#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 1.47 0.10 0.00 -4.23 -1.26 -5.09 115.64 106.63 1joq s THR 2 Ca 0.00 -3.11 0.01 0.00 -1.18 0.00 0.00 61.69 57.41 1joq s THR 2 Cb 0.00 -2.00 -0.00 0.00 1.34 0.00 0.00 72.50 71.84 1joq s THR 2 CO 0.00 -1.05 0.02 -1.54 -0.54 0.00 0.00 174.62 171.51 1joq n SER 3 N 2.83 1.43 -4.75 3.99 3.41 -1.26 -5.11 113.62 114.15 1joq n SER 3 Ca 0.19 -1.48 -0.37 0.00 -0.26 0.00 0.00 58.87 56.96 1joq n SER 3 Cb 0.39 0.18 0.03 0.00 -0.26 0.00 0.00 64.21 64.55 1joq n SER 3 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1joq s THR 4 N -1.71 2.54 -0.11 6.66 2.01 -1.26 -4.93 115.64 118.83 1joq s THR 4 Ca 0.03 0.37 0.15 0.00 0.31 0.00 0.00 61.69 62.55 1joq s THR 4 Cb 0.00 -3.17 0.24 0.00 0.01 0.00 0.00 72.50 69.58 1joq s THR 4 CO 0.02 -0.04 1.12 0.29 -0.69 0.00 0.00 174.62 175.33 1joq n LYS 5 N -1.18 1.04 -2.97 4.92 4.76 -1.26 -4.79 118.16 118.68 1joq n LYS 5 Ca 0.11 -2.31 -0.22 0.00 -2.87 0.00 0.00 58.31 53.02 1joq n LYS 5 Cb 0.48 -1.30 -0.03 0.00 -1.84 0.00 0.00 35.03 32.34 1joq n LYS 5 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1joq n LYS 6 N -1.14 2.23 0.00 1.97 5.02 -1.26 -5.10 118.16 119.87 1joq n LYS 6 Ca 0.13 -4.14 0.00 0.00 -2.02 0.00 0.00 58.31 52.28 1joq n LYS 6 Cb 0.66 -1.96 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 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 -0.05 0.00 -3.54 -0.35 4.77 -1.26 -4.91 117.00 111.66 1joq n LEU 7 Ca 0.28 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 56.09 1joq n LEU 7 Cb 0.55 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.58 1joq n LEU 7 CO 0.28 -0.17 0.46 -2.28 -1.33 0.00 0.00 177.39 174.36 1joq s HIS 8 N 0.00 -0.65 -0.14 -1.77 2.46 -1.26 -5.02 115.29 108.90 1joq s HIS 8 Ca 0.00 1.18 -0.01 0.00 0.47 0.00 0.00 55.06 56.70 1joq s HIS 8 Cb 0.00 0.40 -0.02 0.00 -0.13 0.00 0.00 32.58 32.83 1joq s HIS 8 CO 0.00 -0.56 -0.10 0.15 -2.47 0.00 0.00 174.74 171.75 1joq s LYS 9 N -1.01 3.44 0.18 2.88 1.02 -1.26 -4.09 119.74 120.89 1joq s LYS 9 Ca -0.09 -0.65 0.10 0.00 0.02 0.00 0.00 55.97 55.35 1joq s LYS 9 Cb -0.01 -2.72 -0.04 0.00 -0.52 0.00 0.00 37.83 34.54 1joq s LYS 9 CO 0.08 0.17 -0.20 -1.21 -0.92 0.00 0.00 175.35 173.28 1joq s GLU 10 N 0.48 1.38 0.77 1.68 8.01 -0.85 -4.94 118.70 125.23 1joq s GLU 10 Ca -0.08 -1.47 -0.11 0.00 0.01 0.00 0.00 54.97 53.32 1joq s GLU 10 Cb -0.15 -1.50 0.05 0.00 -4.31 0.00 0.00 34.13 28.21 1joq s GLU 10 CO 0.04 0.31 1.08 -1.25 0.01 0.00 0.00 175.26 175.45 1joq s PRO 11 N -2.84 2.33 0.08 0.39 0.04 -1.26 -0.45 135.00 133.28 1joq s PRO 11 Ca 0.18 0.77 -0.00 0.00 0.04 0.00 0.00 61.00 61.99 1joq s PRO 11 Cb -0.06 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1joq s PRO 11 CO 0.08 -1.48 0.10 0.00 0.04 0.00 0.00 177.00 175.74 1joq n ALA 12 