.04 -1.26 -4.39 135.00 134.28 1joq n PRO 56 Ca 0.00 -2.29 -0.00 0.00 -0.04 0.00 0.00 63.50 61.16 1joq n PRO 56 Cb 0.00 -2.72 -0.00 0.00 -0.04 0.00 0.00 33.50 30.74 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 3.24 0.01 0.11 0.54 -0.58 -1.19 -4.62 120.64 118.14 1joq n GLU 57 Ca 0.74 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 57.37 1joq n GLU 57 Cb 0.28 -0.17 -0.07 0.00 -0.57 0.00 0.00 31.44 30.91 1joq n GLU 57 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1joq h ALA 58 N -0.11 -0.33 -0.62 0.62 0.00 -1.76 -0.71 119.26 116.35 1joq h ALA 58 Ca 0.00 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.78 1joq h ALA 58 Cb 0.02 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 17.83 1joq h ALA 58 CO 0.00 -0.42 -0.53 1.03 0.00 0.00 0.00 179.25 179.33 1joq h SER 59 N -0.86 -1.85 -0.62 0.00 0.87 -1.83 0.44 113.55 109.69 1joq h SER 59 Ca -0.03 0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 1joq h SER 59 Cb 0.51 0.80 -0.03 0.00 -0.44 0.00 0.00 62.40 63.24 1joq h SER 59 CO 0.06 -0.34 0.37 0.00 -0.53 0.00 0.00 176.83 176.38 1joq h ALA 60 N 0.29 1.46 -0.84 6.23 0.00 -1.82 -0.80 119.26 123.78 1joq h ALA 60 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1joq h ALA 60 Cb 0.54 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1joq h ALA 60 CO -0.72 0.46 0.00 0.34 0.00 0.00 0.00 179.25 179.33 1joq n PHE 61 N -4.40 0.00 0.31 0.00 7.35 0.14 -1.32 117.46 119.54 1joq n PHE 61 Ca 0.06 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.93 1joq n PHE 61 Cb 0.08 -0.36 0.97 0.00 0.35 0.00 0.00 39.48 40.52 1joq n PHE 61 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1joq h THR 62 N 0.00 0.00 0.42 -2.13 2.02 -1.23 -2.08 112.91 109.92 1joq h THR 62 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1joq h THR 62 Cb 0.00 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1joq h THR 62 CO 0.00 0.00 -0.20 0.50 0.37 0.00 0.00 175.52 176.19 1joq h LYS 63 N 0.00 -0.54 0.00 6.66 1.63 0.19 -1.62 116.57 122.89 1joq h LYS 63 Ca 0.00 0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1joq h LYS 63 Cb 0.24 0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 31.99 1joq h LYS 63 CO 0.00 -0.36 -0.10 0.87 -3.45 0.00 0.00 179.45 176.40 1joq h LYS 64 N -0.62 0.00 0.00 1.90 6.56 -1.06 -1.01 116.57 122.34 1joq h LYS 64 Ca -0.06 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1joq h LYS 64 Cb 0.43 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.09 1joq h LYS 64 CO 0.09 0.10 0.00 -0.12 -2.06 0.00 0.00 179.45 177.47 1joq n MET 65 N -3.68 0.00 0.27 3.15 1.56 -0.81 -1.36 117.12 116.25 1joq n MET 65 Ca -0.02 0.40 0.11 0.00 -0.27 0.00 0.00 57.70 57.93 1joq n MET 65 Cb 0.22 -1.32 0.74 0.00 2.15 0.00 0.00 33.22 35.00 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 0.71 -0.32 1.12 -1.51 -1.32 0.20 116.25 115.13 1joq h VAL 66 Ca 0.00 -0.32 -0.11 0.00 -1.23 0.00 0.00 66.70 65.05 1joq h VAL 66 Cb 0.00 1.19 -0.01 0.00 -2.13 0.00 0.00 31.29 30.34 1joq h VAL 66 CO 0.00 0.08 -0.24 -0.33 -1.23 0.00 0.00 177.57 175.85 1joq h GLU 67 N 0.00 0.63 -0.01 5.19 5.08 -1.16 -2.95 114.58 121.35 1joq h GLU 67 Ca -0.00 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1joq