#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 3.76 -0.01 0.00 2.01 -1.26 -5.06 115.64 115.08 1joq s THR 2 Ca 0.00 -1.28 -0.01 0.00 0.31 0.00 0.00 61.69 60.71 1joq s THR 2 Cb 0.00 -2.84 -0.00 0.00 0.01 0.00 0.00 72.50 69.66 1joq s THR 2 CO 0.00 -0.01 -0.03 -1.20 -0.69 0.00 0.00 174.62 172.69 1joq n SER 3 N 0.19 0.25 -3.64 3.53 7.64 -1.26 -5.09 113.62 115.24 1joq n SER 3 Ca -0.11 0.04 -0.09 0.00 1.01 0.00 0.00 58.87 59.72 1joq n SER 3 Cb 0.54 -0.28 -0.07 0.00 -1.01 0.00 0.00 64.21 63.38 1joq n SER 3 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1joq s THR 4 N -1.24 -0.00 -0.60 0.44 -1.32 -1.26 -5.06 115.64 106.59 1joq s THR 4 Ca -0.02 0.01 0.04 0.00 -1.21 0.00 0.00 61.69 60.50 1joq s THR 4 Cb 0.00 -0.96 0.36 0.00 -1.51 0.00 0.00 72.50 70.39 1joq s THR 4 CO 0.03 0.00 1.13 1.17 -2.21 0.00 0.00 174.62 174.74 1joq n LYS 5 N 3.81 3.50 -4.19 7.08 4.81 -1.26 -5.02 118.16 126.89 1joq n LYS 5 Ca -0.18 -4.70 -0.17 0.00 -0.87 0.00 0.00 58.31 52.39 1joq n LYS 5 Cb 0.58 -2.27 -0.12 0.00 0.02 0.00 0.00 35.03 33.23 1joq n LYS 5 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1joq s LYS 6 N -3.61 0.71 0.66 1.64 -2.85 -1.26 -5.14 119.74 109.89 1joq s LYS 6 Ca 0.48 -0.74 -0.11 0.00 -1.00 0.00 0.00 55.97 54.59 1joq s LYS 6 Cb 0.31 -0.63 -0.01 0.00 -2.06 0.00 0.00 37.83 35.43 1joq s LYS 6 CO -0.16 0.15 1.05 -0.51 0.10 0.00 0.00 175.35 175.97 1joq s LEU 7 N -1.32 3.20 -0.28 2.77 1.43 -1.26 -5.04 118.68 118.18 1joq s LEU 7 Ca -0.03 1.56 -0.02 0.00 -1.03 0.00 0.00 54.13 54.60 1joq s LEU 7 Cb -0.08 -4.49 0.03 0.00 0.03 0.00 0.00 46.19 41.68 1joq s LEU 7 CO 0.01 -1.21 -0.01 -1.38 0.23 0.00 0.00 176.35 173.99 1joq s HIS 8 N -3.05 3.16 -0.14 0.29 -3.43 -1.26 -5.08 115.29 105.78 1joq s HIS 8 Ca 0.57 -1.62 -0.24 0.00 -0.80 0.00 0.00 55.06 52.98 1joq s HIS 8 Cb -0.13 -2.11 -0.02 0.00 -1.43 0.00 0.00 32.58 28.89 1joq s HIS 8 CO 0.53 -0.74 0.74 0.15 -2.00 0.00 0.00 174.74 173.42 1joq s LYS 9 N 1.32 4.32 0.27 -0.38 -0.14 -1.26 -4.34 119.74 119.54 1joq s LYS 9 Ca -0.02 0.87 0.09 0.00 -1.36 0.00 0.00 55.97 55.56 1joq s LYS 9 Cb -0.18 -3.53 -0.05 0.00 -1.68 0.00 0.00 37.83 32.38 1joq s LYS 9 CO -0.02 -0.17 -0.14 -1.21 -0.76 0.00 0.00 175.35 173.05 1joq s GLU 10 N 1.63 1.59 0.83 1.68 2.02 -0.61 -4.94 118.70 120.90 1joq s GLU 10 Ca 0.36 -1.76 -0.12 0.00 0.02 0.00 0.00 54.97 53.47 1joq s GLU 10 Cb -0.17 -1.46 0.09 0.00 0.10 0.00 0.00 34.13 32.69 1joq s GLU 10 CO 0.14 0.20 1.13 -1.25 0.02 0.00 0.00 175.26 175.50 1joq s PRO 11 N -3.61 1.78 0.07 0.39 0.04 -1.26 0.29 135.00 132.69 1joq s PRO 11 Ca 0.28 0.35 -0.01 0.00 0.04 0.00 0.00 61.00 61.67 1joq s PRO 11 Cb -0.01 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1joq s PRO 11 CO 0.13 -1.77 0.10 0.00 0.04 0.00 0.00 177.00 175.49 1joq n ALA 12 N -3.49 -0.12 -2.67 8.56 0.00 0.05 -4.57 120.51 118.28 1joq n ALA 12 Ca 0.07 -0.28 -0.25 0.00 0.00 0.00 0.00 53.44 52.98 1joq n ALA 12 Cb 0.59 0.23 -0.16 0.00 0.00 0.00 0.00 19.45 20.11 1joq n ALA 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1joq s THR 13 N -2.58 1.33 -0.79 0.00 2.01 -0.52 -4.73 115.64 110.36 1joq s THR 13 Ca 0.05 -0.69 -0.21 0.00 0.31 0.00 0.00 61.69 61.14 1joq s THR 13 Cb -0.00 -1.12 0.10 0.00 0.01 0.00 0.00 72.50 71.48 1joq s THR 13 CO 0.03 0.38 1.05 -0.22 -0.69 0.00 0.00 174.62 175.17 1joq s LEU 14 N -0.22 4.65 -0.01 4.42 1.98 -1.26 -1.73 118.68 126.51 1joq s LEU 14 Ca 0.03 -1.46 -0.00 0.00 -2.89 0.00 0.00 54.13 49.80 1joq s LEU 14 Cb -0.08 -2.41 -0.00 0.00 0.66 0.00 0.00 46.19 44.35 1joq s LEU 14 CO 0.00 -1.28 -0.01 0.40 -1.89 0.00 0.00 176.35 173.57 1joq h ILE 15 N 5.96 0.00 -2.02 6.68 2.04 -1.71 -3.49 117.51 124.96 1joq h ILE 15 Ca -0.08 -0.08 0.06 0.00 1.00 0.00 0.00 64.86 65.76 1joq h ILE 15 Cb 1.05 0.00 -0.20 0.00 -0.74 0.00 0.00 36.82 36.92 1joq h ILE 15 CO 1.16 0.00 -0.12 -0.75 0.00 0.00 0.00 178.15 178.44 1joq s LYS 16 N -1.07 0.59 0.51 2.37 2.20 -1.01 -5.02 119.74 118.30 1joq s LYS 16 Ca -0.01 1.41 -0.20 0.00 -0.36 0.00 0.00 55.97 56.81 1joq s LYS 16 Cb 0.00 0.75 -0.07 0.00 -1.51 0.00 0.00 37.83 36.99 1joq s LYS 16 CO 0.01 -0.19 1.07 0.00 -0.36 0.00 0.00 175.35 175.87 1joq s ALA 17 N 2.70 2.81 -0.03 3.13 0.00 -1.26 -1.53 121.76 127.58 1joq s ALA 17 Ca -0.06 0.66 -0.03 0.00 0.00 0.00 0.00 51.96 52.53 1joq s ALA 17 Cb -0.11 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 1joq s ALA 17 CO -0.19 -0.48 -0.06 -0.89 0.00 0.00 0.00 175.76 174.14 1joq n ILE 18 N -1.12 0.46 -2.88 0.00 5.41 -1.03 -4.85 119.36 115.35 1joq n ILE 18 Ca 0.10 0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.86 1joq n ILE 18 Cb 0.52 -1.59 0.00 0.00 -0.71 0.00 0.00 39.64 37.86 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 -3.30 1.31 0.11 4.38 8.00 -0.87 -4.99 116.55 121.19 1joq n ASP 19 Ca -0.08 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.50 1joq n ASP 19 Cb 0.48 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.59 