N -3.36 -0.05 -3.08 8.56 0.00 -0.52 -4.72 120.51 117.34 1joq n ALA 12 Ca 0.07 -0.36 -0.25 0.00 0.00 0.00 0.00 53.44 52.90 1joq n ALA 12 Cb 0.55 0.29 -0.16 0.00 0.00 0.00 0.00 19.45 20.13 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 -2.49 1.28 -1.00 0.00 2.01 -0.70 -4.85 115.64 109.88 1joq s THR 13 Ca 0.07 -0.61 -0.22 0.00 0.31 0.00 0.00 61.69 61.23 1joq s THR 13 Cb -0.00 -1.12 0.07 0.00 0.01 0.00 0.00 72.50 71.46 1joq s THR 13 CO 0.05 0.38 1.39 -0.22 -0.69 0.00 0.00 174.62 175.52 1joq s LEU 14 N 0.24 3.82 -0.08 4.42 2.96 -1.26 -1.17 118.68 127.60 1joq s LEU 14 Ca -0.07 -1.58 -0.19 0.00 -0.22 0.00 0.00 54.13 52.07 1joq s LEU 14 Cb -0.12 -2.54 -0.16 0.00 0.50 0.00 0.00 46.19 43.87 1joq s LEU 14 CO 0.03 -1.42 0.69 0.40 -1.32 0.00 0.00 176.35 174.73 1joq h ILE 15 N 6.59 0.95 -0.71 6.68 2.04 -1.77 -3.47 117.51 127.81 1joq h ILE 15 Ca 0.19 -1.43 0.20 0.00 1.00 0.00 0.00 64.86 64.82 1joq h ILE 15 Cb 1.01 1.69 -0.23 0.00 -0.74 0.00 0.00 36.82 38.56 1joq h ILE 15 CO 1.36 0.28 0.18 -0.75 0.00 0.00 0.00 178.15 179.23 1joq s LYS 16 N -2.77 0.26 0.55 2.37 2.20 -0.97 -5.03 119.74 116.34 1joq s LYS 16 Ca -0.12 0.57 -0.11 0.00 -0.36 0.00 0.00 55.97 55.95 1joq s LYS 16 Cb -0.01 0.33 -0.05 0.00 -1.51 0.00 0.00 37.83 36.60 1joq s LYS 16 CO 0.45 -0.17 0.95 0.00 -0.36 0.00 0.00 175.35 176.22 1joq s ALA 17 N 2.62 3.17 0.09 3.13 0.00 -1.26 -1.77 121.76 127.74 1joq s ALA 17 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.85 1joq s ALA 17 Cb -0.08 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 20.08 1joq s ALA 17 CO -0.15 -0.45 0.00 -0.89 0.00 0.00 0.00 175.76 174.26 1joq n ILE 18 N -2.24 0.51 -3.17 0.00 5.41 -0.44 -4.90 119.36 114.53 1joq n ILE 18 Ca 0.05 0.17 0.00 0.00 1.00 0.00 0.00 62.75 63.97 1joq n ILE 18 Cb 0.54 -1.04 0.00 0.00 -0.71 0.00 0.00 39.64 38.43 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 -3.07 0.94 -0.22 4.38 8.00 -0.87 -4.93 116.55 120.78 1joq n ASP 19 Ca 0.00 -0.70 0.14 0.00 0.71 0.00 0.00 54.79 54.94 1joq n ASP 19 Cb 0.00 0.00 0.71 0.00 -0.02 0.00 0.00 41.12 41.81 1joq n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1joq n GLY 20 N 5.00 -0.53 0.76 0.44 0.00 -1.25 -3.80 105.19 105.80 1joq n GLY 20 Ca 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 46.02 45.72 1joq n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1joq n ASP 21 N -0.44 0.05 -3.40 1.61 5.75 -1.26 -4.65 116.55 114.21 1joq n ASP 21 Ca 0.21 -1.71 -0.13 0.00 -0.01 0.00 0.00 54.79 53.15 1joq n ASP 21 Cb 0.21 -0.09 -0.09 0.00 -1.03 0.00 0.00 41.12 40.12 1joq n ASP 21 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1joq s THR 22 N 0.00 -0.50 -0.00 2.12 2.01 -1.25 -1.92 115.64 116.10 1joq s THR 22 Ca 0.06 -0.15 -0.01 0.00 0.31 0.00 0.00 61.69 61.90 1joq s THR 22 Cb 0.07 -0.81 -0.00 0.00 0.01 0.00 0.00 72.50 71.77 1joq s THR 22 CO -0.03 -0.20 0.01 0.68 -0.69 0.00 0.00 174.62 174.39 1joq s VAL 23 N 2.46 0.01 -0.26 3.82 -7.23 -1.00 -1.32 120.40 116.88 1joq s VAL 23 Ca 0.10 -0.10 -0.21 0.00 -1.81 0.00 0.00 61.98 59.97 1joq s VAL 23 Cb -0.15 -0.06 -0.02 0.00 0.56 0.00 0.00 36.38 36.72 1joq s VAL 23 CO -0.18 -0.05 0.66 -0.54 -0.31 0.00 0.00 175.10 174.68 1joq s LYS 24 N -0.15 4.10 0.13 4.82 1.02 -0.73 -1.73 119.74 127.21 1joq s LYS 24 Ca -0.02 0.59 0.08 0.00 0.02 0.00 0.00 55.97 56.65 1joq s LYS 24 Cb -0.01 -3.66 -0.04 0.00 -0.52 0.00 0.00 37.83 33.60 1joq s LYS 24 CO -0.00 -0.45 -0.20 -0.51 -0.92 0.00 0.00 175.35 173.28 1joq s LEU 25 N 2.58 2.36 0.12 3.17 1.02 -0.71 -2.12 118.68 125.09 1joq s LEU 25 Ca 0.28 -0.76 -0.28 0.00 0.02 0.00 0.00 54.13 53.38 1joq s LEU 25 Cb -0.15 -0.85 -0.06 0.00 0.02 0.00 0.00 46.19 45.14 1joq s LEU 25 CO 0.09 0.01 0.89 -0.32 0.02 0.00 0.00 176.35 177.04 1joq s MET 26 N -2.30 4.65 -0.11 1.70 1.75 -0.31 -2.53 119.30 122.15 1joq s MET 26 Ca 0.10 1.32 -0.04 0.00 -1.25 0.00 0.00 55.69 55.83 1joq s MET 26 Cb -0.08 -3.35 0.05 0.00 2.84 0.00 0.00 34.83 34.29 1joq s MET 26 CO 0.05 0.31 0.08 -0.47 -0.65 0.00 0.00 175.02 174.34 1joq s TYR 27 N -0.29 0.14 -1.72 4.11 5.04 -0.75 -1.72 117.35 122.17 1joq s TYR 27 Ca 0.43 -0.06 -0.01 0.00 -2.44 0.00 0.00 57.07 54.99 1joq s TYR 27 Cb -0.23 -0.60 0.00 0.00 0.35 0.00 0.00 41.96 41.48 1joq s TYR 27 CO 0.28 -0.37 0.11 1.63 -1.34 0.00 0.00 175.55 175.87 1joq n LYS 28 N 5.29 -2.31 -1.51 4.97 4.76 -1.26 -0.90 118.16 127.19 1joq n LYS 28 Ca -0.05 0.98 -0.02 0.00 -2.87 0.00 0.00 58.31 56.34 1joq n LYS 28 Cb 0.49 -5.68 -0.00 0.00 -1.84 0.00 0.00 35.03 28.00 1joq n LYS 28 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1joq n GLY 29 N -1.10 0.42 2.64 0.72 0.00 -1.26 -5.01 105.19 101.59 1joq n GLY 29 Ca -0.22 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 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 -3.06 0.42 -0.12 1.61 0.74 -0.08 -5.11 119.66 114.06 1joq s GLN 30 Ca 0.00 -0.70 -0.29 0.00 0.05 0.00 0.00 55.36 54.42 1joq s GLN 30 Cb 0.00 -1.60 -0.03 0.00 1.10 0.00 0.00 33.01 32.48 1joq s GLN 30 CO 0.00 -0.95 1.35 -1.25 -0.55 0.00 0.00 175.29 173.89 1joq s PRO 31 N 1.90 4.23 0.23 1.67 0.04 -1.26 -1.81 135.00 140.00 1joq s PRO 31 Ca 0.08 1.80 -0.02 0.00 0.04 0.00 0.00 61.00 62.90 1joq s PRO 31 Cb -0.17 -3.79 -0.03 0.00 0.04 0.00 0.00 34.50 30.56 1joq s PRO 31 CO -0.28 -0.71 0.22 -1.64 0.04 0.00 0.00 177.00 174.63 1joq s MET 32 N 3.46 1.37 -0.28 4.56 -1.94 -1.05 -4.97 119.30 120.44 1joq s MET 32 Ca 0.59 -1.63 -0.11 0.00 -1.71 0.00 0.00 55.69 52.84 1joq s MET 32 Cb -0.25 0.32 -0.05 0.00 2.01 0.00 0.00 34.83 36.86 1joq s MET 32 CO 0.19 -0.49 0.18 0.95 -0.01 0.00 0.00 175.02 175.85 1joq s THR 33 