h GLU 67 Cb 0.18 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1joq h GLU 67 CO 0.01 0.81 -0.73 0.09 -1.00 0.00 0.00 179.01 178.19 1joq n ASN 68 N -4.11 1.42 -4.67 1.42 3.02 -0.46 -4.94 115.26 106.93 1joq n ASN 68 Ca -0.00 -1.19 -0.55 0.00 -0.03 0.00 0.00 54.58 52.81 1joq n ASN 68 Cb 0.42 0.72 -0.07 0.00 -0.61 0.00 0.00 39.78 40.24 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 -0.84 0.15 -0.09 5.41 0.00 0.63 -4.81 120.51 120.95 1joq n ALA 69 Ca 0.07 0.32 -0.11 0.00 0.00 0.00 0.00 53.44 53.71 1joq n ALA 69 Cb 0.39 -2.31 0.02 0.00 0.00 0.00 0.00 19.45 17.55 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 8.18 0.84 -3.28 0.00 1.79 -1.90 -3.43 116.57 118.77 1joq h LYS 70 Ca -0.44 -0.43 -0.33 0.00 -2.18 0.00 0.00 60.65 57.27 1joq h LYS 70 Cb 1.31 0.01 -0.37 0.00 -1.58 0.00 0.00 32.23 31.60 1joq h LYS 70 CO 0.97 1.07 -0.70 0.15 -1.08 0.00 0.00 179.45 179.86 1joq s LYS 71 N -4.37 -0.03 -0.09 3.15 1.02 -1.26 -5.04 119.74 113.11 1joq s LYS 71 Ca -0.10 0.40 0.00 0.00 0.02 0.00 0.00 55.97 56.30 1joq s LYS 71 Cb 0.12 -0.39 -0.03 0.00 -0.52 0.00 0.00 37.83 37.01 1joq s LYS 71 CO 0.86 -0.29 -0.09 0.42 -0.92 0.00 0.00 175.35 175.34 1joq s ILE 72 N 1.98 3.50 -0.06 2.17 1.01 -1.26 -3.22 121.20 125.32 1joq s ILE 72 Ca 0.02 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.14 1joq s ILE 72 Cb -0.12 -2.45 0.02 0.00 0.01 0.00 0.00 42.46 39.92 1joq s ILE 72 CO -0.04 0.57 -0.06 -1.61 0.00 0.00 0.00 174.94 173.79 1joq s GLU 73 N -0.40 1.13 0.40 2.79 8.01 -0.99 -0.82 118.70 128.83 1joq s GLU 73 Ca 0.05 -0.18 -0.10 0.00 0.01 0.00 0.00 54.97 54.75 1joq s GLU 73 Cb -0.12 -1.12 -0.06 0.00 -4.31 0.00 0.00 34.13 28.52 1joq s GLU 73 CO 0.02 -0.11 0.76 0.14 0.01 0.00 0.00 175.26 176.09 1joq s VAL 74 N 1.10 4.79 -0.42 2.63 -7.23 0.17 -1.96 120.40 119.48 1joq s VAL 74 Ca -0.08 0.60 0.02 0.00 -1.81 0.00 0.00 61.98 60.71 1joq s VAL 74 Cb -0.14 -3.73 0.14 0.00 0.56 0.00 0.00 36.38 33.21 1joq s VAL 74 CO -0.01 -0.52 0.26 -0.70 -0.31 0.00 0.00 175.10 173.81 1joq s GLU 75 N -3.86 1.05 0.28 4.82 2.12 -0.10 -2.11 118.70 120.90 1joq s GLU 75 Ca 0.51 -1.86 -0.30 0.00 0.36 0.00 0.00 54.97 53.68 1joq s GLU 75 Cb -0.10 -1.92 -0.11 0.00 0.26 0.00 0.00 34.13 32.25 1joq s GLU 75 CO 0.32 -1.21 1.62 -0.06 -0.54 0.00 0.00 175.26 175.38 1joq s PHE 76 N 0.47 2.76 0.00 5.30 0.08 -1.26 -2.37 117.98 122.96 1joq s PHE 76 Ca 0.20 0.72 0.00 0.00 0.12 0.00 0.00 56.93 57.97 1joq s PHE 76 Cb -0.19 -4.09 0.00 0.00 -0.57 0.00 0.00 43.02 38.17 1joq s PHE 76 CO -0.03 -3.72 0.00 -3.47 -0.10 0.00 0.00 175.22 167.90 1joq n ASP 77 N 2.39 -0.11 0.07 1.36 -0.08 -1.26 -4.65 116.55 114.28 1joq n ASP 77 Ca 0.09 -0.50 0.12 0.00 -1.51 0.00 0.00 54.79 52.99 1joq n ASP 77 Cb 0.37 0.00 0.10 0.00 2.34 0.00 0.00 41.12 43.93 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 -0.00 -1.95 -3.47 116.57 110.49 1joq h LYS 78 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 1joq h LYS 78 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 1joq h LYS 78 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 179.45 179.86 1joq n GLY 79 N 1.29 -1.20 1.82 0.07 0.00 -1.26 -4.95 105.19 100.96 