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 0.00 -0.01 0.44 0.00 -1.81 -3.36 103.07 98.33 1joq h GLY 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1joq h GLY 20 CO 0.00 0.00 -0.02 1.22 0.00 0.00 0.00 176.54 177.74 1joq n ASP 21 N -2.83 0.20 -4.55 0.19 9.92 -1.26 -4.53 116.55 113.69 1joq n ASP 21 Ca -0.01 -0.60 -0.34 0.00 -0.53 0.00 0.00 54.79 53.31 1joq n ASP 21 Cb 0.62 0.82 -0.12 0.00 -0.64 0.00 0.00 41.12 41.81 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 -0.86 3.77 -0.16 -3.53 2.01 -1.26 -1.48 115.64 114.12 1joq s THR 22 Ca 0.00 -0.44 -0.12 0.00 0.31 0.00 0.00 61.69 61.44 1joq s THR 22 Cb 0.00 -2.58 0.05 0.00 0.01 0.00 0.00 72.50 69.98 1joq s THR 22 CO 0.02 0.57 0.42 0.68 -0.69 0.00 0.00 174.62 175.61 1joq s VAL 23 N -0.41 -0.01 -0.39 3.82 -7.23 -0.92 -2.06 120.40 113.19 1joq s VAL 23 Ca 0.06 0.04 -0.25 0.00 -1.81 0.00 0.00 61.98 60.02 1joq s VAL 23 Cb -0.12 -0.60 0.02 0.00 0.56 0.00 0.00 36.38 36.24 1joq s VAL 23 CO 0.02 0.01 0.90 -0.54 -0.31 0.00 0.00 175.10 175.19 1joq s LYS 24 N 0.69 3.74 0.10 4.82 1.02 -0.58 -1.77 119.74 127.76 1joq s LYS 24 Ca -0.04 0.42 0.06 0.00 0.02 0.00 0.00 55.97 56.43 1joq s LYS 24 Cb -0.05 -3.84 -0.03 0.00 -0.52 0.00 0.00 37.83 33.39 1joq s LYS 24 CO -0.05 -1.01 -0.16 -0.51 -0.92 0.00 0.00 175.35 172.70 1joq s LEU 25 N 3.49 2.34 0.02 3.17 1.43 -0.80 -1.78 118.68 126.54 1joq s LEU 25 Ca 0.37 -0.71 -0.19 0.00 -1.03 0.00 0.00 54.13 52.56 1joq s LEU 25 Cb -0.12 -0.64 -0.06 0.00 0.03 0.00 0.00 46.19 45.40 1joq s LEU 25 CO 0.20 -0.06 0.56 -0.32 0.23 0.00 0.00 176.35 176.96 1joq s MET 26 N -2.16 4.24 -0.09 1.70 1.75 -0.70 -2.00 119.30 122.04 1joq s MET 26 Ca 0.05 0.69 -0.00 0.00 -1.25 0.00 0.00 55.69 55.18 1joq s MET 26 Cb -0.08 -3.29 0.02 0.00 2.84 0.00 0.00 34.83 34.32 1joq s MET 26 CO 0.03 0.50 -0.05 -0.47 -0.65 0.00 0.00 175.02 174.38 1joq s TYR 27 N -0.60 1.15 -1.72 4.11 5.04 -0.44 -1.44 117.35 123.45 1joq s TYR 27 Ca 0.29 -0.49 -0.17 0.00 -2.44 0.00 0.00 57.07 54.26 1joq s TYR 27 Cb -0.18 -1.02 0.16 0.00 0.35 0.00 0.00 41.96 41.26 1joq s TYR 27 CO 0.17 -0.40 0.64 1.63 -1.34 0.00 0.00 175.55 176.25 1joq n LYS 28 N 4.80 -2.29 -2.88 4.97 5.02 -1.26 0.57 118.16 127.10 1joq n LYS 28 Ca -0.13 0.28 -0.10 0.00 -2.02 0.00 0.00 58.31 56.35 1joq n LYS 28 Cb 0.50 -4.81 0.03 0.00 -0.02 0.00 0.00 35.03 30.73 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 -1.45 0.32 2.73 0.72 0.00 -1.26 -5.01 105.19 101.24 1joq n GLY 29 Ca 0.02 -0.32 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 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 -5.44 0.45 -0.42 1.61 0.74 0.19 -5.10 119.66 111.70 1joq s GLN 30 Ca 0.22 -0.52 -0.28 0.00 0.05 0.00 0.00 55.36 54.83 1joq s GLN 30 Cb -0.10 -0.75 -0.01 0.00 1.10 0.00 0.00 33.01 33.25 1joq s GLN 30 CO 0.27 -1.11 1.73 -1.25 -0.55 0.00 0.00 175.29 174.38 1joq s PRO 31 N 1.90 3.20 0.22 1.67 0.04 -1.26 -1.33 135.00 139.43 1joq s PRO 31 Ca 0.13 1.10 0.02 0.00 0.04 0.00 0.00 61.00 62.29 1joq s PRO 31 Cb -0.15 -4.21 -0.05 0.00 0.04 0.00 0.00 34.50 30.13 1joq s PRO 31 CO -0.19 -2.03 0.03 -1.64 0.04 0.00 0.00 177.00 173.21 1joq s MET 32 N 5.87 1.27 -0.27 4.56 -1.94 -0.84 -4.96 119.30 122.99 1joq s MET 32 Ca 0.72 -1.65 -0.13 0.00 -1.71 0.00 0.00 55.69 52.92 1joq s MET 32 Cb -0.18 -0.36 -0.04 0.00 2.01 0.00 0.00 34.83 36.26 1joq s MET 32 CO 0.30 -0.18 0.29 -0.08 -0.01 0.00 0.00 175.02 175.34 1joq s THR 33 N -3.62 5.24 -0.10 2.05 -1.32 -1.26 -1.91 115.64 114.72 1joq s THR 33 Ca 0.30 0.39 -0.09 0.00 -1.21 0.00 0.00 61.69 61.08 1joq s THR 33 Cb 0.07 -3.62 -0.04 0.00 -1.51 0.00 0.00 72.50 67.39 1joq s THR 33 CO 0.08 0.22 0.20 -0.36 -2.21 0.00 0.00 174.62 172.55 1joq s PHE 34 N 1.80 3.62 -0.06 9.09 0.40 -0.73 -0.74 117.98 131.36 1joq s PHE 34 Ca 0.12 0.63 0.06 0.00 -0.60 0.00 0.00 56.93 57.13 1joq s PHE 34 Cb -0.16 -2.03 -0.01 0.00 0.51 0.00 0.00 43.02 41.33 1joq s PHE 34 CO 0.10 0.69 -0.25 1.03 0.70 0.00 0.00 175.22 177.49 1joq s ARG 35 N -0.95 2.59 0.14 0.44 1.81 -1.01 -2.17 118.95 119.81 1joq s ARG 35 Ca 0.17 -0.90 -0.34 0.00 -1.72 0.00 0.00 55.73 52.93 1joq s ARG 35 Cb -0.13 -2.17 -0.16 0.00 -0.45 0.00 0.00 34.95 32.04 1joq s ARG 35 CO 0.06 0.37 1.22 1.28 -0.68 0.00 0.00 175.30 177.55 1joq n LEU 36 N 2.99 1.58 -4.88 2.53 4.77 -0.55 -4.33 117.00 119.11 1joq n LEU 36 Ca -0.18 1.13 -0.31 0.00 -0.03 0.00 0.00 56.01 56.63 1joq n LEU 36 Cb 0.52 -1.21 -0.04 0.00 -2.33 0.00 0.00 43.42 40.36 1joq n LEU 36 CO 0.26 -1.21 0.25 -0.76 -1.33 0.00 0.00 177.39 174.60 1joq s LEU 37 N 0.60 4.09 -1.79 2.23 1.43 -1.26 -4.03 118.68 119.95 1joq s LEU 37 Ca 0.77 0.91 0.00 0.00 -1.03 0.00 0.00 54.13 54.78 1joq s LEU 37 Cb -0.88 -3.71 0.00 0.00 0.03 0.00 0.00 46.19 41.63 1joq s LEU 37 CO 0.50 -0.16 0.00 0.18 0.23 0.00 0.00 176.35 177.10 1joq n LEU 38 N -0.53 -1.35 -3.65 1.79 4.77 -1.21 -4.95 117.00 111.88 1joq n LEU 38 Ca 0.00 0.36 -0.10 0.00 -0.03 