#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 0.99 -0.33 0.00 -1.32 -1.26 -5.08 115.64 108.65 1joq s THR 2 Ca 0.00 -1.41 -0.02 0.00 -1.21 0.00 0.00 61.69 59.05 1joq s THR 2 Cb 0.00 -1.13 0.28 0.00 -1.51 0.00 0.00 72.50 70.14 1joq s THR 2 CO 0.00 -0.37 1.27 -1.20 -2.21 0.00 0.00 174.62 172.11 1joq n SER 3 N 1.01 -1.26 0.00 8.08 7.64 -1.26 -5.16 113.62 122.67 1joq n SER 3 Ca -0.19 -1.76 0.00 0.00 1.01 0.00 0.00 58.87 57.92 1joq n SER 3 Cb 0.56 0.76 0.00 0.00 -1.01 0.00 0.00 64.21 64.51 1joq n SER 3 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1joq n THR 4 N 1.36 0.00 -3.37 0.44 5.66 -1.26 -5.09 114.28 112.02 1joq n THR 4 Ca 0.00 0.00 -0.46 0.00 -3.05 0.00 0.00 64.05 60.55 1joq n THR 4 Cb 0.72 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.46 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 -2.00 3.34 0.00 1.09 -2.85 -1.26 -4.93 119.74 113.14 1joq s LYS 5 Ca 0.00 -2.30 0.00 0.00 -1.00 0.00 0.00 55.97 52.67 1joq s LYS 5 Cb 0.00 -4.32 0.00 0.00 -2.06 0.00 0.00 37.83 31.45 1joq s LYS 5 CO 0.00 -1.28 0.12 1.17 0.10 0.00 0.00 175.35 175.46 1joq n LYS 6 N 4.21 0.00 -0.23 1.78 4.81 -1.26 -4.87 118.16 122.60 1joq n LYS 6 Ca 0.07 0.19 -0.23 0.00 -0.87 0.00 0.00 58.31 57.46 1joq n LYS 6 Cb 0.45 -0.77 0.23 0.00 0.02 0.00 0.00 35.03 34.95 1joq n LYS 6 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1joq n LEU 7 N -1.06 0.00 -3.49 3.14 4.77 -1.26 -5.02 117.00 114.08 1joq n LEU 7 Ca 0.00 -0.67 -0.20 0.00 -0.03 0.00 0.00 56.01 55.11 1joq n LEU 7 Cb 0.00 -0.80 -0.13 0.00 -2.33 0.00 0.00 43.42 40.16 1joq n LEU 7 CO 0.00 -2.57 -0.22 -2.28 -1.33 0.00 0.00 177.39 170.99 1joq s HIS 8 N -1.91 -0.22 0.02 -1.77 2.46 -1.26 -5.12 115.29 107.50 1joq s HIS 8 Ca 0.51 0.02 -0.30 0.00 0.47 0.00 0.00 55.06 55.76 1joq s HIS 8 Cb -0.09 -0.45 -0.04 0.00 -0.13 0.00 0.00 32.58 31.87 1joq s HIS 8 CO 0.43 -0.67 1.10 0.15 -2.47 0.00 0.00 174.74 173.28 1joq s LYS 9 N 2.30 4.48 0.42 2.88 1.02 -1.26 -4.54 119.74 125.04 1joq s LYS 9 Ca 0.07 1.60 0.06 0.00 0.02 0.00 0.00 55.97 57.72 1joq s LYS 9 Cb -0.15 -3.42 -0.07 0.00 -0.52 0.00 0.00 37.83 33.67 1joq s LYS 9 CO -0.17 -0.18 0.03 -1.21 -0.92 0.00 0.00 175.35 172.89 1joq s GLU 10 N 1.15 2.01 0.87 1.68 8.01 -0.77 -4.95 118.70 126.71 1joq s GLU 10 Ca 0.55 -2.11 -0.12 0.00 0.01 0.00 0.00 54.97 53.30 1joq s GLU 10 Cb -0.25 -1.67 0.11 0.00 -4.31 0.00 0.00 34.13 28.02 1joq s GLU 10 CO 0.28 -0.09 1.16 -1.25 0.01 0.00 0.00 175.26 175.36 1joq s PRO 11 N -3.75 1.49 0.33 0.39 0.04 -1.26 -0.92 135.00 131.32 1joq s PRO 11 Ca 0.32 0.21 -0.17 0.00 0.04 0.00 0.00 61.00 61.40 1joq s PRO 11 Cb 0.08 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.77 1joq s PRO 11 CO 0.17 -1.94 0.72 0.00 0.04 0.00 0.00 177.00 175.99 1joq s ALA 12 N -3.41 -0.85 -0.06 8.56 0.00 0.27 -4.37 121.76 121.90 1joq s ALA 12 Ca 0.63 -0.60 -0.00 0.00 0.00 0.00 0.00 51.96 51.99 1joq s ALA 12 Cb -0.13 0.80 0.03 0.00 0.00 0.00 0.00 23.12 23.82 1joq s ALA 12 CO 0.51 -0.99 -0.02 0.99 0.00 0.00 0.00 175.76 176.26 1joq s THR 13 N -3.17 0.42 -0.15 0.00 2.01 -0.63 -4.46 115.64 109.66 1joq s THR 13 Ca 0.15 0.02 -0.29 0.00 0.31 0.00 0.00 61.69 61.88 1joq s THR 13 Cb -0.05 -0.52 -0.02 0.00 0.01 0.00 0.00 72.50 71.91 1joq s THR 13 CO 0.10 0.24 1.39 -0.22 -0.69 0.00 0.00 174.62 175.43 1joq s LEU 14 N 1.49 4.17 -0.21 4.42 2.96 -1.26 0.05 118.68 130.30 1joq s LEU 14 Ca -0.02 1.79 -0.17 0.00 -0.22 0.00 0.00 54.13 55.50 1joq s LEU 14 Cb -0.13 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.95 1joq s LEU 14 CO -0.03 -0.87 -0.34 -0.38 -1.32 0.00 0.00 176.35 173.41 1joq n ILE 15 N 5.54 1.51 -3.23 6.68 5.41 -0.46 -4.94 119.36 129.86 1joq n ILE 15 Ca 0.15 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.94 1joq n ILE 15 Cb 0.44 -2.22 -0.02 0.00 -0.71 0.00 0.00 39.64 37.13 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 -2.77 0.45 0.51 0.38 2.20 -0.93 -5.03 119.74 114.54 1joq s LYS 16 Ca -0.31 0.87 -0.18 0.00 -0.36 0.00 0.00 55.97 55.98 1joq s LYS 16 Cb 0.07 0.49 -0.08 0.00 -1.51 0.00 0.00 37.83 36.81 1joq s LYS 16 CO 0.44 -0.42 1.02 0.00 -0.36 0.00 0.00 175.35 176.03 1joq s ALA 17 N 2.85 2.90 0.01 3.13 0.00 -1.26 -2.33 121.76 127.06 1joq s ALA 17 Ca 0.10 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1joq s ALA 17 Cb -0.13 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1joq s ALA 17 CO -0.18 -0.35 0.00 -0.89 0.00 0.00 0.00 175.76 174.34 1joq n ILE 18 N -1.30 0.05 -3.70 0.00 5.41 -0.56 -4.92 119.36 114.34 1joq n ILE 18 Ca 0.08 0.02 -0.23 0.00 1.00 0.00 0.00 62.75 63.62 1joq n ILE 18 Cb 0.53 -0.78 -0.03 0.00 -0.71 0.00 0.00 39.64 38.65 1joq n ILE 18 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1joq s ASP 19 N -4.81 4.85 0.50 4.38 1.01 -0.59 -4.87 116.67 117.14 1joq s ASP 19 Ca 0.00 -0.93 0.19 0.00 0.71 0.00 0.00 52.55 52.53 1joq s ASP 19 Cb 0.00 -0.26 1.26 0.00 1.01 0.00 0.00 42.92 44.92 1joq s ASP 19 CO 0.00 -0.79 2.07 1.23 0.21 0.00 0.00 175.17 177.90 1joq h GLY 20 N 0.97 0.00 -1.31 0.21 0.00 -1.73 -2.44 103.07 98.77 1joq h GLY 20 Ca -0.40 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 1joq h GLY 20 CO 0.58 0.00 -0.42 1.22 0.00 0.00 0.00 176.54 177.92 1joq n ASP 21 N -4.16 1.98 -3.45 0.19 9.92 -1.26 -4.61 116.55 115.16 1joq n ASP 21 Ca -0.03 -3.88 -0.10 0.00 -0.53 0.00 0.00 54.79 50.25 1joq n ASP 21 Cb 0.19 -0.55 -0.09 0.00 -0.64 0.00 0.00 41.12 40.03 1joq n ASP 21 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1joq s THR 22 N -3.29 -0.56 -0.07 -3.53 2.01 -0.92 -3.11 115.64 106.16 1joq s THR 22 Ca 0.40 -0.