1joq n GLY 79 Ca 0.02 -1.46 -0.17 0.00 0.00 0.00 0.00 46.02 44.41 1joq n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1joq n GLN 80 N 0.00 -3.52 0.00 1.61 3.00 -1.26 -4.98 117.38 112.22 1joq n GLN 80 Ca 0.00 -0.82 0.00 0.00 -0.01 0.00 0.00 57.00 56.17 1joq n GLN 80 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 30.24 29.16 1joq n GLN 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1joq n ARG 81 N -4.04 1.62 -3.90 -1.09 1.74 -1.26 -4.69 116.66 105.03 1joq n ARG 81 Ca 0.08 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.05 1joq n ARG 81 Cb 0.34 -0.85 -0.10 0.00 -1.02 0.00 0.00 32.46 30.83 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 -1.54 0.10 0.00 0.55 -4.23 -1.26 -1.69 115.64 107.58 1joq s THR 82 Ca 0.00 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 1joq s THR 82 Cb 0.00 -0.58 0.00 0.00 1.34 0.00 0.00 72.50 73.26 1joq s THR 82 CO 0.00 -0.47 0.00 0.47 -0.54 0.00 0.00 174.62 174.08 1joq n ASP 83 N 1.22 0.00 0.23 3.99 8.00 -0.92 -4.89 116.55 124.17 1joq n ASP 83 Ca -0.22 -0.70 0.16 0.00 0.71 0.00 0.00 54.79 54.74 1joq n ASP 83 Cb 0.56 0.00 0.65 0.00 -0.02 0.00 0.00 41.12 42.32 1joq n ASP 83 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1joq h LYS 84 N 0.00 0.00 -0.08 -1.24 2.10 -2.02 -1.89 116.57 113.44 1joq h LYS 84 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1joq h LYS 84 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1joq h LYS 84 CO 0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 1joq n TYR 85 N -2.80 0.09 -0.75 0.07 4.01 -1.26 -4.88 117.16 111.64 1joq n TYR 85 Ca 0.01 -0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1joq n TYR 85 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 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 1.15 1.31 3.77 2.72 0.00 -0.71 -4.98 105.19 108.45 1joq n GLY 86 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.07 3.97 -0.14 1.61 0.52 -1.26 -4.67 118.95 118.91 1joq s ARG 87 Ca 0.00 2.22 -0.22 0.00 -0.52 0.00 0.00 55.73 57.22 1joq s ARG 87 Cb 0.00 -2.78 -0.03 0.00 0.52 0.00 0.00 34.95 32.66 1joq s ARG 87 CO 0.00 -0.52 0.66 0.20 0.02 0.00 0.00 175.30 175.67 1joq s GLY 88 N -0.65 2.28 -0.29 -3.53 0.00 -0.21 -2.17 107.32 102.75 1joq s GLY 88 Ca 0.56 -0.09 -0.13 0.00 0.00 0.00 0.00 44.72 45.07 1joq s GLY 88 CO 0.51 1.26 0.27 1.08 0.00 0.00 0.00 173.10 176.22 1joq s LEU 89 N 1.44 4.13 -0.02 0.66 1.43 -0.68 -2.26 118.68 123.37 1joq s LEU 89 Ca 0.33 0.02 -0.30 0.00 -1.03 0.00 0.00 54.13 53.14 1joq s LEU 89 Cb -0.16 -2.24 0.11 0.00 0.03 0.00 0.00 46.19 43.92 1joq s LEU 89 CO 0.13 -0.14 1.06 0.00 0.23 0.00 0.00 176.35 177.62 1joq s ALA 90 N 1.88 -1.93 0.08 4.21 0.00 -1.26 -4.32 121.76 120.43 1joq s ALA 90 Ca 0.10 0.94 -0.24 0.00 0.00 0.00 0.00 51.96 52.76 1joq s ALA 90 Cb -0.16 0.31 -0.06 0.00 0.00 0.00 0.00 23.12 23.20 1joq s ALA 90 CO 0.11 -0.80 0.73 0.71 0.00 0.00 0.00 175.76 176.51 1joq s TYR 91 N -2.85 3.79 -0.16 0.00 2.02 -1.00 -4.13 117.35 115.02 1joq s TYR 91 Ca 0.09 1.48 -0.07 0.00 -0.37 0.00 0.00 57.07 58.20 1joq s TYR 91 Cb -0.00 -2.75 -0.04 0.00 -0.40 0.00 0.00 41.96 38.77 1joq s TYR 91 CO -0.05 0.39 0.07 0.42 -1.57 0.00 0.00 175.55 