0.00 0.00 56.01 56.24 1joq n LEU 38 Cb 0.53 -2.48 -0.04 0.00 -2.33 0.00 0.00 43.42 39.10 1joq n LEU 38 CO 0.46 -0.79 0.22 0.68 -1.33 0.00 0.00 177.39 176.63 1joq s VAL 39 N -2.68 0.05 -0.01 4.08 -7.23 -0.98 -2.15 120.40 111.47 1joq s VAL 39 Ca 0.00 -0.58 -0.06 0.00 -1.81 0.00 0.00 61.98 59.53 1joq s VAL 39 Cb 0.00 -1.29 0.00 0.00 0.56 0.00 0.00 36.38 35.65 1joq s VAL 39 CO 0.00 -0.21 0.12 -0.62 -0.31 0.00 0.00 175.10 174.08 1joq s ASP 40 N -2.82 -0.01 0.86 4.85 2.15 -0.39 -4.72 116.67 116.59 1joq s ASP 40 Ca 0.05 -0.07 -0.10 0.00 0.43 0.00 0.00 52.55 52.86 1joq s ASP 40 Cb 0.01 0.22 0.17 0.00 -0.30 0.00 0.00 42.92 43.02 1joq s ASP 40 CO -0.09 -0.25 1.19 0.42 -0.17 0.00 0.00 175.17 176.27 1joq s THR 41 N -0.90 2.05 0.75 1.71 -4.23 -1.26 -2.45 115.64 111.32 1joq s THR 41 Ca -0.10 -0.23 -0.12 0.00 -1.18 0.00 0.00 61.69 60.06 1joq s THR 41 Cb -0.06 -2.82 0.04 0.00 1.34 0.00 0.00 72.50 71.01 1joq s THR 41 CO 0.01 0.00 1.12 -2.16 -0.54 0.00 0.00 174.62 173.05 1joq s PRO 42 N -5.59 2.46 0.17 3.99 0.04 -1.26 -4.91 135.00 129.89 1joq s PRO 42 Ca 0.71 0.38 -0.17 0.00 0.04 0.00 0.00 61.00 61.95 1joq s PRO 42 Cb -0.05 -1.98 0.09 0.00 0.04 0.00 0.00 34.50 32.60 1joq s PRO 42 CO 0.49 -1.30 1.66 0.93 0.04 0.00 0.00 177.00 178.83 1joq h GLU 43 N -0.85 -0.02 -6.15 4.56 3.07 -1.97 -3.45 114.58 109.77 1joq h GLU 43 Ca -0.46 0.00 -0.47 0.00 -0.50 0.00 0.00 59.36 57.94 1joq h GLU 43 Cb 1.28 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.13 1joq h GLU 43 CO 0.64 -0.01 -0.73 0.25 -1.40 0.00 0.00 179.01 177.76 1joq n THR 44 N -5.31 -1.71 0.00 1.13 -2.24 -1.26 -4.88 114.28 100.01 1joq n THR 44 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1joq n THR 44 Cb 0.23 -2.55 0.00 0.00 -2.10 0.00 0.00 70.33 65.90 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 -4.48 0.00 0.00 -0.78 5.02 -1.26 -5.08 118.16 111.58 1joq n LYS 45 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1joq n LYS 45 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 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 0.00 0.00 -0.24 2.13 -0.00 -1.26 -5.02 115.22 110.83 1joq n HIS 46 Ca 0.00 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.14 1joq n HIS 46 Cb 0.00 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 29.88 1joq n HIS 46 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1joq n PRO 47 N 0.00 1.19 -3.61 1.57 -0.04 -1.26 -4.77 135.00 128.08 1joq n PRO 47 Ca 0.00 -0.39 -0.27 0.00 -0.04 0.00 0.00 63.50 62.80 1joq n PRO 47 Cb 0.00 -1.15 0.01 0.00 -0.04 0.00 0.00 33.50 32.32 1joq n PRO 47 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1joq n LYS 48 N 0.96 -4.27 -0.97 0.54 5.02 -1.26 -4.79 118.16 113.39 1joq n LYS 48 Ca 0.08 0.55 0.01 0.00 -2.02 0.00 0.00 58.31 56.93 1joq n LYS 48 Cb 0.55 -5.35 0.00 0.00 -0.02 0.00 0.00 35.03 30.22 1joq n LYS 48 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1joq n LYS 49 N -4.16 0.00 -1.15 1.97 5.02 -1.26 -5.14 118.16 113.44 1joq n LYS 49 Ca 0.01 -1.31 0.15 0.00 -2.02 0.00 0.00 58.31 55.14 1joq n LYS 49 Cb 0.54 -0.13 -0.05 0.00 -0.02 0.00 0.00 35.03 35.37 1joq n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1joq n GLY 50 N 0.21 -2.39 3.13 0.72 0.00 -1.26 -4.98 105.19 100.61 1joq n GLY 50 Ca -0.01 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.84 0.05 0.00 1.61 1.01 -1.26 -4.77 120.40 114.20 1joq s VAL 51 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1joq s VAL 51 Cb 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 35.95 1joq s VAL 51 CO 0.00 -0.24 0.00 -1.84 0.00 0.00 0.00 175.10 173.02 1joq n GLU 52 N 1.88 0.00 0.01 2.72 0.28 -1.26 -5.04 120.64 119.23 1joq n GLU 52 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.81 1joq n GLU 52 Cb 0.56 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.43 1joq n GLU 52 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1joq n LYS 53 N 0.00 0.00 -0.00 3.44 2.85 -1.26 -4.95 118.16 118.24 1joq n LYS 53 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1joq n LYS 53 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1joq n LYS 53 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1joq n TYR 54 N -2.45 0.00 0.00 5.58 4.01 -1.26 -4.79 117.16 118.25 1joq n TYR 54 Ca 0.00 -0.25 0.00 0.00 -0.16 0.00 0.00 57.90 57.49 1joq n TYR 54 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 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 -0.25 -2.80 2.30 2.72 0.00 -1.26 -3.73 105.19 102.17 1joq n GLY 55 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.37 3.56 0.01 1.61 -0.04 -1.26 -4.40 135.00 134.11 1joq n PRO 56 Ca 0.00 -2.21 -0.00 0.00 -0.04 0.00 0.00 63.50 61.25 1joq n PRO 56 Cb 0.00 -2.65 -0.00 0.00 -0.04 0.00 0.00 33.50 30.81 1joq n PRO 56 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1joq n GLU 57 N 3.11 0.01 -0.29 0.54 0.00 -1.24 -4.55 120.64 118.21 1joq n GLU 57 Ca 0.71 0.01 -0.02 0.00 0.00 0.00 