N -3.98 5.21 -0.05 2.05 -4.23 -1.26 -1.74 115.64 111.63 1joq s THR 33 Ca 0.36 0.11 -0.05 0.00 -1.18 0.00 0.00 61.69 60.93 1joq s THR 33 Cb 0.05 -3.49 -0.04 0.00 1.34 0.00 0.00 72.50 70.35 1joq s THR 33 CO 0.14 0.24 0.18 -0.36 -0.54 0.00 0.00 174.62 174.28 1joq s PHE 34 N 1.74 3.58 -0.09 3.99 0.40 -0.70 -1.38 117.98 125.52 1joq s PHE 34 Ca 0.07 0.48 0.03 0.00 -0.60 0.00 0.00 56.93 56.91 1joq s PHE 34 Cb -0.16 -1.91 0.01 0.00 0.51 0.00 0.00 43.02 41.47 1joq s PHE 34 CO 0.10 0.68 -0.19 0.50 0.70 0.00 0.00 175.22 177.02 1joq s ARG 35 N -1.50 2.44 0.18 0.44 3.52 -0.96 -2.38 118.95 120.68 1joq s ARG 35 Ca 0.22 -0.67 -0.32 0.00 -0.13 0.00 0.00 55.73 54.83 1joq s ARG 35 Cb -0.13 -1.91 -0.16 0.00 -1.56 0.00 0.00 34.95 31.20 1joq s ARG 35 CO 0.12 0.10 1.05 1.28 -0.81 0.00 0.00 175.30 177.04 1joq n LEU 36 N 3.70 1.09 -4.91 -0.88 4.77 -0.81 -4.26 117.00 115.70 1joq n LEU 36 Ca -0.21 1.15 -0.28 0.00 -0.03 0.00 0.00 56.01 56.64 1joq n LEU 36 Cb 0.52 -1.17 -0.02 0.00 -2.33 0.00 0.00 43.42 40.42 1joq n LEU 36 CO 0.27 -1.58 0.29 -0.76 -1.33 0.00 0.00 177.39 174.27 1joq s LEU 37 N 0.87 3.93 -1.65 2.23 1.43 -1.26 -4.05 118.68 120.18 1joq s LEU 37 Ca 0.71 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 54.60 1joq s LEU 37 Cb -0.87 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 41.70 1joq s LEU 37 CO 0.54 -0.32 0.00 0.18 0.23 0.00 0.00 176.35 176.98 1joq n LEU 38 N -1.39 -1.00 -3.89 1.79 4.77 -1.26 -4.91 117.00 111.12 1joq n LEU 38 Ca -0.01 0.38 -0.10 0.00 -0.03 0.00 0.00 56.01 56.26 1joq n LEU 38 Cb 0.54 -2.52 -0.06 0.00 -2.33 0.00 0.00 43.42 39.06 1joq n LEU 38 CO 0.49 -0.94 0.07 0.68 -1.33 0.00 0.00 177.39 176.36 1joq s VAL 39 N -2.29 0.05 -0.15 4.08 -7.23 -1.25 -2.19 120.40 111.43 1joq s VAL 39 Ca 0.00 -1.19 -0.13 0.00 -1.81 0.00 0.00 61.98 58.84 1joq s VAL 39 Cb 0.00 -1.75 0.04 0.00 0.56 0.00 0.00 36.38 35.23 1joq s VAL 39 CO 0.00 -0.25 0.39 -0.62 -0.31 0.00 0.00 175.10 174.31 1joq s ASP 40 N -2.94 -0.41 0.44 4.85 -1.08 -0.10 -4.71 116.67 112.72 1joq s ASP 40 Ca 0.14 0.79 -0.21 0.00 -0.52 0.00 0.00 52.55 52.76 1joq s ASP 40 Cb 0.02 0.79 -0.11 0.00 -1.46 0.00 0.00 42.92 42.17 1joq s ASP 40 CO -0.01 -0.14 0.96 0.28 0.52 0.00 0.00 175.17 176.78 1joq s THR 41 N 0.29 4.33 -1.40 1.71 -1.32 -1.26 -2.54 115.64 115.45 1joq s THR 41 Ca -0.01 1.44 -0.15 0.00 -1.21 0.00 0.00 61.69 61.77 1joq s THR 41 Cb -0.03 -3.59 0.02 0.00 -1.51 0.00 0.00 72.50 67.39 1joq s THR 41 CO -0.00 -0.32 2.20 -0.81 -2.21 0.00 0.00 174.62 173.47 1joq n PRO 42 N -0.71 2.74 -1.58 7.08 -0.04 -1.26 -4.83 135.00 136.40 1joq n PRO 42 Ca 0.07 -2.54 0.00 0.00 -0.04 0.00 0.00 63.50 60.99 1joq n PRO 42 Cb 0.54 -3.26 0.00 0.00 -0.04 0.00 0.00 33.50 30.74 1joq n PRO 42 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1joq n GLU 43 