174.81 1joq s ILE 92 N -0.51 4.90 -0.17 2.71 1.01 -1.26 -0.92 121.20 126.95 1joq s ILE 92 Ca 0.36 -0.00 -0.00 0.00 0.00 0.00 0.00 60.65 61.01 1joq s ILE 92 Cb -0.21 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.08 1joq s ILE 92 CO 0.23 0.50 -0.15 -0.31 0.00 0.00 0.00 174.94 175.21 1joq s TYR 93 N -0.01 2.81 -0.11 3.97 1.51 -0.83 -2.10 117.35 122.59 1joq s TYR 93 Ca 0.07 -1.21 0.01 0.00 -1.01 0.00 0.00 57.07 54.92 1joq s TYR 93 Cb -0.12 -1.93 -0.02 0.00 -0.11 0.00 0.00 41.96 39.78 1joq s TYR 93 CO 0.01 -0.59 -0.14 0.00 -1.11 0.00 0.00 175.55 173.72 1joq s ALA 94 N 1.07 2.61 -1.92 3.71 0.00 -0.01 -2.36 121.76 124.87 1joq s ALA 94 Ca -0.01 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1joq s ALA 94 Cb -0.14 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.83 1joq s ALA 94 CO -0.04 0.32 0.00 -0.25 0.00 0.00 0.00 175.76 175.79 1joq n ASP 95 N 3.24 -5.34 -0.26 0.00 9.92 -1.20 -1.05 116.55 121.87 1joq n ASP 95 Ca -0.18 0.34 -0.03 0.00 -0.53 0.00 0.00 54.79 54.40 1joq n ASP 95 Cb 0.53 -4.48 -0.01 0.00 -0.64 0.00 0.00 41.12 36.51 1joq n ASP 95 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1joq n GLY 96 N -0.74 0.42 3.25 0.44 0.00 -1.26 -5.04 105.19 102.27 1joq n GLY 96 Ca -0.20 -0.87 -0.18 0.00 0.00 0.00 0.00 46.02 44.77 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 -3.20 1.05 -0.49 1.61 2.20 -0.22 -5.09 119.74 115.60 1joq s LYS 97 Ca 0.00 -1.27 -0.28 0.00 -0.36 0.00 0.00 55.97 54.06 1joq s LYS 97 Cb 0.00 -0.93 0.03 0.00 -1.51 0.00 0.00 37.83 35.42 1joq s LYS 97 CO 0.00 0.18 1.09 1.41 -0.36 0.00 0.00 175.35 177.66 1joq s MET 98 N -2.75 3.64 0.33 4.03 -2.45 -1.26 -0.83 119.30 120.02 1joq s MET 98 Ca 0.10 0.40 0.02 0.00 -1.25 0.00 0.00 55.69 54.97 1joq s MET 98 Cb -0.05 -3.93 0.57 0.00 1.25 0.00 0.00 34.83 32.68 1joq s MET 98 CO 0.03 -1.38 1.91 0.28 1.05 0.00 0.00 175.02 176.91 1joq h VAL 99 N 6.19 1.19 0.48 10.11 2.07 -1.76 -2.09 116.25 132.44 1joq h VAL 99 Ca -0.24 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1joq h VAL 99 Cb 1.06 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1joq h VAL 99 CO 1.11 0.24 -0.41 0.78 0.02 0.00 0.00 177.57 179.31 1joq h ASN 100 N 0.68 -1.09 -0.06 0.57 4.21 -1.90 -1.14 115.58 116.84 1joq h ASN 100 Ca 0.16 0.08 0.02 0.00 1.21 0.00 0.00 56.30 57.77 1joq h ASN 100 Cb 0.19 0.35 -0.00 0.00 -1.12 0.00 0.00 38.32 37.74 1joq h ASN 100 CO -0.01 -0.58 0.05 -0.08 -1.29 0.00 0.00 177.43 175.51 1joq h GLU 101 N -0.89 0.00 -0.75 0.81 4.81 -1.92 -1.30 114.58 115.35 1joq h GLU 101 Ca -0.05 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1joq h GLU 101 Cb 0.77 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.11 1joq h GLU 101 CO -0.02 0.00 0.41 0.00 -0.73 0.00 0.00 179.01 178.67 1joq h ALA 102 N 1.97 0.97 0.34 2.92 0.00 -0.53 0.02 119.26 124.95 1joq h ALA 102 Ca 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1joq h ALA 102 Cb 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1joq h ALA 102 CO -0.00 0.48 -0.17 -0.07 0.00 0.00 0.00 179.25 179.50 1joq h LEU 103 N 1.04 -0.39 -2.58 0.00 3.38 -0.36 -2.34 115.31 114.06 1joq h LEU 103 Ca 0.26 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1joq