0.00 57.16 57.86 1joq n GLU 57 Cb 0.33 -0.18 0.10 0.00 0.00 0.00 0.00 31.44 31.70 1joq n GLU 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1joq h ALA 58 N -0.27 1.07 -0.04 4.31 0.00 -1.79 -1.59 119.26 120.94 1joq h ALA 58 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1joq h ALA 58 Cb 0.03 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.49 1joq h ALA 58 CO 0.00 0.33 -0.44 0.77 0.00 0.00 0.00 179.25 179.91 1joq h SER 59 N 1.00 -1.34 0.08 0.00 0.02 -1.82 0.15 113.55 111.63 1joq h SER 59 Ca 0.33 0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 61.43 1joq h SER 59 Cb 0.02 0.53 -0.00 0.00 0.14 0.00 0.00 62.40 63.09 1joq h SER 59 CO -0.12 -0.46 -0.05 0.00 -1.14 0.00 0.00 176.83 175.07 1joq h ALA 60 N -0.04 1.68 0.06 3.77 0.00 -1.73 -1.23 119.26 121.77 1joq h ALA 60 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1joq h ALA 60 Cb 0.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1joq h ALA 60 CO -0.35 0.06 -0.03 0.35 0.00 0.00 0.00 179.25 179.28 1joq h PHE 61 N 0.00 -0.07 0.00 0.00 3.57 0.27 -1.88 116.94 118.83 1joq h PHE 61 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1joq h PHE 61 Cb 0.10 0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1joq h PHE 61 CO 0.00 -0.05 0.00 1.15 -2.23 0.00 0.00 178.31 177.18 1joq h THR 62 N -0.08 0.00 0.38 4.41 2.02 -1.33 -1.73 112.91 116.57 1joq h THR 62 Ca -0.01 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 1joq h THR 62 Cb 0.06 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1joq h THR 62 CO 0.01 0.00 -0.18 0.50 0.37 0.00 0.00 175.52 176.22 1joq h LYS 63 N 0.00 -0.49 0.00 6.66 3.64 -0.78 -2.33 116.57 123.28 1joq h LYS 63 Ca 0.00 0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 1joq h LYS 63 Cb 0.11 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1joq h LYS 63 CO 0.00 -0.17 -0.56 -0.22 -2.27 0.00 0.00 179.45 176.24 1joq h LYS 64 N -0.88 0.00 0.67 1.90 1.63 -1.07 -1.25 116.57 117.57 1joq h LYS 64 Ca -0.05 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 1joq h LYS 64 Cb 0.54 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 1joq h LYS 64 CO 0.08 0.56 -0.35 0.52 -3.45 0.00 0.00 179.45 176.81 1joq h MET 65 N 0.00 -0.90 0.00 1.90 2.86 -1.29 -0.15 114.93 117.34 1joq h MET 65 Ca -0.01 0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.65 1joq h MET 65 Cb 1.05 0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.90 1joq h MET 65 CO 0.07 -0.60 -0.24 -0.39 1.06 0.00 0.00 176.91 176.81 1joq h VAL 66 N -0.94 0.73 0.00 -2.22 -1.51 -1.48 0.15 116.25 110.99 1joq h VAL 66 Ca -0.09 -1.01 -0.08 0.00 -1.23 0.00 0.00 66.70 64.29 1joq h VAL 66 Cb 0.73 1.63 -0.01 0.00 -2.13 0.00 0.00 31.29 31.51 1joq h VAL 66 CO 0.13 0.23 -0.37 -0.33 -1.23 0.00 0.00 177.57 176.00 1joq h GLU 67 N 0.00 0.00 -0.00 5.19 5.08 -0.93 -2.98 114.58 120.94 1joq h GLU 67 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1joq h GLU 67 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1joq h GLU 67 CO 0.03 0.37 -0.67 0.09 -1.00 0.00 0.00 179.01 177.84 1joq n ASN 68 N -3.93 0.70 -4.64 1.42 3.02 -0.09 -4.94 115.26 106.80 1joq n ASN 68 Ca -0.02 -0.85 -0.42 0.00 -0.03 0.00 0.00 54.58 53.26 1joq n ASN 68 Cb 0.43 0.99 -0.03 0.00 -0.61 0.00 0.00 39.78 40.55 1joq n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1joq s ALA 69 N -2.34 3.32 -0.11 5.41 0.00 0.50 -4.83 121.76 123.71 1joq s ALA 69 Ca 0.06 0.94 0.24 0.00 0.00 0.00 0.00 51.96 53.20 1joq s ALA 69 Cb 0.11 -3.88 0.67 0.00 0.00 0.00 0.00 23.12 20.02 1joq s ALA 69 CO 0.58 -1.91 1.72 0.87 0.00 0.00 0.00 175.76 177.02 1joq h LYS 70 N 11.47 0.00 -3.18 0.00 1.57 -1.89 -3.43 116.57 121.11 1joq h LYS 70 Ca -0.42 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.09 1joq h LYS 70 Cb 1.21 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 33.18 1joq h LYS 70 CO 0.96 0.16 -0.62 0.15 -0.57 0.00 0.00 179.45 179.53 1joq s LYS 71 N -3.38 0.06 -0.13 3.15 1.02 -1.26 -5.05 119.74 114.14 1joq s LYS 71 Ca 0.03 0.46 0.01 0.00 0.02 0.00 0.00 55.97 56.49 1joq s LYS 71 Cb 0.08 -0.23 -0.01 0.00 -0.52 0.00 0.00 37.83 37.15 1joq s LYS 71 CO 0.65 -0.23 -0.16 0.42 -0.92 0.00 0.00 175.35 175.10 1joq s ILE 72 N 1.71 2.74 -0.05 2.17 1.09 -1.26 -2.53 121.20 125.07 1joq s ILE 72 Ca -0.03 -0.76 0.00 0.00 -1.10 0.00 0.00 60.65 58.76 1joq s ILE 72 Cb -0.12 -2.14 0.02 0.00 -1.06 0.00 0.00 42.46 39.17 1joq s ILE 72 CO -0.06 0.53 -0.03 -1.61 -0.10 0.00 0.00 174.94 173.67 1joq s GLU 73 N 0.50 0.71 0.67 2.79 2.02 -0.97 -0.77 118.70 123.64 1joq s GLU 73 Ca -0.11 -0.02 -0.02 0.00 0.02 0.00 0.00 54.97 54.84 1joq s GLU 73 Cb -0.16 -0.85 0.08 0.00 0.10 0.00 0.00 34.13 33.30 1joq s GLU 73 CO 0.05 -0.16 0.94 0.14 0.02 0.00 0.00 175.26 176.24 1joq s VAL 74 N 1.27 2.36 -0.37 2.63 -7.23 0.15 -1.10 120.40 118.10 1joq s VAL 74 Ca -0.06 -0.50 0.02 0.00 -1.81 0.00 0.00 61.98 59.63 1joq s VAL 74 Cb -0.14 -2.86 0.15 0.00 0.56 0.00 0.00 36.38 