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.36 1joq s THR 22 Cb 0.38 -0.74 0.04 0.00 0.01 0.00 0.00 72.50 72.19 1joq s THR 22 CO -0.05 -0.08 0.17 0.68 -0.69 0.00 0.00 174.62 174.65 1joq s VAL 23 N 2.52 -0.04 -0.24 3.82 -7.23 -0.96 -1.50 120.40 116.78 1joq s VAL 23 Ca 0.09 0.14 -0.23 0.00 -1.81 0.00 0.00 61.98 60.16 1joq s VAL 23 Cb -0.15 -0.27 -0.01 0.00 0.56 0.00 0.00 36.38 36.51 1joq s VAL 23 CO -0.14 0.06 0.76 -0.54 -0.31 0.00 0.00 175.10 174.92 1joq s LYS 24 N 1.00 4.17 0.00 4.82 1.02 -0.99 -1.56 119.74 128.20 1joq s LYS 24 Ca -0.08 0.81 0.00 0.00 0.02 0.00 0.00 55.97 56.72 1joq s LYS 24 Cb -0.09 -3.64 0.00 0.00 -0.52 0.00 0.00 37.83 33.58 1joq s LYS 24 CO -0.05 -0.45 0.00 1.28 -0.92 0.00 0.00 175.35 175.21 1joq n LEU 25 N 5.78 0.00 -4.06 3.17 4.77 -0.94 -1.36 117.00 124.36 1joq n LEU 25 Ca 0.03 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.76 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 0.46 0.00 -0.48 -0.32 -1.33 0.00 0.00 177.39 175.72 1joq s MET 26 N -0.63 1.72 -0.20 3.23 1.75 0.11 -2.36 119.30 122.93 1joq s MET 26 Ca 0.00 -0.48 0.01 0.00 -1.25 0.00 0.00 55.69 53.97 1joq s MET 26 Cb 0.00 -1.44 0.04 0.00 2.84 0.00 0.00 34.83 36.27 1joq s MET 26 CO 0.00 0.10 -0.10 -0.47 -0.65 0.00 0.00 175.02 173.90 1joq s TYR 27 N 0.44 2.36 -1.51 4.11 5.04 -0.64 -1.60 117.35 125.55 1joq s TYR 27 Ca -0.11 -1.55 0.00 0.00 -2.44 0.00 0.00 57.07 52.97 1joq s TYR 27 Cb -0.14 -1.62 0.00 0.00 0.35 0.00 0.00 41.96 40.55 1joq s TYR 27 CO 0.03 -0.73 0.00 1.63 -1.34 0.00 0.00 175.55 175.14 1joq n LYS 28 N 4.70 -1.56 -0.44 4.97 5.02 -1.26 -0.95 118.16 128.64 1joq n LYS 28 Ca -0.15 0.95 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 1joq n LYS 28 Cb 0.47 -5.29 0.00 0.00 -0.02 0.00 0.00 35.03 30.19 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 -0.04 1.62 2.89 0.72 0.00 -1.26 -5.07 105.19 104.04 1joq n GLY 29 Ca -0.14 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.63 1.36 -0.44 1.61 0.74 -0.13 -5.08 119.66 116.09 1joq s GLN 30 Ca 0.00 -0.92 -0.28 0.00 0.05 0.00 0.00 55.36 54.21 1joq s GLN 30 Cb 0.00 -2.48 0.00 0.00 1.10 0.00 0.00 33.01 31.63 1joq s GLN 30 CO 0.00 -0.65 1.55 -1.25 -0.55 0.00 0.00 175.29 174.39 1joq s PRO 31 N 1.48 3.37 0.01 1.67 0.04 -1.26 -1.62 135.00 138.70 1joq s PRO 31 Ca -0.03 0.92 -0.03 0.00 0.04 0.00 0.00 61.00 61.90 1joq s PRO 31 Cb -0.18 -4.12 -0.01 0.00 0.04 0.00 0.00 34.50 30.22 1joq s PRO 31 CO -0.08 -1.82 0.04 -1.64 0.04 0.00 0.00 177.00 173.53 1joq s MET 32 N 5.43 0.37 0.38 4.56 -1.94 -1.00 -4.99 119.30 122.11 1joq s MET 32 Ca 0.64 -0.52 -0.23 0.00 -1.71 0.00 0.00 55.69 53.87 1joq s MET 32 Cb -0.15 0.14 -0.10 0.00 2.01 0.00 0.00 34.83 36.73 1joq s MET 32 CO 0.30 -0.07 0.96 0.95 -0.01 0.00 0.00 175.02 177.14 1joq s THR 33 N -1.41 4.25 0.15 2.05 -4.23 -1.26 -2.22 115.64 112.97 1joq s THR 33 Ca -0.15 1.63 0.08 0.00 -1.18 0.00 0.00 61.69 62.06 1joq s THR 33 Cb -0.09 -3.79 -0.04 0.00 1.34 0.00 0.00 72.50 69.92 1joq s THR 33 CO 0.00 -0.09 -0.17 -0.36 -0.54 0.00 0.00 174.62 173.46 1joq s PHE 34 N -1.88 1.69 -0.08 3.99 0.08 -0.60 -2.09 117.98 119.09 1joq s PHE 34 Ca 0.56 -0.49 -0.01 0.00 0.12 0.00 0.00 56.93 57.12 1joq s PHE 34 Cb -0.14 -0.86 0.03 0.00 -0.57 0.00 0.00 43.02 41.47 1joq s PHE 34 CO 0.19 0.26 -0.02 0.50 -0.10 0.00 0.00 175.22 176.05 1joq s ARG 35 N -2.68 0.86 0.19 0.44 6.06 -1.01 -2.27 118.95 120.54 1joq s ARG 35 Ca 0.13 -0.01 -0.31 0.00 -2.50 0.00 0.00 55.73 53.03 1joq s ARG 35 Cb -0.06 -1.08 -0.16 0.00 0.06 0.00 0.00 34.95 33.71 1joq s ARG 35 CO 0.05 -0.25 0.99 1.28 -2.50 0.00 0.00 175.30 174.87 1joq n LEU 36 N 4.89 0.91 -4.93 -0.88 4.77 -1.18 -4.26 117.00 116.31 1joq n LEU 36 Ca -0.12 1.15 -0.25 0.00 -0.03 0.00 0.00 56.01 56.76 1joq n LEU 36 Cb 0.50 -1.