h LEU 103 Cb 0.04 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1joq h LEU 103 CO -0.04 -0.06 0.10 0.58 0.09 0.00 0.00 178.44 179.11 1joq h VAL 104 N -0.75 0.17 -0.07 1.22 2.07 -1.35 -1.18 116.25 116.36 1joq h VAL 104 Ca -0.05 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.34 1joq h VAL 104 Cb 0.51 0.90 0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1joq h VAL 104 CO 0.08 0.00 -0.48 -0.09 0.02 0.00 0.00 177.57 177.10 1joq h ARG 105 N 0.00 0.44 -0.16 1.57 2.43 -0.52 -3.03 114.38 115.12 1joq h ARG 105 Ca 0.02 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 1joq h ARG 105 Cb 0.22 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1joq h ARG 105 CO -0.00 1.03 0.00 1.04 -1.51 0.00 0.00 179.97 180.53 1joq n GLN 106 N -4.28 1.40 -2.81 0.20 3.00 -0.53 -4.77 117.38 109.59 1joq n GLN 106 Ca -0.09 -0.62 -0.22 0.00 -0.01 0.00 0.00 57.00 56.07 1joq n GLN 106 Cb 0.59 -1.19 0.02 0.00 0.00 0.00 0.00 30.24 29.67 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 0.83 -0.50 1.33 1.08 0.00 -0.70 -4.57 105.19 102.66 1joq n GLY 107 Ca 0.08 0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.66 4.08 -3.81 0.99 4.77 -0.72 -3.18 117.00 115.47 1joq n LEU 108 Ca -0.15 -2.15 -0.03 0.00 -0.03 0.00 0.00 56.01 53.64 1joq n LEU 108 Cb 0.64 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1joq n LEU 108 CO 0.41 0.91 0.76 0.00 -1.33 0.00 0.00 177.39 178.14 1joq s ALA 109 N -1.28 -1.59 -0.06 -1.18 0.00 -1.25 -4.46 121.76 111.93 1joq s ALA 109 Ca 0.47 -0.12 -0.06 0.00 0.00 0.00 0.00 51.96 52.24 1joq s ALA 109 Cb 0.26 0.69 0.02 0.00 0.00 0.00 0.00 23.12 24.09 1joq s ALA 109 CO 0.28 -1.05 0.17 -1.59 0.00 0.00 0.00 175.76 173.57 1joq s LYS 110 N -2.69 0.20 0.41 0.00 0.00 -1.05 -4.58 119.74 112.03 1joq s LYS 110 Ca 0.17 0.22 -0.25 0.00 0.00 0.00 0.00 55.97 56.11 1joq s LYS 110 Cb -0.02 0.10 -0.10 0.00 0.00 0.00 0.00 37.83 37.80 1joq s LYS 110 CO 0.04 -0.02 1.14 0.28 0.00 0.00 0.00 175.35 176.78 1joq n VAL 111 N 2.97 2.48 -3.68 1.79 0.31 -1.26 -1.04 118.33 119.90 1joq n VAL 111 Ca -0.13 -0.50 -0.01 0.00 -0.01 0.00 0.00 64.34 63.69 1joq n VAL 111 Cb 0.59 -1.34 -0.01 0.00 -0.91 0.00 0.00 33.84 32.17 1joq n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1joq s ALA 112 N -1.22 -1.93 -1.15 3.52 0.00 -0.92 -4.70 121.76 115.36 1joq s ALA 112 Ca 0.62 0.44 -0.10 0.00 0.00 0.00 0.00 51.96 52.93 1joq s ALA 112 Cb -0.54 0.49 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 1joq s ALA 112 CO 0.57 -1.02 0.83 0.66 0.00 0.00 0.00 175.76 176.80 1joq n TYR 113 N -0.46 -2.12 -3.05 0.00 4.01 -1.26 -2.92 117.16 111.37 1joq n TYR 113 Ca -0.07 0.71 -0.45 0.00 -0.16 0.00 0.00 57.90 57.93 1joq n TYR 113 Cb 0.62 -3.98 -0.02 0.00 -0.31 0.00 0.00 39.34 35.64 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 -3.48 4.97 -0.08 -0.72 1.01 -1.26 -4.10 120.40 116.74 1joq s VAL 114 Ca 0.33 -1.78 -0.01 0.00 0.00 0.00 0.00 61.98 60.53 1joq s VAL 114 Cb -0.08 -4.68 -0.03 0.00 0.00 0.00 0.00 36.38 31.59 1joq s VAL 114 CO 0.80 -1.35 -0.03 -0.31 0.00 0.00 0.00 175.10 174.20 1joq s TYR 115 N 2.00 3.05 0.38 5.22 2.02 -1.26 -5.03 117.35 123.72 1joq s TYR 115 Ca 0.27 0.07 -0.05 0.00 -0.37 0.00 0.00 57.07 57.00 1joq s TYR 115 Cb -0.07 -1.77 -0.05 0.00 -0.40 0.00 0.00 41.96 39.67 1joq s TYR 115 CO -0.08 0.36 0.66 -1.59 -1.57 0.00 0.00 175.55 173.33 1joq s LYS 116 N -0.73 3.60 -0.14 -0.62 -2.85 -1.26 -0.31 119.74 117.43 1joq s LYS 116 Ca 0.11 0.07 0.01 0.00 -1.00 0.00 0.00 55.97 55.16 1joq s LYS 116 Cb -0.11 -2.53 0.19 0.00 -2.06 0.00 0.00 37.83 33.32 1joq s LYS 116 CO 0.02 0.04 1.34 -0.35 0.10 0.00 0.00 175.35 176.50 1joq n PRO 117 N -1.56 1.39 -1.26 1.78 -0.04 -1.26 -4.97 135.00 129.07 1joq n PRO 117 Ca -0.01 -0.91 -0.20 0.00 -0.04 0.00 0.00 63.50 62.34 1joq n PRO 117 Cb 0.55 -1.36 -0.10 0.00 -0.04 0.00 0.00 33.50 32.55 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 0.08 5.94 -2.24 3.54 3.02 0.58 -4.15 115.26 122.03 1joq n ASN 118 Ca 0.18 -2.89 -0.01 0.00 -0.03 0.00 0.00 54.58 51.82 1joq n ASN 118 Cb 0.82 -1.31 0.05 0.00 -0.61 0.00 0.00 39.78 38.73 1joq n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1joq n ASN 119 N 1.55 1.84 -0.30 6.41 0.23 -1.25 -4.51 115.26 119.23 1joq n ASN 119 Ca 0.46 -2.34 -0.05 0.00 -0.53 0.00 0.00 54.58 52.11 1joq n ASN 119 Cb 0.71 -0.42 0.07 0.00 -2.08 0.00 0.00 39.78 38.06 1joq n ASN 119 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1joq h THR 120 N 5.28 1.25 -0.92 5.53 2.02 -1.95 -2.44 112.91 121.68 1joq h THR 120 Ca -0.09 -0.69 -0.60 0.00 0.77 0.00 0.00 66.41 65.80 1joq h THR 120 Cb 1.46 0.20 -0.30 0.00 -1.74 0.00 0.00 68.15 67.77 1joq h THR 120 CO 0.22 0.30 0.54 1.41 0.37 0.00 0.00 175.52 178.36 1joq n HIS 121 N -4.35 2.99 0.03 3.16 8.25 -1.26 -4.57 115.22 119.47 1joq n HIS 121 Ca 0.08 -2.61 -0.20 0.00 -0.26 0.00 0.00 57.72 54.73 1joq n HIS 121 Cb 0.13 -1.15 -0.11 0.00 1.12 0.00 0.00 29.99 29.99 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 1.77 0.64 -0.54 -0.41 4.81 -1.80 -2.52 114.58 116.53 1joq h GLU 122 Ca 0.56 -0.68 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1joq h GLU 122 Cb 1.35 0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.90 1joq h GLU 122 CO 1.31 1.28 0.36 0.37 -0.73 0.00 0.00 179.01 181.59 1joq h GLN 123 N 0.27 0.72 0.09 1.92 4.15 -1.81 0.09 115.11 120.54 1joq h GLN 123 Ca -0.12 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.25 1joq h GLN 123 Cb 1.61 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 29.14 1joq h GLN 123 CO 0.19 0.48 -0.04 1.25 -1.93 0.00 0.00 178.83 178.77 1joq h LEU 124 N 0.74 -0.10 -2.71 -2.39 5.85 -1.89 -2.78 115.31 112.04 1joq h LEU 124 Ca 0.20 -0.49 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 1joq h LEU 124 Cb -0.08 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1joq h LEU 124 CO -0.04 0.53 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.52 1joq h LEU 125 N -0.84 0.00 0.07 2.25 3.38 -1.29 -1.61 115.31 117.28 1joq h LEU 125 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1joq h LEU 125 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1joq h LEU 125 CO 0.02 0.00 -0.04 -0.09 0.09 0.00 0.00 178.44 178.43 1joq h ARG 126 N 0.00 -0.10 -0.19 1.13 2.43 -0.95 -2.49 114.38 114.22 1joq h ARG 126 Ca -0.00 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1joq h ARG 126 Cb 0.08 