34.10 1joq s VAL 74 CO -0.02 0.00 0.31 -0.70 -0.31 0.00 0.00 175.10 174.38 1joq s GLU 75 N -5.07 0.64 0.21 4.82 2.12 0.32 -1.58 118.70 120.16 1joq s GLU 75 Ca 0.62 -1.22 -0.32 0.00 0.36 0.00 0.00 54.97 54.41 1joq s GLU 75 Cb -0.09 -1.04 -0.12 0.00 0.26 0.00 0.00 34.13 33.15 1joq s GLU 75 CO 0.43 -1.23 1.73 -0.06 -0.54 0.00 0.00 175.26 175.59 1joq s PHE 76 N 1.10 2.90 0.00 5.30 0.08 -1.26 -1.90 117.98 124.19 1joq s PHE 76 Ca 0.20 0.33 0.00 0.00 0.12 0.00 0.00 56.93 57.58 1joq s PHE 76 Cb -0.16 -4.15 0.00 0.00 -0.57 0.00 0.00 43.02 38.14 1joq s PHE 76 CO -0.03 -4.35 0.00 -3.47 -0.10 0.00 0.00 175.22 167.27 1joq n ASP 77 N 4.00 -0.47 -1.28 1.36 2.03 -1.26 -4.62 116.55 116.31 1joq n ASP 77 Ca 0.16 -0.24 0.09 0.00 0.52 0.00 0.00 54.79 55.31 1joq n ASP 77 Cb 0.35 0.00 0.29 0.00 -0.72 0.00 0.00 41.12 41.04 1joq n ASP 77 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1joq n LYS 78 N -0.71 2.94 0.00 -0.67 0.00 -1.26 -4.91 118.16 113.56 1joq n LYS 78 Ca 0.00 -2.33 0.00 0.00 -0.00 0.00 0.00 58.31 55.98 1joq n LYS 78 Cb 0.00 -1.67 0.00 0.00 -0.00 0.00 0.00 35.03 33.36 1joq n LYS 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1joq n GLY 79 N 1.21 3.20 3.64 2.58 0.00 -1.26 -4.88 105.19 109.68 1joq n GLY 79 Ca 0.21 -1.94 -0.36 0.00 0.00 0.00 0.00 46.02 43.93 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 0.75 0.01 1.61 1.13 -1.26 -4.90 117.38 114.72 1joq n GLN 80 Ca 0.00 0.31 0.11 0.00 -1.94 0.00 0.00 57.00 55.48 1joq n GLN 80 Cb 0.00 -2.28 0.07 0.00 0.11 0.00 0.00 30.24 28.14 1joq n GLN 80 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1joq n ARG 81 N -1.66 0.14 -3.82 -1.09 1.74 -1.26 -4.76 116.66 105.95 1joq n ARG 81 Ca 0.14 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.13 1joq n ARG 81 Cb 0.49 -1.55 -0.06 0.00 -1.02 0.00 0.00 32.46 30.32 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 -3.10 0.09 0.00 0.55 -4.23 -1.26 -2.27 115.64 105.42 1joq s THR 82 Ca 0.07 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 1joq s THR 82 Cb 0.16 -1.45 0.00 0.00 1.34 0.00 0.00 72.50 72.55 1joq s THR 82 CO 0.78 -0.42 0.00 -0.67 -0.54 0.00 0.00 174.62 173.76 1joq n ASP 83 N -0.17 0.57 0.00 3.99 2.03 -0.92 -4.90 116.55 117.15 1joq n ASP 83 Ca -0.13 -0.44 0.11 0.00 0.52 0.00 0.00 54.79 54.85 1joq n ASP 83 Cb 0.63 0.00 0.50 0.00 -0.72 0.00 0.00 41.12 41.52 1joq n ASP 83 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1joq n LYS 84 N -0.31 0.01 -0.06 -0.67 2.85 -1.26 -2.43 118.16 116.29 1joq n LYS 84 Ca 0.00 0.10 0.12 0.00 -1.05 0.00 0.00 58.31 57.48 1joq n LYS 84 Cb 0.00 -1.50 0.34 0.00 -0.65 0.00 0.00 35.03 33.22 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 -1.49 0.15 -0.98 5.58 4.02 -1.26 -4.90 117.16 118.28 1joq n TYR 85 Ca 0.06 -0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1joq n TYR 85 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 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 1.25 0.40 3.78 2.72 0.00 -1.02 -4.99 105.19 107.34 1joq n GLY 86 Ca 0.17 0.00 -0.39 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 -0.56 4.43 0.19 1.61 0.52 -1.26 -4.62 118.95 119.25 1joq s ARG 87 Ca 0.00 0.99 -0.30 0.00 -0.52 0.00 0.00 55.73 55.90 1joq s ARG 87 Cb 0.00 -3.27 -0.08 0.00 0.52 0.00 0.00 34.95 32.12 1joq s ARG 87 CO 0.00 0.54 1.08 0.20 0.02 0.00 0.00 175.30 177.14 1joq s GLY 88 N -0.93 2.90 -0.24 -3.53 0.00 0.08 -2.17 107.32 103.42 1joq s GLY 88 Ca 0.34 0.79 -0.05 0.00 0.00 0.00 0.00 44.72 45.80 1joq s GLY 88 CO 0.23 1.60 -0.00 1.08 0.00 0.00 0.00 173.10 176.00 1joq s LEU 89 N -0.49 3.20 0.11 0.66 1.43 -0.96 -2.39 118.68 120.24 1joq s LEU 89 Ca 0.48 -0.48 -0.25 0.00 -1.03 0.00 0.00 54.13 52.85 1joq s LEU 89 Cb -0.29 -1.79 0.08 0.00 0.03 0.00 0.00 46.19 44.23 1joq s LEU 89 CO 0.35 -0.07 1.10 0.00 0.23 0.00 0.00 176.35 177.96 1joq s ALA 90 N 1.49 -1.85 -0.28 4.21 0.00 -1.26 -4.30 121.76 119.76 1joq s ALA 90 Ca 0.05 0.04 -0.19 0.00 0.00 0.00 0.00 51.96 51.86 1joq s ALA 90 Cb -0.15 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.61 1joq s ALA 90 CO -0.01 -1.07 0.55 0.71 0.00 0.00 0.00 175.76 175.94 1joq s TYR 91 N -2.50 3.24 0.23 0.00 2.02 -0.80 -4.20 117.35 115.33 1joq s TYR 91 Ca 0.19 0.57 -0.24 0.00 -0.37 0.00 0.00 57.07 57.21 1joq s TYR 91 Cb -0.00 -2.82 -0.09 0.00 -0.40 0.00 0.00 41.96 38.65 1joq s TYR 91 CO 0.02 -0.37 0.81 0.42 -1.57 0.00 0.00 175.55 174.86 1joq s ILE 92 N 2.41 4.37 0.11 2.71 1.01 -1.26 -0.52 121.20 130.02 1joq s ILE 92 Ca 0.22 1.62 0.05 0.00 0.00 0.00 0.00 60.65 62.54 1joq s ILE 92 Cb -0.15 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 1joq s ILE 92 CO 0.10 0.33 -0.12 -0.31 0.00 0.00 0.00 174.94 174.94 1joq s TYR 93 N -1.39 1.22 -0.21 3.97 1.51 -0.26 -2.05 117.35 120.15 1joq s TYR 93 Ca 0.42 -0.60 -0.04 0.00 -1.01 0.00 0.00 57.07 55.84 1joq s TYR 93 Cb -0.20 -0.65 0.11 0.00 -0.11 0.00 0.00 41.96 41.10 1joq s TYR 93 CO 0.24 0.07 0.35 