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 1joq n LEU 36 CO 0.14 -1.71 0.32 -0.76 -1.33 0.00 0.00 177.39 174.05 1joq s LEU 37 N 1.01 3.75 -1.17 2.23 1.43 -1.26 -4.07 118.68 120.60 1joq s LEU 37 Ca 0.70 0.60 0.00 0.00 -1.03 0.00 0.00 54.13 54.39 1joq s LEU 37 Cb -0.87 -3.49 0.00 0.00 0.03 0.00 0.00 46.19 41.86 1joq s LEU 37 CO 0.55 -0.54 0.00 0.18 0.23 0.00 0.00 176.35 176.78 1joq n LEU 38 N -2.07 -0.46 -4.21 1.79 4.77 -1.23 -4.91 117.00 110.68 1joq n LEU 38 Ca -0.01 0.27 -0.12 0.00 -0.03 0.00 0.00 56.01 56.12 1joq n LEU 38 Cb 0.56 -2.42 -0.10 0.00 -2.33 0.00 0.00 43.42 39.13 1joq n LEU 38 CO 0.50 -0.91 -0.24 0.68 -1.33 0.00 0.00 177.39 176.09 1joq s VAL 39 N -1.88 0.05 -0.16 4.08 -7.23 -1.13 -2.29 120.40 111.84 1joq s VAL 39 Ca 0.00 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.12 1joq s VAL 39 Cb 0.00 -2.50 0.08 0.00 0.56 0.00 0.00 36.38 34.52 1joq s VAL 39 CO 0.00 -0.01 0.34 -0.62 -0.31 0.00 0.00 175.10 174.49 1joq s ASP 40 N -3.17 0.08 0.23 4.85 2.15 0.30 -4.57 116.67 116.53 1joq s ASP 40 Ca 0.39 0.77 -0.16 0.00 0.43 0.00 0.00 52.55 53.98 1joq s ASP 40 Cb 0.07 1.01 -0.08 0.00 -0.30 0.00 0.00 42.92 43.62 1joq s ASP 40 CO 0.12 -0.24 0.65 0.28 -0.17 0.00 0.00 175.17 175.82 1joq s THR 41 N 2.51 4.72 0.07 1.71 -1.32 -1.26 -1.79 115.64 120.29 1joq s THR 41 Ca 0.00 0.97 -0.30 0.00 -1.21 0.00 0.00 61.69 61.14 1joq s THR 41 Cb -0.12 -3.73 -0.06 0.00 -1.51 0.00 0.00 72.50 67.08 1joq s THR 41 CO -0.11 0.08 1.17 -2.16 -2.21 0.00 0.00 174.62 171.40 1joq s PRO 42 N -2.33 4.46 0.49 7.08 0.04 -1.26 -4.98 135.00 138.50 1joq s PRO 42 Ca 0.45 1.74 -0.20 0.00 0.04 0.00 0.00 61.00 63.03 1joq s PRO 42 Cb -0.14 -3.35 -0.11 0.00 0.04 0.00 0.00 34.50 30.94 1joq s PRO 42 CO 0.20 -0.21 0.48 -1.91 0.04 0.00 0.00 177.00 175.60 1joq n GLU 43 N 3.78 0.51 -0.03 4.56 2.13 -1.26 -4.90 120.64 125.43 1joq n GLU 43 Ca 0.08 0.19 0.00 0.00 0.66 0.00 0.00 57.16 58.10 1joq n GLU 43 Cb 0.47 -1.55 0.00 0.00 0.27 0.00 0.00 31.44 30.63 1joq n GLU 43 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1joq n THR 44 N -1.27 0.35 -3.03 6.31 -2.24 -1.26 -4.81 114.28 108.32 1joq n THR 44 Ca 0.11 -0.36 -0.28 0.00 -2.27 0.00 0.00 64.05 61.25 1joq n THR 44 Cb 0.44 0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 69.41 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 -0.19 3.23 -3.38 -0.78 5.02 -1.26 -4.68 118.16 116.13 1joq n LYS 45 Ca 0.00 -4.81 -0.36 0.00 -2.02 0.00 0.00 58.31 51.13 1joq n LYS 45 Cb 0.44 -2.26 -0.06 0.00 -0.02 0.00 0.00 35.03 33.13 1joq n LYS 45 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1joq s HIS 46 N -3.29 3.63 -1.13 2.13 3.76 -1.26 -5.00 115.29 114.13 1joq s HIS 46 Ca 0.46 1.04 -0.20 0.00 -0.15 0.00 0.00 55.06 56.22 1joq s HIS 46 Cb 0.24 -2.35 0.08 0.00 1.11 0.00 0.00 32.58 31.66 1joq s HIS 46 CO -0.10 0.46 1.50 -1.25 -0.85 0.00 0.00 174.74 174.50 1joq s PRO 47 N -1.84 3.79 0.00 8.40 0.04 -1.26 -4.34 135.00 139.80 1joq s PRO 47 Ca 0.36 -1.69 0.00 0.00 0.04 0.00 0.00 61.00 59.70 1joq s PRO 47 Cb -0.15 -5.32 0.00 0.00 0.04 0.00 0.00 34.50 29.06 1joq s PRO 47 CO 0.19 -2.11 0.00 0.36 0.04 0.00 0.00 177.00 175.48 1joq n LYS 48 N 7.99 0.00 -3.39 4.56 2.85 -1.26 -5.00 118.16 123.90 1joq n LYS 48 Ca 0.38 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.47 1joq n LYS 48 Cb 0.48 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.89 1joq n LYS 48 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1joq n LYS 49 N 0.00 -1.54 -0.38 -1.58 4.01 -1.26 -4.65 118.16 112.77 1joq n LYS 49 Ca 0.00 0.93 0.05 0.00 -0.51 0.00 0.00 58.31 58.78 1joq n LYS 49 Cb 0.00 -4.82 -0.01 0.00 -0.51 0.00 0.00 35.03 29.68 1joq n LYS 49 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1joq n GLY 50 N -1.60 -1.68 3.64 0.72 0.00 -1.26 -4.88 105.19 100.13 1joq n GLY 50 Ca -0.09 -1.23 -0.25 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.75 3.49 0.01 1.61 1.01 -1.26 -4.72 120.40 119.80 1joq s VAL 51 Ca 0.00 -1.73 0.04 0.00 0.00 0.00 0.00 61.98 60.29 1joq s VAL 51 Cb 0.00 -2.81 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 1joq s VAL 51 CO 0.00 -0.25 -0.13 -1.83 0.00 0.00 0.00 175.10 172.89 1joq s GLU 52 N -3.32 0.94 -0.06 2.72 -1.05 -1.26 -4.63 118.70 112.04 1joq s GLU 52 Ca 0.29 -0.58 -0.01 0.00 -0.15 0.00 0.00 54.97 54.53 1joq s GLU 52 Cb -0.08 -0.92 0.00 0.00 -0.44 0.00 0.00 34.13 32.70 1joq s GLU 52 CO 0.19 0.24 0.02 1.17 0.95 0.00 0.00 175.26 177.82 1joq n LYS 53 N 2.37 -0.87 -1.32 -4.83 3.00 -1.26 -4.46 118.16 110.79 1joq n LYS 53 Ca -0.16 1.07 -0.08 0.00 -0.00 0.00 0.00 58.31 59.14 1joq n LYS 53 Cb 0.55 -1.98 -0.03 0.00 0.00 0.00 0.00 35.03 33.58 1joq n LYS 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1joq n TYR 54 N 0.22 -0.04 0.00 5.64 4.01 -1.26 -4.97 117.16 120.77 1joq n TYR 54 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1joq n TYR 54 Cb 0.04 -1.67 0.00 0.00 -0.31 0.00 0.00 39.34 37.41 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 -1.93 0.94 3.23 2.72 0.00 -1.26 -4.53 105.19 104.36 1joq n GLY 55 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.01 3.14 0.05 1.61 -0.04 -1.26 -4.42 135.00 134.07 1joq n PRO 56 Ca 0.00 -3.14 0.00 0.00 -0.04 0.00 0.00 63.50 60.32 1joq n PRO 56 Cb 0.00 -3.33 0.00 0.00 -0.04 0.00 0.00 33.50 30.13 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 6.96 0.00 0.08 0.54 1.02 -1.26 -4.83 120.64 123.15 1joq n GLU 57 Ca 0.48 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.61 