N 6.19 -4.55 -2.59 0.54 4.07 -1.26 -5.00 120.64 118.04 1joq n GLU 43 Ca 0.52 3.39 -0.05 0.00 -0.06 0.00 0.00 57.16 60.96 1joq n GLU 43 Cb 0.39 -3.82 0.08 0.00 -0.06 0.00 0.00 31.44 28.03 1joq n GLU 43 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1joq n THR 44 N -0.90 0.00 -1.95 6.31 -2.24 -1.26 -4.99 114.28 109.25 1joq n THR 44 Ca 0.00 -1.07 -0.25 0.00 -2.27 0.00 0.00 64.05 60.47 1joq n THR 44 Cb 0.00 0.85 0.03 0.00 -2.10 0.00 0.00 70.33 69.11 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 -0.70 3.52 -3.83 -0.78 5.02 -1.26 -4.93 118.16 115.20 1joq n LYS 45 Ca -0.12 -4.08 -0.21 0.00 -2.02 0.00 0.00 58.31 51.88 1joq n LYS 45 Cb 0.77 -2.27 -0.02 0.00 -0.02 0.00 0.00 35.03 33.48 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 -3.62 3.16 0.78 2.13 3.76 -1.26 -5.12 115.29 115.13 1joq s HIS 46 Ca 0.52 -0.16 -0.13 0.00 -0.15 0.00 0.00 55.06 55.14 1joq s HIS 46 Cb 0.42 -1.70 0.19 0.00 1.11 0.00 0.00 32.58 32.60 1joq s HIS 46 CO 0.03 0.28 0.87 -0.35 -0.85 0.00 0.00 174.74 174.72 1joq n PRO 47 N -1.41 -1.71 0.24 8.40 -0.04 -1.26 -4.82 135.00 134.40 1joq n PRO 47 Ca -0.05 -1.36 0.15 0.00 -0.04 0.00 0.00 63.50 62.21 1joq n PRO 47 Cb 0.58 -1.07 0.82 0.00 -0.04 0.00 0.00 33.50 33.79 1joq n PRO 47 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1joq h LYS 48 N 0.00 0.00 -0.16 0.54 -0.00 -2.04 -1.95 116.57 112.96 1joq h LYS 48 Ca -0.30 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.33 1joq h LYS 48 Cb 0.87 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.09 1joq h LYS 48 CO 0.20 0.00 0.04 0.87 -0.00 0.00 0.00 179.45 180.56 1joq h LYS 49 N 0.00 0.26 0.00 0.07 1.57 -2.04 -3.49 116.57 112.93 1joq h LYS 49 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1joq h LYS 49 Cb 0.10 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1joq h LYS 49 CO 0.00 0.40 0.00 0.41 -0.57 0.00 0.00 179.45 179.69 1joq n GLY 50 N -0.52 -1.77 3.37 3.86 0.00 -0.73 -4.94 105.19 104.46 1joq n GLY 50 Ca -0.05 -1.59 -0.19 0.00 0.00 0.00 0.00 46.02 44.19 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 0.76 -0.36 1.61 1.01 -1.26 -4.87 120.40 117.29 1joq s VAL 51 Ca 0.00 -2.00 -0.01 0.00 0.00 0.00 0.00 61.98 59.97 1joq s VAL 51 Cb 0.00 -2.67 0.27 0.00 0.00 0.00 0.00 36.38 33.98 1joq s VAL 51 CO 0.00 0.00 1.96 -0.62 0.00 0.00 0.00 175.10 176.44 1joq n GLU 52 N -0.56 1.92 0.00 2.72 1.02 -1.26 -4.09 120.64 120.38 1joq n GLU 52 Ca -0.01 -1.84 0.00 0.00 -0.02 0.00 0.00 57.16 55.29 1joq n GLU 52 Cb 0.66 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 1joq n GLU 52 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1joq n LYS 53 N 0.05 0.00 -1.15 3.49 4.81 -1.26 -5.00 118.16 119.11 1joq n LYS 53 Ca 0.35 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.82 1joq n LYS 53 Cb 0.67 