0.00 -1.11 0.00 0.00 175.55 175.10 1joq s ALA 94 N -2.23 -0.93 -1.33 3.71 0.00 -0.54 -2.30 121.76 118.15 1joq s ALA 94 Ca 0.06 0.98 -0.06 0.00 0.00 0.00 0.00 51.96 52.94 1joq s ALA 94 Cb -0.04 -1.44 0.01 0.00 0.00 0.00 0.00 23.12 21.64 1joq s ALA 94 CO 0.02 -1.03 0.84 -0.25 0.00 0.00 0.00 175.76 175.34 1joq n ASP 95 N 5.36 -5.91 -1.37 0.00 9.92 -1.05 -1.42 116.55 122.08 1joq n ASP 95 Ca -0.05 -0.39 -0.13 0.00 -0.53 0.00 0.00 54.79 53.69 1joq n ASP 95 Cb 0.50 -4.63 -0.02 0.00 -0.64 0.00 0.00 41.12 36.33 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 -1.69 0.14 2.99 0.44 0.00 -1.26 -4.99 105.19 100.81 1joq n GLY 96 Ca -0.04 -0.36 -0.30 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 -4.34 2.08 -0.02 1.61 2.20 -0.51 -5.09 119.74 115.68 1joq s LYS 97 Ca 0.00 -0.62 -0.30 0.00 -0.36 0.00 0.00 55.97 54.69 1joq s LYS 97 Cb 0.00 -2.15 -0.06 0.00 -1.51 0.00 0.00 37.83 34.11 1joq s LYS 97 CO 0.00 -0.31 1.62 1.41 -0.36 0.00 0.00 175.35 177.70 1joq s MET 98 N 1.49 4.20 0.25 4.03 -2.45 -1.26 -1.46 119.30 124.09 1joq s MET 98 Ca 0.03 2.19 -0.01 0.00 -1.25 0.00 0.00 55.69 56.65 1joq s MET 98 Cb -0.14 -3.84 0.30 0.00 1.25 0.00 0.00 34.83 32.40 1joq s MET 98 CO -0.10 -0.78 1.68 0.28 1.05 0.00 0.00 175.02 177.16 1joq h VAL 99 N 5.30 1.27 -0.39 10.11 2.07 -1.77 -1.46 116.25 131.37 1joq h VAL 99 Ca -0.40 -1.27 -0.08 0.00 0.82 0.00 0.00 66.70 65.77 1joq h VAL 99 Cb 1.18 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 1joq h VAL 99 CO 0.94 0.42 -0.11 0.78 0.02 0.00 0.00 177.57 179.62 1joq h ASN 100 N 0.58 0.67 0.50 0.57 4.21 -1.90 -1.96 115.58 118.25 1joq h ASN 100 Ca 0.09 -0.19 -0.20 0.00 1.21 0.00 0.00 56.30 57.21 1joq h ASN 100 Cb 0.68 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.69 1joq h ASN 100 CO 0.05 0.81 -0.86 -0.08 -1.29 0.00 0.00 177.43 176.06 1joq h GLU 101 N 0.63 0.25 -0.50 0.81 4.81 -1.88 -2.73 114.58 115.97 1joq h GLU 101 Ca 0.11 -0.26 -0.10 0.00 -0.13 0.00 0.00 59.36 58.98 1joq h GLU 101 Cb 0.55 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1joq h GLU 101 CO 0.03 0.97 -0.07 0.00 -0.73 0.00 0.00 179.01 179.21 1joq h ALA 102 N 0.95 0.69 -0.09 2.92 0.00 -1.00 -0.08 119.26 122.64 1joq h ALA 102 Ca -0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1joq h ALA 102 Cb 1.47 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1joq h ALA 102 CO 0.14 0.56 0.01 -0.07 0.00 0.00 0.00 179.25 179.89 1joq h LEU 103 N 0.80 0.14 -1.42 0.00 3.38 -1.37 -2.01 115.31 114.84 1joq h LEU 103 Ca 0.13 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1joq h LEU 103 Cb 0.62 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1joq h LEU 103 CO 0.04 0.37 0.00 0.58 0.09 0.00 0.00 178.44 179.52 1joq h VAL 104 N -0.09 0.00 0.03 1.22 2.07 -1.41 -0.98 116.25 117.09 1joq h VAL 104 Ca 0.03 -0.28 -0.22 0.00 0.82 0.00 0.00 66.70 67.05 1joq h VAL 104 Cb 0.29 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1joq h VAL 104 CO 0.00 0.00 -0.98 0.03 0.02 0.00 0.00 177.57 176.64 1joq h ARG 105 N 0.00 0.18 -0.06 1.57 3.08 -0.31 -3.19 114.38 115.65 1joq h ARG 105 Ca 0.00 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1joq h ARG 105 Cb 0.33 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1joq h ARG 105 CO 0.00 1.02 0.00 0.94 -1.07 0.00 0.00 179.97 180.86 1joq n GLN 106 N -3.58 2.22 -2.48 0.04 0.00 -0.83 -4.87 117.38 107.87 1joq n GLN 106 Ca -0.04 -1.78 -0.08 0.00 -0.00 0.00 0.00 57.00 55.10 1joq n GLN 106 Cb 0.88 -1.47 0.04 0.00 0.00 0.00 0.00 30.24 29.69 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 1.33 -0.02 0.02 1.69 0.00 -0.49 -4.46 105.19 103.26 1joq n GLY 107 Ca 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.40 2.85 -4.58 0.99 4.77 -0.53 -3.30 117.00 114.80 1joq n LEU 108 Ca -0.08 -0.02 -0.33 0.00 -0.03 0.00 0.00 56.01 55.55 1joq n LEU 108 Cb 0.57 -0.12 -0.11 0.00 -2.33 0.00 0.00 43.42 41.43 1joq n LEU 108 CO 0.29 0.54 -0.39 0.00 -1.33 0.00 0.00 177.39 176.50 1joq s ALA 109 N -2.07 2.97 0.13 -1.18 0.00 -1.25 -4.66 121.76 115.69 1joq s ALA 109 Ca -0.05 -0.93 -0.02 0.00 0.00 0.00 0.00 51.96 50.96 1joq s ALA 109 Cb 0.01 -1.19 -0.05 0.00 0.00 0.00 0.00 23.12 21.90 1joq s ALA 109 CO 0.09 0.58 0.32 0.15 0.00 0.00 0.00 175.76 176.90 1joq s LYS 110 N -0.95 3.53 0.14 0.00 1.02 -1.02 -4.50 119.74 117.95 1joq s LYS 110 Ca 0.13 -0.28 -0.30 0.00 0.02 0.00 0.00 55.97 55.54 1joq s LYS 110 Cb -0.11 -2.91 -0.07 0.00 -0.52 0.00 0.00 37.83 34.22 1joq s LYS 110 CO 0.03 0.50 1.08 0.08 -0.92 0.00 0.00 175.35 176.12 1joq s VAL 111 N -1.66 4.05 -0.05 3.17 1.01 -1.26 -1.27 120.40 124.39 1joq s VAL 111 Ca 0.38 1.71 -0.17 0.00 0.00 0.00 0.00 61.98 63.89 1joq s VAL 111 Cb -0.12 -4.09 0.06 0.00 0.00 0.00 0.00 36.38 32.23 1joq s VAL 111 CO 0.27 0.26 0.78 0.00 0.00 0.00 0.00 175.10 176.41 1joq n ALA 112 N 2.69 -2.24 -3.50 5.51 0.00 -0.92 -4.85 120.51 117.20 1joq n ALA 112 Ca 0.03 -0.42 -0.17 0.00 0.00 0.00 0.00 