1joq n GLU 57 Cb 0.43 0.00 0.27 0.00 -0.02 0.00 0.00 31.44 32.11 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 0.00 1.23 0.10 0.62 0.00 -1.85 -0.90 119.26 118.46 1joq h ALA 58 Ca 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1joq h ALA 58 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1joq h ALA 58 CO 0.00 0.51 -0.12 0.77 0.00 0.00 0.00 179.25 180.40 1joq h SER 59 N 0.28 -0.34 0.99 0.00 0.02 -1.86 -2.12 113.55 110.52 1joq h SER 59 Ca 0.04 0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 1joq h SER 59 Cb 0.63 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 1joq h SER 59 CO 0.05 -0.19 -0.38 0.00 -1.14 0.00 0.00 176.83 175.17 1joq h ALA 60 N 0.61 0.93 0.39 3.77 0.00 -1.85 -2.46 119.26 120.64 1joq h ALA 60 Ca 0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1joq h ALA 60 Cb 0.26 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1joq h ALA 60 CO -0.05 0.47 -0.30 0.35 0.00 0.00 0.00 179.25 179.72 1joq h PHE 61 N 0.00 -0.81 -0.15 0.00 3.57 -0.49 -1.77 116.94 117.28 1joq h PHE 61 Ca -0.00 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 1joq h PHE 61 Cb 0.97 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 40.00 1joq h PHE 61 CO 0.00 -0.42 -0.30 1.15 -2.23 0.00 0.00 178.31 176.51 1joq h THR 62 N -0.66 1.26 0.07 4.41 2.02 -1.56 -1.90 112.91 116.56 1joq h THR 62 Ca -0.05 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 65.87 1joq h THR 62 Cb 0.55 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1joq h THR 62 CO 0.01 0.38 -0.15 0.50 0.37 0.00 0.00 175.52 176.63 1joq h LYS 63 N 0.25 -0.24 -0.54 6.66 3.64 -1.18 -1.88 116.57 123.28 1joq h LYS 63 Ca 0.04 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1joq h LYS 63 Cb 0.66 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 1joq h LYS 63 CO 0.05 -0.16 0.19 -0.22 -2.27 0.00 0.00 179.45 177.04 1joq h LYS 64 N -0.25 0.79 0.00 1.90 1.63 -1.37 -1.24 116.57 118.03 1joq h LYS 64 Ca -0.01 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 1joq h LYS 64 Cb 0.23 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1joq h LYS 64 CO -0.06 0.67 0.00 -0.12 -3.45 0.00 0.00 179.45 176.49 1joq n MET 65 N -4.32 0.00 0.26 1.90 1.56 -0.71 -1.24 117.12 114.57 1joq n MET 65 Ca 0.04 0.33 0.18 0.00 -0.27 0.00 0.00 57.70 57.98 1joq n MET 65 Cb 0.18 -1.10 0.95 0.00 2.15 0.00 0.00 33.22 35.40 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 0.00 -0.26 1.12 -1.51 -1.43 -1.17 116.25 113.00 1joq h VAL 66 Ca 0.00 -0.01 -0.11 0.00 -1.23 0.00 0.00 66.70 65.35 1joq h VAL 66 Cb 0.00 0.80 -0.01 0.00 -2.13 0.00 0.00 31.29 29.94 1joq h VAL 66 CO 0.00 0.00 -0.29 -0.33 -1.23 0.00 0.00 177.57 175.72 1joq h GLU 67 N 0.00 0.53 0.00 5.19 5.08 -0.37 -3.02 114.58 121.99 1joq h GLU 67 Ca 0.00 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1joq h GLU 67 Cb 0.01 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1joq h GLU 67 CO 0.00 0.77 -1.32 0.09 -1.00 0.00 0.00 179.01 177.55 1joq n ASN 68 N -4.09 0.61 -4.70 1.42 3.02 -0.37 -4.93 115.26 106.22 1joq n ASN 68 Ca -0.01 -0.55 -0.55 0.00 -0.03 0.00 0.00 54.58 53.45 1joq n ASN 68 Cb 0.44 1.28 -0.06 0.00 -0.61 0.00 0.00 39.78 40.83 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 -1.79 0.18 0.22 5.41 0.00 -0.58 -4.80 120.51 119.14 1joq n ALA 69 Ca 0.01 0.34 0.08 0.00 0.00 0.00 0.00 53.44 53.88 1joq n ALA 69 Cb 0.42 -2.32 0.51 0.00 0.00 0.00 0.00 19.45 18.07 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 7.99 0.00 -3.34 0.00 1.79 -1.92 -3.42 116.57 117.68 1joq h LYS 70 Ca -0.47 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 57.72 1joq h LYS 70 Cb 1.30 0.00 -0.34 0.00 -1.58 0.00 0.00 32.23 31.62 1joq h LYS 70 CO 0.96 0.25 -0.67 0.15 -1.08 0.00 0.00 179.45 179.07 1joq s LYS 71 N -3.99 0.02 -0.20 3.15 1.02 -1.26 -5.05 119.74 113.42 1joq s LYS 71 Ca -0.02 0.32 -0.01 0.00 0.02 0.00 0.00 55.97 56.29 1joq s LYS 71 Cb 0.13 -0.25 0.01 0.00 -0.52 0.00 0.00 37.83 37.20 1joq s LYS 71 CO 0.65 -0.20 -0.12 0.42 -0.92 0.00 0.00 175.35 175.18 1joq s ILE 72 N 1.35 2.66 0.15 2.17 1.01 -1.26 -3.65 121.20 123.62 1joq s ILE 72 Ca -0.07 -0.79 0.09 0.00 0.00 0.00 0.00 60.65 59.89 1joq s ILE 72 Cb -0.12 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 1joq s ILE 72 CO -0.05 0.45 -0.21 -1.61 0.00 0.00 0.00 174.94 173.52 1joq s GLU 73 N 1.36 1.28 0.05 2.79 2.02 -1.05 0.97 118.70 126.12 1joq s GLU 73 Ca 0.05 -1.34 0.09 0.00 0.02 0.00 0.00 54.97 53.78 1joq s GLU 73 Cb -0.14 -1.50 -0.03 0.00 0.10 0.00 0.00 34.13 32.56 1joq s GLU 73 CO -0.08 0.33 -0.23 0.14 0.02 0.00 0.00 175.26 175.43 1joq s VAL 74 N -1.58 2.38 -0.31 2.63 -7.23 -0.09 -1.83 120.40 114.37 1joq s VAL 74 Ca 0.13 -1.33 0.02 0.00 -1.81 0.00 0.00 61.98 59.00 1joq s VAL 74 Cb -0.08 -1.96 0.09 0.00 0.56 0.00 0.00 36.38 34.99 1joq s VAL 74 CO 0.06 0.35 0.03 -0.70 -0.31 0.00 0.00 175.10 174.53 1joq s GLU 75 N -1.34 1.36 0.14 4.82 2.12 -0.76 -1.85 118.70 123.19 