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.73 1joq n LYS 53 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1joq n TYR 54 N -1.38 0.00 0.00 5.64 4.01 -1.26 -4.99 117.16 119.18 1joq n TYR 54 Ca 0.00 -0.34 0.00 0.00 -0.16 0.00 0.00 57.90 57.40 1joq n TYR 54 Cb 0.00 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 38.91 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 0.31 -0.68 3.36 2.72 0.00 -1.26 -3.45 105.19 106.19 1joq n GLY 55 Ca 0.04 0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.03 3.11 0.00 1.61 -0.04 -1.26 -4.43 135.00 133.96 1joq n PRO 56 Ca 0.00 -3.11 0.00 0.00 -0.04 0.00 0.00 63.50 60.35 1joq n PRO 56 Cb 0.00 -3.44 0.00 0.00 -0.04 0.00 0.00 33.50 30.02 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 7.80 0.00 -0.13 0.54 4.07 -1.22 -4.76 120.64 126.93 1joq n GLU 57 Ca 0.50 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.52 1joq n GLU 57 Cb 0.44 0.00 0.07 0.00 -0.06 0.00 0.00 31.44 31.90 1joq n GLU 57 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1joq h ALA 58 N 0.00 0.88 -0.46 4.31 0.00 -1.77 -1.60 119.26 120.62 1joq h ALA 58 Ca 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1joq h ALA 58 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1joq h ALA 58 CO 0.00 0.64 0.18 0.66 0.00 0.00 0.00 179.25 180.73 1joq h SER 59 N 0.79 0.63 1.11 0.00 4.64 -1.83 -1.96 113.55 116.92 1joq h SER 59 Ca 0.13 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1joq h SER 59 Cb 0.64 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1joq h SER 59 CO 0.04 0.62 0.00 0.00 -0.87 0.00 0.00 176.83 176.63 1joq h ALA 60 N 1.03 1.00 0.43 5.18 0.00 -1.82 -1.09 119.26 123.99 1joq h ALA 60 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1joq h ALA 60 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1joq h ALA 60 CO -0.01 0.00 -0.21 0.35 0.00 0.00 0.00 179.25 179.38 1joq h PHE 61 N 0.00 -0.53 0.00 0.00 3.04 -0.53 -1.85 116.94 117.07 1joq h PHE 61 Ca 0.00 -0.01 -0.06 0.00 3.98 0.00 0.00 57.97 61.88 1joq h PHE 61 Cb 0.56 0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.23 1joq h PHE 61 CO 0.00 -0.33 -0.27 1.15 -2.02 0.00 0.00 178.31 176.83 1joq h THR 62 N -1.12 0.73 0.18 4.41 2.02 -1.52 -0.46 112.91 117.15 1joq h THR 62 Ca -0.06 -1.18 -0.01 0.00 0.77 0.00 0.00 66.41 65.93 1joq h THR 62 Cb 0.44 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 1joq h THR 62 CO 0.10 0.27 -0.09 0.50 0.37 0.00 0.00 175.52 176.67 1joq h LYS 63 N 0.00 -0.23 0.00 6.66 3.64 -1.24 -1.91 116.57 123.49 1joq h LYS 63 Ca -0.00 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1joq h LYS 63 Cb 0.73 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1joq h LYS 63 CO 0.04 -0.16 -0.04 -0.22 -2.27 0.00 0.00 179.45 176.80 1joq h LYS 64 N -0.45 0.00 0.24 1.90 