53.44 52.89 1joq n ALA 112 Cb 0.47 0.01 0.01 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.56 -2.36 -3.75 0.00 4.01 -1.26 -2.32 117.16 110.91 1joq n TYR 113 Ca 0.04 0.87 -0.36 0.00 -0.16 0.00 0.00 57.90 58.29 1joq n TYR 113 Cb 0.33 -3.40 -0.10 0.00 -0.31 0.00 0.00 39.34 35.85 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 -3.09 3.53 -0.12 -0.72 1.01 -1.26 -3.28 120.40 116.47 1joq s VAL 114 Ca 0.10 -2.91 -0.04 0.00 0.00 0.00 0.00 61.98 59.13 1joq s VAL 114 Cb -0.04 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 1joq s VAL 114 CO 0.84 -0.85 0.02 -0.31 0.00 0.00 0.00 175.10 174.80 1joq s TYR 115 N 0.03 3.21 0.48 5.22 1.51 -1.26 -5.04 117.35 121.49 1joq s TYR 115 Ca 0.16 0.14 -0.06 0.00 -1.01 0.00 0.00 57.07 56.30 1joq s TYR 115 Cb -0.21 -1.89 -0.04 0.00 -0.11 0.00 0.00 41.96 39.71 1joq s TYR 115 CO -0.03 0.36 0.79 0.15 -1.11 0.00 0.00 175.55 175.72 1joq s LYS 116 N -0.47 3.57 -0.06 -0.62 1.02 -1.26 -1.08 119.74 120.85 1joq s LYS 116 Ca 0.09 0.26 0.04 0.00 0.02 0.00 0.00 55.97 56.37 1joq s LYS 116 Cb -0.12 -2.36 0.21 0.00 -0.52 0.00 0.00 37.83 35.04 1joq s LYS 116 CO 0.02 -0.20 0.84 -0.35 -0.92 0.00 0.00 175.35 174.74 1joq n PRO 117 N -2.16 1.99 -2.34 -1.68 -0.04 -1.26 -4.98 135.00 124.53 1joq n PRO 117 Ca 0.01 -0.81 -0.43 0.00 -0.04 0.00 0.00 63.50 62.23 1joq n PRO 117 Cb 0.55 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.16 4.67 -1.27 3.54 3.02 -0.24 -4.21 115.26 120.93 1joq n ASN 118 Ca 0.07 -2.93 -0.04 0.00 -0.03 0.00 0.00 54.58 51.65 1joq n ASN 118 Cb 0.48 -1.66 -0.01 0.00 -0.61 0.00 0.00 39.78 37.98 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 6.66 -0.83 -0.34 6.41 6.94 -1.26 -4.20 115.26 128.65 1joq n ASN 119 Ca 0.47 -1.59 0.19 0.00 -0.02 0.00 0.00 54.58 53.63 1joq n ASN 119 Cb 0.42 0.30 0.43 0.00 -2.36 0.00 0.00 39.78 38.57 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 3.48 0.56 -2.01 5.53 2.02 -1.96 -0.89 112.91 119.63 1joq h THR 120 Ca -0.39 -0.18 -0.70 0.00 0.77 0.00 0.00 66.41 65.90 1joq h THR 120 Cb 1.18 -0.02 -0.34 0.00 -1.74 0.00 0.00 68.15 67.24 1joq h THR 120 CO -0.19 0.10 0.28 1.41 0.37 0.00 0.00 175.52 177.49 1joq n HIS 121 N -4.76 3.25 -0.00 3.16 8.25 -1.26 -4.80 115.22 119.06 1joq n HIS 121 Ca 0.26 -2.92 -0.00 0.00 -0.26 0.00 0.00 57.72 54.80 1joq n HIS 121 Cb 0.77 -0.78 -0.00 0.00 1.12 0.00 0.00 29.99 31.10 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 3.21 -0.00 -0.48 -0.41 4.22 -1.55 -3.02 114.58 116.54 1joq h GLU 122 Ca 0.41 0.00 0.14 0.00 0.08 0.00 0.00 59.36 59.99 1joq h GLU 122 Cb 0.41 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1joq h GLU 122 CO 1.10 -0.00 0.47 1.96 -2.18 0.00 0.00 179.01 180.36 1joq h GLN 123 N -0.02 0.00 0.78 1.92 4.20 -1.87 -1.30 115.11 118.82 1joq h GLN 123 Ca -0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1joq h GLN 123 Cb 0.00 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.79 1joq h GLN 123 CO 0.00 0.00 -0.37 1.25 -0.67 0.00 0.00 178.83 179.04 1joq h LEU 124 N 0.00 -0.88 -2.62 1.46 7.12 -1.90 -1.73 115.31 116.76 1joq h LEU 124 Ca 0.23 0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.27 1joq h LEU 124 Cb 1.17 0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 41.53 1joq h LEU 124 CO -0.00 -0.53 -0.00 -0.07 -0.13 0.00 0.00 178.44 177.70 1joq h LEU 125 N -1.24 0.00 0.14 2.25 3.38 -1.21 -2.80 115.31 115.84 1joq h LEU 125 Ca -0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1joq h LEU 125 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1joq h LEU 125 CO 0.18 0.00 -0.07 -0.09 0.09 0.00 0.00 178.44 178.55 1joq h ARG 126 N 0.00 -0.19 -0.93 1.13 2.43 -0.92 -1.27 114.38 114.63 1joq h ARG 126 Ca -0.00 0.01 0.27 0.00 -0.81 0.00 0.00 59.98 59.45 1joq h ARG 126 Cb 0.13 0.04 -0.14 0.00 -0.42 0.00 0.00 29.97 29.58 1joq h ARG 126 CO 0.00 -0.12 0.40 1.57 -1.51 0.00 0.00 179.97 180.30 1joq h LYS 127 N -0.40 0.29 -0.57 0.20 2.10 -1.26 0.78 116.57 117.70 1joq h LYS 127 Ca -0.02 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.60 1joq h LYS 127 Cb 0.15 -0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 31.39 1joq h LYS 127 CO 0.03 0.19 0.32 0.66 -2.00 0.00 0.00 179.45 178.65 1joq h SER 128 N 0.29 0.70 0.10 7.07 4.64 -1.54 -0.73 113.55 124.08 1joq h SER 128 Ca 0.63 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.85 1joq h SER 128 Cb 1.32 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1joq h SER 128 CO -0.61 0.58 -0.05 -0.08 -0.87 0.00 0.00 176.83 175.80 1joq h GLU 129 N 0.76 0.00 -0.03 4.77 4.57 0.17 -1.00 114.58 123.82 1joq h GLU 129 Ca 0.20 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.20 1joq h GLU 129 Cb 0.03 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 1joq h GLU 129 CO -0.03 0.05 -0.78 0.00 -1.18 0.00 0.00 179.01 177.06 1joq h ALA 130 N 1.95 0.61 -0.51 2.92 0.00 0.35 -2.01 119.26 122.56 1joq h ALA 130 Ca -0.00 -0.65 -0.08 0.00 0.00 0.00 0.00 54.91 