1joq s GLU 75 Ca 0.13 -1.48 -0.30 0.00 0.36 0.00 0.00 54.97 53.67 1joq s GLU 75 Cb -0.10 -2.77 -0.07 0.00 0.26 0.00 0.00 34.13 31.45 1joq s GLU 75 CO 0.03 -0.87 1.25 -0.06 -0.54 0.00 0.00 175.26 175.07 1joq s PHE 76 N 1.18 3.38 0.00 5.30 0.08 -1.26 -1.91 117.98 124.74 1joq s PHE 76 Ca 0.06 1.27 0.00 0.00 0.12 0.00 0.00 56.93 58.39 1joq s PHE 76 Cb -0.19 -3.50 0.00 0.00 -0.57 0.00 0.00 43.02 38.77 1joq s PHE 76 CO -0.12 -1.53 0.00 -3.47 -0.10 0.00 0.00 175.22 170.00 1joq n ASP 77 N 3.22 -0.72 0.16 1.36 2.03 -1.26 -4.68 116.55 116.65 1joq n ASP 77 Ca 0.07 -0.35 0.11 0.00 0.52 0.00 0.00 54.79 55.15 1joq n ASP 77 Cb 0.44 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.92 1joq n ASP 77 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1joq h LYS 78 N 0.00 0.00 0.00 -0.67 -0.00 -1.96 -3.46 116.57 110.49 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 0.01 0.00 0.41 -0.00 0.00 0.00 179.45 179.87 1joq n GLY 79 N 1.15 -0.89 3.80 0.07 0.00 -1.26 -4.97 105.19 103.08 1joq n GLY 79 Ca 0.02 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 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 1.09 0.00 1.61 -0.21 -1.26 -4.98 119.66 115.91 1joq s GLN 80 Ca 0.00 0.21 0.17 0.00 0.02 0.00 0.00 55.36 55.75 1joq s GLN 80 Cb 0.00 -1.84 -0.10 0.00 1.00 0.00 0.00 33.01 32.07 1joq s GLN 80 CO 0.00 -2.22 0.78 0.54 -2.12 0.00 0.00 175.29 172.28 1joq n ARG 81 N -3.76 1.64 -3.81 2.91 1.74 -1.26 -4.72 116.66 109.41 1joq n ARG 81 Ca 0.08 -0.39 -0.12 0.00 -0.77 0.00 0.00 57.85 56.64 1joq n ARG 81 Cb 0.59 -1.28 -0.09 0.00 -1.02 0.00 0.00 32.46 30.66 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 -2.27 0.07 0.00 0.55 -4.23 -1.26 -1.56 115.64 106.93 1joq s THR 82 Ca 0.10 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 60.06 1joq s THR 82 Cb 0.13 -0.53 0.00 0.00 1.34 0.00 0.00 72.50 73.44 1joq s THR 82 CO 0.55 -0.30 0.00 0.47 -0.54 0.00 0.00 174.62 174.80 1joq n ASP 83 N 1.40 0.00 0.00 3.99 8.00 -0.96 -4.87 116.55 124.11 1joq n ASP 83 Ca -0.22 -0.56 0.08 0.00 0.71 0.00 0.00 54.79 54.80 1joq n ASP 83 Cb 0.56 0.00 0.44 0.00 -0.02 0.00 0.00 41.12 42.10 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 -0.56 0.26 0.00 -1.24 2.85 -1.26 -1.83 118.16 116.38 1joq n LYS 84 Ca 0.00 0.12 0.11 0.00 -1.05 0.00 0.00 58.31 57.49 1joq n LYS 84 Cb 0.00 -1.50 0.07 0.00 -0.65 0.00 0.00 35.03 32.95 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 -1.27 0.00 -0.06 5.58 4.02 -1.26 -4.93 117.16 119.25 1joq n TYR 85 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 1joq n TYR 85 Cb 0.13 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 1joq n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1joq n GLY 86 N 1.47 1.79 3.77 2.72 0.00 -0.76 -5.02 105.19 109.16 1joq n GLY 86 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.37 3.54 -0.02 1.61 0.52 -1.26 -4.72 118.95 118.25 1joq s ARG 87 Ca 0.00 1.82 -0.21 0.00 -0.52 0.00 0.00 55.73 56.82 1joq s ARG 87 Cb 0.00 -2.29 -0.05 0.00 0.52 0.00 0.00 34.95 33.14 1joq s ARG 87 CO 0.00 -0.74 0.63 0.20 0.02 0.00 0.00 175.30 175.41 1joq s GLY 88 N -1.38 2.62 -0.20 -3.53 0.00 -0.89 -2.26 107.32 101.68 1joq s GLY 88 Ca 0.67 0.07 -0.04 0.00 0.00 0.00 0.00 44.72 45.42 1joq s GLY 88 CO 0.35 0.88 -0.03 1.08 0.00 0.00 0.00 173.10 175.38 1joq s LEU 89 N 0.08 3.02 -0.09 0.66 1.43 -0.60 -2.41 118.68 120.77 1joq s LEU 89 Ca 0.33 -0.31 -0.30 0.00 -1.03 0.00 0.00 54.13 52.81 1joq s LEU 89 Cb -0.18 -1.76 0.12 0.00 0.03 0.00 0.00 46.19 44.40 1joq s LEU 89 CO 0.18 0.03 0.97 0.00 0.23 0.00 0.00 176.35 177.76 1joq s ALA 90 N 1.19 -1.90 -0.24 4.21 0.00 -1.26 -4.44 121.76 119.32 1joq s ALA 90 Ca 0.02 1.31 -0.29 0.00 0.00 0.00 0.00 51.96 53.00 1joq s ALA 90 Cb -0.14 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.91 1joq s ALA 90 CO -0.00 -0.54 1.19 0.71 0.00 0.00 0.00 175.76 177.12 1joq s TYR 91 N -2.30 2.97 0.15 0.00 2.02 -0.80 -4.26 117.35 115.12 1joq s TYR 91 Ca 0.03 1.10 -0.22 0.00 -0.37 0.00 0.00 57.07 57.62 1joq s TYR 91 Cb -0.01 -3.59 -0.08 0.00 -0.40 0.00 0.00 41.96 37.88 1joq s TYR 91 CO -0.05 -1.28 0.70 0.42 -1.57 0.00 0.00 175.55 173.78 1joq s ILE 92 N 3.69 4.53 -0.03 2.71 1.01 -1.26 -1.83 121.20 130.01 1joq s ILE 92 Ca 0.51 1.45 0.03 0.00 0.00 0.00 0.00 60.65 62.64 1joq s ILE 92 Cb -0.17 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.30 1joq s ILE 92 CO 0.15 0.45 -0.12 -0.31 0.00 0.00 0.00 174.94 175.12 1joq s TYR 93 N -1.23 1.22 -0.03 3.97 1.51 -0.76 -1.37 117.35 120.66 1joq s TYR 93 Ca 0.35 -0.33 0.02 0.00 -1.01 0.00 0.00 57.07 56.10 1joq s TYR 93 Cb -0.20 -0.85 0.01 0.00 -0.11 0.00 0.00 41.96 40.80 1joq s TYR 93 CO 0.23 -0.13 -0.07 0.00 -1.11 0.00 0.00 175.55 174.46 1joq s ALA 94 N 0.18 0.78 0.00 3.71 0.00 -0.46 -2.53 121.76 123.44 1joq s ALA 94 Ca -0.04 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1joq s ALA 94 Cb -0.10 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.67 1joq