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1joq h ARG 126 CO 0.00 0.42 0.11 1.57 -1.51 0.00 0.00 179.97 180.56 1joq h LYS 127 N -0.92 0.25 -0.12 0.20 2.10 -1.20 -2.14 116.57 114.74 1joq h LYS 127 Ca -0.01 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.60 1joq h LYS 127 Cb 0.56 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 31.83 1joq h LYS 127 CO 0.02 0.18 -0.00 0.66 -2.00 0.00 0.00 179.45 178.30 1joq h SER 128 N 0.25 0.21 -0.49 7.07 4.64 -1.34 -1.77 113.55 122.13 1joq h SER 128 Ca 0.07 -0.32 0.07 0.00 -0.47 0.00 0.00 61.79 61.14 1joq h SER 128 Cb -0.00 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.00 1joq h SER 128 CO -0.01 0.48 0.33 -0.08 -0.87 0.00 0.00 176.83 176.68 1joq h GLU 129 N -0.06 0.36 -0.09 4.77 4.22 -0.92 0.24 114.58 123.10 1joq h GLU 129 Ca 0.03 -0.02 -0.15 0.00 0.08 0.00 0.00 59.36 59.30 1joq h GLU 129 Cb 0.37 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1joq h GLU 129 CO 0.01 0.24 -0.61 0.00 -2.18 0.00 0.00 179.01 176.47 1joq h ALA 130 N 1.74 0.81 -0.27 2.92 0.00 -1.07 -2.20 119.26 121.18 1joq h ALA 130 Ca 0.22 -0.54 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1joq h ALA 130 Cb 0.38 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1joq h ALA 130 CO -0.05 0.72 -0.08 0.37 0.00 0.00 0.00 179.25 180.21 1joq h GLN 131 N 0.22 0.54 0.00 0.00 5.75 -0.10 -2.33 115.11 119.20 1joq h GLN 131 Ca -0.01 -0.22 -0.05 0.00 -0.15 0.00 0.00 58.65 58.22 1joq h GLN 131 Cb 1.12 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.64 1joq h GLN 131 CO 0.10 0.76 -0.26 0.00 -2.65 0.00 0.00 178.83 176.78 1joq h ALA 132 N 0.77 1.50 0.10 3.38 0.00 -1.28 -1.06 119.26 122.67 1joq h ALA 132 Ca 0.07 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1joq h ALA 132 Cb 0.57 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1joq h ALA 132 CO 0.03 0.32 -0.05 0.87 0.00 0.00 0.00 179.25 180.42 1joq h LYS 133 N 0.00 -0.13 0.00 0.00 1.57 -1.04 0.21 116.57 117.18 1joq h LYS 133 Ca -0.00 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1joq h LYS 133 Cb 0.47 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1joq h LYS 133 CO 0.03 0.16 -0.05 0.87 -0.57 0.00 0.00 179.45 179.90 1joq h LYS 134 N -0.42 0.00 0.00 3.15 1.57 -1.20 -1.75 116.57 117.91 1joq h LYS 134 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1joq h LYS 134 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1joq h LYS 134 CO 0.02 0.05 -0.55 0.39 -0.57 0.00 0.00 179.45 178.79 1joq n GLU 135 N -3.21 0.08 -3.82 3.15 1.02 -0.42 -4.98 120.64 112.46 1joq n GLU 135 Ca -0.00 0.02 -0.29 0.00 -0.02 0.00 0.00 57.16 56.86 1joq n GLU 135 Cb 0.28 -1.54 0.01 0.00 -0.02 0.00 0.00 31.44 30.16 1joq n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1joq n LYS 136 N -1.66 -1.19 -3.45 3.49 5.02 0.71 -4.88 118.16 116.20 1joq n LYS 136 Ca 0.05 0.61 -0.43 0.00 -2.02 0.00 0.00 58.31 56.52 1joq n LYS 136 Cb 0.36 -2.62 -0.08 0.00 -0.02 0.00 0.00 35.03 32.67 1joq n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1joq s LEU 137 N -5.62 5.53 0.00 -0.35 1.43 -1.22 -4.44 118.68 114.01 1joq s LEU 137 Ca 0.15 -1.43 0.00 0.00 -1.03 0.00 0.00 54.13 51.82 1joq s LEU 137 Cb -0.08 