54.17 1joq h ALA 130 Cb 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1joq h ALA 130 CO 0.01 0.83 -0.01 0.37 0.00 0.00 0.00 179.25 180.45 1joq h GLN 131 N 0.16 0.91 0.00 0.00 4.15 -0.52 -2.38 115.11 117.43 1joq h GLN 131 Ca -0.03 -0.30 -0.09 0.00 0.77 0.00 0.00 58.65 59.00 1joq h GLN 131 Cb 1.37 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.97 1joq h GLN 131 CO 0.12 0.94 -0.45 0.00 -1.93 0.00 0.00 178.83 177.52 1joq h ALA 132 N 0.94 1.10 0.61 3.38 0.00 -1.44 -1.37 119.26 122.47 1joq h ALA 132 Ca 0.14 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1joq h ALA 132 Cb 0.53 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1joq h ALA 132 CO 0.03 0.56 -0.29 0.87 0.00 0.00 0.00 179.25 180.42 1joq h LYS 133 N 0.00 -0.78 0.00 0.00 1.57 -0.85 -1.34 116.57 115.17 1joq h LYS 133 Ca -0.00 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1joq h LYS 133 Cb 0.88 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1joq h LYS 133 CO 0.06 -0.52 0.00 1.57 -0.57 0.00 0.00 179.45 179.99 1joq h LYS 134 N -0.82 0.00 0.00 3.15 2.10 -1.47 -2.45 116.57 117.08 1joq h LYS 134 Ca -0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1joq h LYS 134 Cb 0.63 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 1joq h LYS 134 CO 0.14 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.98 1joq n GLU 135 N -2.76 0.15 -3.73 0.07 1.02 -0.52 -4.93 120.64 109.94 1joq n GLU 135 Ca 0.02 0.17 -0.30 0.00 -0.02 0.00 0.00 57.16 57.04 1joq n GLU 135 Cb 0.34 -1.69 0.02 0.00 -0.02 0.00 0.00 31.44 30.09 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 -1.96 -1.09 -4.27 3.49 5.02 -0.56 -4.84 118.16 113.95 1joq n LYS 136 Ca 0.05 0.57 -0.34 0.00 -2.02 0.00 0.00 58.31 56.58 1joq n LYS 136 Cb 0.36 -3.46 -0.11 0.00 -0.02 0.00 0.00 35.03 31.79 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 -6.01 3.42 0.00 -0.35 0.20 -1.24 -3.18 118.68 111.53 1joq s LEU 137 Ca 0.30 -0.07 0.00 0.00 0.69 0.00 0.00 54.13 55.05 1joq s LEU 137 Cb -0.13 -1.84 0.00 0.00 -0.43 0.00 0.00 46.19 43.79 1joq s LEU 137 CO 0.88 0.17 0.00 0.59 -0.29 0.00 0.00 176.35 177.70 1joq n ASN 138 N 3.56 0.00 0.20 3.68 3.02 -1.26 -1.54 115.26 122.91 1joq n ASN 138 Ca -0.17 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.28 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 -1.88 -1.56 117.51 118.53 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 -3.98 0.00 -0.18 1.37 7.02 -0.59 -2.71 117.44 118.38 1joq n TRP 140 Ca -0.07 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.36 1joq n TRP 140 Cb 0.26 -0.48 0.04 0.00 -2.42 0.00 0.00 31.31 28.72 1joq n TRP 140 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1joq h SER 141 N 0.00 0.48 -4.21 -0.99 0.87 -1.16 -3.37 113.55 105.17 1joq h SER 141 Ca 0.00 0.01 -0.34 0.00 -1.23 0.00 0.00 61.79 60.23 1joq h SER 141 Cb 0.15 -0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 61.97 1joq h SER 141 CO 0.00 0.34 -0.23 -0.62 -0.53 0.00 0.00 176.83 175.78 1joq n GLU 142 N -4.81 1.29 0.00 2.24 1.02 -1.10 -4.86 120.64 114.42 1joq n GLU 142 Ca 0.04 -1.93 0.00 0.00 -0.02 0.00 0.00 57.16 55.25 1joq n GLU 142 Cb 0.09 0.46 0.00 0.00 -0.02 0.00 0.00 31.44 31.97 1joq n GLU 142 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1joq n ASP 143 N -1.31 0.00 -2.75 1.62 2.03 -1.26 -4.95 116.55 109.93 1joq n ASP 143 Ca -0.09 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.17 1joq n ASP 143 Cb 0.34 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.78 1joq n ASP 143 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1joq n ASN 144 N 0.00 1.35 -3.57 1.67 0.23 -1.26 -5.10 115.26 108.58 1joq n ASN 144 Ca 0.00 -2.37 -0.14 0.00 -0.53 0.00 0.00 54.58 51.54 1joq n ASN 144 Cb 0.00 -0.44 0.01 0.00 -2.08 0.00 0.00 39.78 37.27 1joq n ASN 144 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1joq n ALA 145 N -0.36 0.51 -3.73 -2.53 0.00 -1.26 -5.15 120.51 107.99 1joq n ALA 145 Ca 0.07 -1.20 -0.02 0.00 0.00 0.00 0.00 53.44 52.29 1joq n ALA 145 Cb 0.81 0.47 -0.01 0.00 0.00 0.00 0.00 19.45 20.72 1joq n ALA 145 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1joq s ASP 146 N -2.82 -0.12 0.54 0.00 -4.77 -1.26 -5.00 116.67 103.24 1joq s ASP 146 Ca 0.20 -0.35 0.23 0.00 -3.30 0.00 0.00 52.55 49.34 1joq s ASP 146 Cb -0.02 0.39 1.40 0.00 -1.09 0.00 0.00 42.92 43.60 1joq s ASP 146 CO 0.13 -0.72 2.05 0.28 0.70 0.00 0.00 175.17 177.61 1joq h SER 147 N 2.00 0.00 0.00 2.11 0.02 -2.08 -3.45 113.55 112.15 1joq h SER 147 Ca -0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1joq h SER 147 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1joq h SER 147 CO 0.27 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.57 1joq n GLY 148 N -1.58 2.49 0.00 -3.77 0.00 -1.26 -5.37 105.19 95.70 1joq n GLY 148 Ca 0.05 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1joq n GLY 148 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14