s ALA 94 CO 0.01 0.08 0.00 -0.25 0.00 0.00 0.00 175.76 175.61 1joq n ASP 95 N 3.56 -4.73 0.00 0.00 8.00 -1.24 -1.57 116.55 120.57 1joq n ASP 95 Ca -0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.29 1joq n ASP 95 Cb 0.53 -2.38 0.00 0.00 -0.02 0.00 0.00 41.12 39.26 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 -0.52 0.75 3.33 0.44 0.00 -1.26 -5.07 105.19 102.86 1joq n GLY 96 Ca 0.00 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.24 1.27 -0.63 1.61 2.20 -0.61 -5.08 119.74 117.26 1joq s LYS 97 Ca 0.00 -1.40 -0.26 0.00 -0.36 0.00 0.00 55.97 53.95 1joq s LYS 97 Cb 0.00 -1.33 0.04 0.00 -1.51 0.00 0.00 37.83 35.03 1joq s LYS 97 CO 0.00 0.27 1.12 1.41 -0.36 0.00 0.00 175.35 177.79 1joq s MET 98 N -2.75 3.32 0.37 4.03 -2.45 -1.26 -1.35 119.30 119.20 1joq s MET 98 Ca 0.15 -0.18 0.17 0.00 -1.25 0.00 0.00 55.69 54.58 1joq s MET 98 Cb -0.06 -4.10 1.09 0.00 1.25 0.00 0.00 34.83 33.01 1joq s MET 98 CO 0.06 -1.78 1.72 0.28 1.05 0.00 0.00 175.02 176.36 1joq h VAL 99 N 6.06 0.44 0.61 10.11 2.07 -1.56 -0.69 116.25 133.29 1joq h VAL 99 Ca -0.27 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1joq h VAL 99 Cb 1.06 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1joq h VAL 99 CO 1.19 0.07 -0.47 0.78 0.02 0.00 0.00 177.57 179.16 1joq h ASN 100 N 0.39 -1.23 -0.03 0.57 4.21 -1.90 -0.89 115.58 116.69 1joq h ASN 100 Ca 0.66 0.09 0.01 0.00 1.21 0.00 0.00 56.30 58.26 1joq h ASN 100 Cb 1.60 0.38 -0.00 0.00 -1.12 0.00 0.00 38.32 39.19 1joq h ASN 100 CO -0.41 -0.67 0.06 -0.08 -1.29 0.00 0.00 177.43 175.04 1joq h GLU 101 N -1.05 0.00 0.17 0.81 4.81 -1.55 -2.29 114.58 115.49 1joq h GLU 101 Ca -0.08 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1joq h GLU 101 Cb 0.88 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1joq h GLU 101 CO 0.02 0.00 -0.08 0.00 -0.73 0.00 0.00 179.01 178.21 1joq h ALA 102 N 1.92 -0.23 -0.49 2.92 0.00 -0.16 -1.37 119.26 121.84 1joq h ALA 102 Ca 0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1joq h ALA 102 Cb 0.13 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1joq h ALA 102 CO -0.00 -0.44 0.29 -0.07 0.00 0.00 0.00 179.25 179.03 1joq h LEU 103 N -0.62 0.58 -0.88 0.00 3.38 -0.80 -1.42 115.31 115.56 1joq h LEU 103 Ca -0.02 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 1joq h LEU 103 Cb 0.46 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1joq h LEU 103 CO 0.04 0.46 -0.31 0.58 0.09 0.00 0.00 178.44 179.30 1joq h VAL 104 N 0.67 1.28 -0.69 1.22 2.07 -1.34 -2.00 116.25 117.46 1joq h VAL 104 Ca 0.18 -1.37 -0.07 0.00 0.82 0.00 0.00 66.70 66.25 1joq h VAL 104 Cb -0.01 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1joq h VAL 104 CO -0.03 0.43 0.14 -0.09 0.02 0.00 0.00 177.57 178.04 1joq h ARG 105 N 0.40 1.12 -0.03 1.57 2.43 -0.15 -1.51 114.38 118.21 1joq h ARG 105 Ca 0.05 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1joq h ARG 105 Cb 0.74 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1joq h ARG 105 CO 0.06 1.00 0.00 0.94 -1.51 0.00 0.00 179.97 180.46 1joq n GLN 106 N -4.22 1.17 -3.75 0.20 7.27 -1.00 -4.87 117.38 112.17 1joq n GLN 106 Ca 0.05 -0.25 -0.24 0.00 0.07 0.00 0.00 57.00 56.63 1joq n GLN 106 Cb 0.28 -1.37 0.03 0.00 2.41 0.00 0.00 30.24 31.59 1joq n GLN 106 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1joq n GLY 107 N 0.92 -0.37 0.04 1.69 0.00 -0.57 -4.64 105.19 102.27 1joq n GLY 107 Ca 0.17 0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.33 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 -4.43 0.00 -4.76 0.99 4.77 -0.80 -3.41 117.00 109.36 1joq n LEU 108 Ca -0.18 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.52 1joq n LEU 108 Cb 0.62 0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.82 1joq n LEU 108 CO 0.70 0.17 -0.17 0.00 -1.33 0.00 0.00 177.39 176.76 1joq s ALA 109 N -2.51 3.86 0.29 -1.18 0.00 -1.24 -4.65 121.76 116.33 1joq s ALA 109 Ca -0.05 -1.42 0.11 0.00 0.00 0.00 0.00 51.96 50.60 1joq s ALA 109 Cb 0.05 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 1joq s ALA 109 CO 0.49 -0.17 -0.13 0.15 0.00 0.00 0.00 175.76 176.10 1joq s LYS 110 N -3.94 1.87 -0.25 0.00 1.02 -0.74 -4.79 119.74 112.90 1joq s LYS 110 Ca 0.27 -1.70 -0.12 0.00 0.02 0.00 0.00 55.97 54.45 1joq s LYS 110 Cb 0.03 -1.87 -0.05 0.00 -0.52 0.00 0.00 37.83 35.42 1joq s LYS 110 CO 0.15 0.31 0.22 0.54 -0.92 0.00 0.00 175.35 175.66 1joq s VAL 111 N -2.47 5.30 0.00 3.17 0.11 -1.26 -0.54 120.40 124.71 1joq s VAL 111 Ca 0.31 0.29 0.00 0.00 -2.93 0.00 0.00 61.98 59.65 1joq s VAL 111 Cb -0.04 -3.56 0.00 0.00 -1.53 0.00 0.00 36.38 31.25 1joq s VAL 111 CO 0.17 0.28 0.00 0.00 -3.33 0.00 0.00 175.10 172.22 1joq n ALA 112 N 4.66 0.00 -3.14 1.54 0.00 -0.97 -4.92 120.51 117.69 1joq n ALA 112 Ca -0.13 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.23 1joq n ALA 112 Cb 0.52 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.01 