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 44.02 1joq s LEU 137 CO 0.91 -0.63 0.00 0.59 0.23 0.00 0.00 176.35 177.45 1joq n ASN 138 N 5.11 0.00 -0.32 2.29 3.02 -1.26 -3.58 115.26 120.52 1joq n ASN 138 Ca -0.12 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.47 1joq n ASN 138 Cb 0.43 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.71 1joq n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1joq h ILE 139 N 0.00 0.10 -0.25 2.41 2.04 -1.88 0.50 117.51 120.43 1joq h ILE 139 Ca 0.00 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.68 1joq h ILE 139 Cb 0.00 0.10 -0.07 0.00 -0.74 0.00 0.00 36.82 36.11 1joq h ILE 139 CO 0.00 0.00 0.09 0.79 0.00 0.00 0.00 178.15 179.03 1joq n TRP 140 N -5.56 0.62 -3.62 1.37 7.02 -1.24 -4.73 117.44 111.30 1joq n TRP 140 Ca 0.13 -1.48 -0.39 0.00 -1.02 0.00 0.00 57.50 54.74 1joq n TRP 140 Cb 0.45 -0.93 -0.08 0.00 -2.42 0.00 0.00 31.31 28.32 1joq n TRP 140 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1joq s SER 141 N 1.29 5.60 0.00 -0.99 0.15 0.18 -3.91 113.70 116.02 1joq s SER 141 Ca 0.28 -2.75 0.00 0.00 0.70 0.00 0.00 55.95 54.17 1joq s SER 141 Cb 0.17 -1.94 0.00 0.00 -1.71 0.00 0.00 66.02 62.54 1joq s SER 141 CO -0.03 -0.43 0.00 -0.62 1.20 0.00 0.00 173.24 173.36 1joq n GLU 142 N 3.69 0.00 -3.89 5.44 1.02 -1.26 -4.99 120.64 120.65 1joq n GLU 142 Ca 0.08 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.86 1joq n GLU 142 Cb 0.40 -0.21 -0.12 0.00 -0.02 0.00 0.00 31.44 31.49 1joq n GLU 142 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1joq s ASP 143 N -3.33 5.18 -0.29 1.62 -1.08 -1.26 -5.04 116.67 112.46 1joq s ASP 143 Ca 0.00 -0.14 0.03 0.00 -0.52 0.00 0.00 52.55 51.92 1joq s ASP 143 Cb 0.00 -1.91 0.20 0.00 -1.46 0.00 0.00 42.92 39.74 1joq s ASP 143 CO 0.00 0.03 0.61 0.20 0.52 0.00 0.00 175.17 176.53 1joq s ASN 144 N 1.21 -1.51 -0.74 -0.34 0.01 -1.26 -5.04 114.94 107.26 1joq s ASN 144 Ca 0.04 0.42 0.01 0.00 -0.71 0.00 0.00 52.86 52.62 1joq s ASN 144 Cb -0.14 2.06 0.36 0.00 0.41 0.00 0.00 41.25 43.93 1joq s ASN 144 CO 0.03 -0.28 1.58 0.00 -1.51 0.00 0.00 177.10 176.93 1joq n ALA 145 N 5.42 5.77 -3.22 0.60 0.00 -1.26 -4.88 120.51 122.94 1joq n ALA 145 Ca 0.03 -4.37 -0.02 0.00 0.00 0.00 0.00 53.44 49.08 1joq n ALA 145 Cb 0.53 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 1joq n ALA 145 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1joq s ASP 146 N -2.13 -0.70 -0.15 0.00 2.15 -1.26 -5.05 116.67 109.53 1joq s ASP 146 Ca 0.48 0.12 -0.15 0.00 0.43 0.00 0.00 52.55 53.42 1joq s ASP 146 Cb 0.35 1.64 -0.05 0.00 -0.30 0.00 0.00 42.92 44.56 1joq s ASP 146 CO -0.25 -0.31 -0.29 -1.20 -0.17 0.00 0.00 175.17 172.95 1joq n SER 147 N 5.39 1.62 0.00 -0.34 7.64 -1.26 -5.12 113.62 121.55 1joq n SER 147 Ca 0.02 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1joq n SER 147 Cb 0.51 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 1joq n SER 147 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1joq n GLY 148 N 1.49 3.33 0.74 0.23 0.00 -1.26 -5.32 105.19 104.41 1joq n GLY 148 Ca -0.12 -0.62 0.09 0.00 0.00 0.00 0.00 46.02 45.38 1joq n GLY 148 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26