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 0.00 -2.66 -3.36 0.00 4.01 -1.26 -2.83 117.16 111.06 1joq n TYR 113 Ca 0.00 0.97 -0.35 0.00 -0.16 0.00 0.00 57.90 58.36 1joq n TYR 113 Cb 0.00 -4.10 -0.05 0.00 -0.31 0.00 0.00 39.34 34.89 1joq n TYR 113 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1joq n VAL 114 N -2.56 3.54 -3.26 -0.72 0.31 -1.26 -3.56 118.33 110.83 1joq n VAL 114 Ca -0.04 -5.42 -0.39 0.00 -0.01 0.00 0.00 64.34 58.49 1joq n VAL 114 Cb 0.57 -2.19 -0.06 0.00 -0.91 0.00 0.00 33.84 31.25 1joq n VAL 114 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1joq s TYR 115 N -2.22 3.47 0.58 3.52 2.02 -1.25 -4.95 117.35 118.53 1joq s TYR 115 Ca 0.33 0.90 -0.13 0.00 -0.37 0.00 0.00 57.07 57.80 1joq s TYR 115 Cb 0.04 -2.62 -0.05 0.00 -0.40 0.00 0.00 41.96 38.93 1joq s TYR 115 CO -0.01 0.06 1.02 0.15 -1.57 0.00 0.00 175.55 175.20 1joq s LYS 116 N 1.00 3.71 -0.00 -0.62 1.02 -1.26 -0.31 119.74 123.27 1joq s LYS 116 Ca 0.27 0.83 0.01 0.00 0.02 0.00 0.00 55.97 57.10 1joq s LYS 116 Cb -0.15 -2.10 0.03 0.00 -0.52 0.00 0.00 37.83 35.08 1joq s LYS 116 CO 0.11 -0.48 0.91 -0.35 -0.92 0.00 0.00 175.35 174.61 1joq n PRO 117 N -2.34 1.09 -2.47 -1.68 -0.04 -1.26 -4.99 135.00 123.30 1joq n PRO 117 Ca 0.06 -0.11 -0.41 0.00 -0.04 0.00 0.00 63.50 63.01 1joq n PRO 117 Cb 0.54 -1.15 -0.01 0.00 -0.04 0.00 0.00 33.50 32.85 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 -0.31 4.63 -0.75 3.54 3.02 0.58 -4.14 115.26 121.83 1joq n ASN 118 Ca 0.01 -2.88 -0.04 0.00 -0.03 0.00 0.00 54.58 51.64 1joq n ASN 118 Cb 0.09 -1.74 -0.04 0.00 -0.61 0.00 0.00 39.78 37.48 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 9.19 -0.56 -0.03 6.41 6.94 -1.26 -3.78 115.26 132.17 1joq n ASN 119 Ca 0.49 -1.30 -0.08 0.00 -0.02 0.00 0.00 54.58 53.66 1joq n ASN 119 Cb 0.46 0.17 -0.03 0.00 -2.36 0.00 0.00 39.78 38.02 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 3.72 0.72 -0.47 5.53 2.02 -1.96 -1.54 112.91 120.92 1joq h THR 120 Ca -0.32 0.00 -0.30 0.00 0.77 0.00 0.00 66.41 66.57 1joq h THR 120 Cb 1.07 0.72 -0.12 0.00 -1.74 0.00 0.00 68.15 68.08 1joq h THR 120 CO -0.16 0.00 0.29 1.41 0.37 0.00 0.00 175.52 177.43 1joq n HIS 121 N -5.24 1.20 0.06 3.16 8.25 -1.26 -4.47 115.22 116.92 1joq n HIS 121 Ca -0.02 -1.78 -0.05 0.00 -0.26 0.00 0.00 57.72 55.61 1joq n HIS 121 Cb 0.16 -1.01 -0.03 0.00 1.12 0.00 0.00 29.99 30.23 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 1.79 -0.25 -0.75 -0.41 4.81 -1.68 -2.69 114.58 115.40 1joq h GLU 122 Ca 0.26 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.63 1joq h GLU 122 Cb 0.94 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.32 1joq h GLU 122 CO 0.62 -0.09 0.50 0.37 -0.73 0.00 0.00 179.01 179.68 1joq h GLN 123 N -1.05 0.52 0.59 1.92 4.15 -1.82 0.98 115.11 120.40 1joq h GLN 123 Ca -0.03 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.33 1joq h GLN 123 Cb 0.28 -0.12 0.01 0.00 0.21 0.00 0.00 27.48 27.85 1joq h GLN 123 CO 0.04 0.34 -0.29 1.25 -1.93 0.00 0.00 178.83 178.25 1joq h LEU 124 N 0.54 -0.68 -0.37 -2.39 7.12 -1.86 -2.20 115.31 115.47 1joq h LEU 124 Ca 0.36 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.40 1joq h LEU 124 Cb 0.67 0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.97 1joq h LEU 124 CO -0.13 -0.46 0.00 0.18 -0.13 0.00 0.00 178.44 177.90 1joq n LEU 125 N -4.28 0.19 0.15 2.25 4.77 -1.02 -2.49 117.00 116.58 1joq n LEU 125 Ca -0.10 0.57 -0.10 0.00 -0.03 0.00 0.00 56.01 56.35 1joq n LEU 125 Cb 0.31 -0.58 -0.06 0.00 -2.33 0.00 0.00 43.42 40.77 1joq n LEU 125 CO 0.24 -0.54 0.32 -0.09 -1.33 0.00 0.00 177.39 175.99 1joq h ARG 126 N 0.00 -0.43 -0.27 3.23 2.43 -0.19 -1.83 114.38 117.32 1joq h ARG 126 Ca 0.00 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1joq h ARG 126 Cb 0.10 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1joq h ARG 126 CO 0.00 -0.15 -0.10 1.57 -1.51 0.00 0.00 179.97 179.78 1joq h LYS 127 N -1.02 0.44 0.03 0.20 2.10 -1.26 -1.96 116.57 115.10 1joq h LYS 127 Ca -0.05 -0.11 -0.00 0.00 -2.00 0.00 0.00 60.65 58.49 1joq h LYS 127 Cb 0.48 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 1joq h LYS 127 CO 0.08 0.54 -0.01 0.77 -2.00 0.00 0.00 179.45 178.83 1joq h SER 128 N 0.41 -0.03 -0.12 7.07 0.02 -1.52 -1.08 113.55 118.30 1joq h SER 128 Ca 0.08 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1joq h SER 128 Cb 0.43 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1joq h SER 128 CO 0.02 0.06 0.07 -0.08 -1.14 0.00 0.00 176.83 175.76 1joq h GLU 129 N -0.12 0.14 -0.70 3.45 4.22 -1.09 -1.06 114.58 119.42 1joq h GLU 129 Ca -0.00 -0.01 0.17 0.00 0.08 0.00 0.00 59.36 59.60 1joq h GLU 129 Cb 0.11 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 1joq h GLU 129 CO 0.01 0.09 0.48 0.00 -2.18 0.00 0.00 179.01 177.41 1joq h ALA 130 N 1.05 2.36 -0.42 2.92 0.00 -1.16 0.15 119.26 124.16 1joq h ALA 130 Ca 0.04 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1joq h ALA 130 Cb -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1joq h ALA 130 CO -0.02 -0.56 0.00 0.37 0.00 0.00 0.00 179.25 179.05 1joq h GLN 131 N 0.21 0.73 0.00 0.00 4.15 0.11 -1.73 115.11 118.58 1joq h GLN 131 Ca 0.34 -0.23 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 1joq h GLN 131 Cb 1.04 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.66 1joq h GLN 131 CO -0.07 0.81 -0.06 0.00 -1.93 0.00 0.00 178.83 177.59 1joq h ALA 132 N 0.89 1.03 0.47 3.38 0.00 -0.32 -0.26 119.26 124.46 1joq h ALA 132 Ca 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1joq h ALA 132 Cb 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1joq h ALA 132 CO 0.02 0.07 -0.22 -0.22 0.00 0.00 0.00 179.25 178.90 1joq h LYS 133 N 0.00 -0.61 0.00 0.00 3.64 -0.24 -1.23 116.57 118.14 1joq h LYS 133 Ca -0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1joq h LYS 133 Cb 0.49 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1joq h LYS 133 CO 0.01 -0.39 0.00 0.87 -2.27 0.00 0.00 179.45 177.66 1joq h LYS 134 N -1.16 0.00 0.00 1.90 1.79 -1.36 -2.26 116.57 115.48 1joq h LYS 134 Ca -0.06 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.21 1joq h LYS 134 Cb 0.49 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.11 1joq h LYS 134 CO 0.11 0.00 -0.97 0.93 -1.08 0.00 0.00 179.45 178.44 1joq h GLU 135 N 0.00 0.00 -5.48 3.15 5.08 -0.95 -3.48 114.58 112.89 1joq h GLU 135 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 1joq h GLU 135 Cb 0.35 0.00 0.20 0.00 0.50 0.00 0.00 28.75 29.79 1joq h GLU 135 CO 0.00 0.84 -0.85 1.63 -1.00 0.00 0.00 179.01 179.63 1joq n LYS 136 N -3.29 -2.61 -3.67 2.33 5.02 -0.47 -4.87 118.16 110.59 1joq n LYS 136 Ca -0.01 0.86 -0.37 0.00 -2.02 0.00 0.00 58.31 56.77 1joq n LYS 136 Cb 0.90 -5.81 -0.10 0.00 -0.02 0.00 0.00 35.03 30.01 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 -5.50 4.08 0.00 -0.35 1.43 -1.24 -3.01 118.68 114.09 1joq s LEU 137 Ca 0.42 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 1joq s LEU 137 Cb -0.06 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 44.07 1joq s LEU 137 CO 0.74 0.06 0.00 0.59 0.23 0.00 0.00 176.35 177.97 1joq n ASN 138 N 4.32 0.00 0.07 2.29 3.02 -1.26 -1.88 115.26 121.82 1joq n ASN 138 Ca -0.15 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.32 1joq n ASN 138 Cb 0.52 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.64 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 0.00 0.00 2.41 2.04 -1.90 0.43 117.51 120.49 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 -3.86 0.00 -0.64 1.37 7.02 -0.79 -2.89 117.44 117.65 1joq n TRP 140 Ca -0.04 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.29 1joq n TRP 140 Cb 0.20 -0.32 0.05 0.00 -2.42 0.00 0.00 31.31 28.82 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 -1.32 5.59 0.00 -0.99 3.41 0.14 -4.21 113.62 116.25 1joq n SER 141 Ca 0.05 -2.94 0.00 0.00 -0.26 0.00 0.00 58.87 55.72 1joq n SER 141 Cb 0.10 -0.96 0.00 0.00 -0.26 0.00 0.00 64.21 63.10 1joq n SER 141 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1joq n GLU 142 N 0.26 0.00 -1.13 4.33 -0.58 -1.14 -4.75 120.64 117.63 1joq n GLU 142 Ca 0.28 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.68 1joq n GLU 142 Cb 0.69 -0.04 0.12 0.00 -0.57 0.00 0.00 31.44 31.63 1joq n GLU 142 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1joq n ASP 143 N -0.06 0.48 0.21 1.62 9.92 -1.26 -4.92 116.55 122.54 1joq n ASP 143 Ca 0.00 0.58 0.00 0.00 -0.53 0.00 0.00 54.79 54.84 1joq n ASP 143 Cb 0.00 -1.44 0.00 0.00 -0.64 0.00 0.00 41.12 39.04 1joq n ASP 143 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1joq n ASN 144 N -2.61 -2.77 -2.07 -2.24 5.15 -1.26 -5.11 115.26 104.34 1joq n ASN 144 Ca 0.13 0.78 -0.06 0.00 -0.60 0.00 0.00 54.58 54.82 1joq n ASN 144 Cb 0.50 2.66 0.01 0.00 -0.53 0.00 0.00 39.78 42.42 1joq n ASN 144 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1joq n ALA 145 N -3.49 -0.77 -0.00 5.20 0.00 -1.26 -5.12 120.51 115.07 1joq n ALA 145 Ca 0.00 -0.80 -0.00 0.00 0.00 0.00 0.00 53.44 52.64 1joq n ALA 145 Cb 0.00 0.64 -0.00 0.00 0.00 0.00 0.00 19.45 20.09 1joq n ALA 145 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1joq n ASP 146 N -1.47 0.06 -4.53 0.00 2.03 -1.26 -4.85 116.55 106.53 1joq n ASP 146 Ca -0.03 0.01 -0.28 0.00 0.52 0.00 0.00 54.79 55.01 1joq n ASP 146 Cb 0.34 -0.37 -0.11 0.00 -0.72 0.00 0.00 41.12 40.27 1joq n ASP 146 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1joq n SER 147 N -2.56 0.98 -4.66 1.67 2.88 -1.26 -4.85 113.62 105.82 1joq n SER 147 Ca -0.00 -0.65 -0.43 0.00 -1.33 0.00 0.00 58.87 56.46 1joq n SER 147 Cb 0.01 -1.25 -0.02 0.00 -0.75 0.00 0.00 64.21 62.20 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 8.73 1.62 0.00 0.46 0.00 -1.26 -5.24 107.32 111.64 1joq s GLY 148 Ca 1.12 0.35 0.00 0.00 0.00 0.00 0.00 44.72 46.18 1joq s GLY 148 CO 0.32 2.44 0.00 -0.18 0.00 0.00 0.00 173.10 175.68