3.64 -1.41 -1.11 116.57 119.38 1joq h LYS 64 Ca -0.02 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1joq h LYS 64 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1joq h LYS 64 CO 0.04 0.04 -0.11 1.98 -2.27 0.00 0.00 179.45 179.12 1joq h MET 65 N 0.00 -0.31 0.00 1.90 4.05 -1.10 -2.46 114.93 117.01 1joq h MET 65 Ca -0.00 0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.38 1joq h MET 65 Cb 0.24 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 1joq h MET 65 CO 0.01 0.05 -0.31 -0.39 0.23 0.00 0.00 176.91 176.50 1joq h VAL 66 N -0.91 0.87 -0.37 -5.77 -1.51 -1.21 0.94 116.25 108.29 1joq h VAL 66 Ca -0.03 -1.21 -0.14 0.00 -1.23 0.00 0.00 66.70 64.09 1joq h VAL 66 Cb 0.50 1.73 -0.01 0.00 -2.13 0.00 0.00 31.29 31.38 1joq h VAL 66 CO 0.05 0.30 -0.31 -0.33 -1.23 0.00 0.00 177.57 176.05 1joq h GLU 67 N 0.00 0.82 0.00 5.19 5.08 -1.22 -2.99 114.58 121.45 1joq h GLU 67 Ca -0.00 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1joq h GLU 67 Cb 0.71 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1joq h GLU 67 CO 0.04 1.01 -0.83 0.09 -1.00 0.00 0.00 179.01 178.33 1joq n ASN 68 N -4.08 0.65 -4.75 1.42 3.02 -0.93 -4.91 115.26 105.69 1joq n ASN 68 Ca -0.01 -0.34 -0.41 0.00 -0.03 0.00 0.00 54.58 53.79 1joq n ASN 68 Cb 0.49 0.61 -0.02 0.00 -0.61 0.00 0.00 39.78 40.26 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 -3.10 3.69 -0.60 5.41 0.00 0.31 -4.89 121.76 122.58 1joq s ALA 69 Ca 0.07 1.46 0.24 0.00 0.00 0.00 0.00 51.96 53.73 1joq s ALA 69 Cb 0.16 -3.60 0.32 0.00 0.00 0.00 0.00 23.12 19.99 1joq s ALA 69 CO 0.77 -0.87 1.31 0.87 0.00 0.00 0.00 175.76 177.84 1joq h LYS 70 N 4.87 0.00 -3.75 0.00 1.57 -1.89 -3.45 116.57 113.92 1joq h LYS 70 Ca -0.47 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 57.90 1joq h LYS 70 Cb 1.22 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 33.16 1joq h LYS 70 CO 0.78 0.00 -0.76 0.15 -0.57 0.00 0.00 179.45 179.05 1joq s LYS 71 N -3.19 0.58 -0.27 3.15 -0.14 -1.26 -5.03 119.74 113.58 1joq s LYS 71 Ca 0.06 0.08 -0.00 0.00 -1.36 0.00 0.00 55.97 54.74 1joq s LYS 71 Cb 0.13 -0.86 0.08 0.00 -1.68 0.00 0.00 37.83 35.49 1joq s LYS 71 CO 0.72 -0.24 0.04 0.42 -0.76 0.00 0.00 175.35 175.53 1joq s ILE 72 N 1.66 1.21 -0.02 2.17 1.01 -1.26 -3.20 121.20 122.77 1joq s ILE 72 Ca 0.00 -1.34 0.06 0.00 0.00 0.00 0.00 60.65 59.37 1joq s ILE 72 Cb -0.13 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.59 1joq s ILE 72 CO -0.04 -0.42 -0.20 -1.61 0.00 0.00 0.00 174.94 172.68 1joq s GLU 73 N 1.49 1.66 0.27 2.79 2.02 -1.02 -1.44 118.70 124.47 1joq s GLU 73 Ca 0.04 -0.70 -0.02 0.00 0.02 0.00 0.00 54.97 54.30 1joq s GLU 73 Cb -0.18 -1.57 -0.04 0.00 0.10 0.00 0.00 34.13 32.43 1joq s GLU 73 CO -0.14 0.40 0.49 0.14 0.02 0.00 0.00 175.26 176.17 1joq s VAL 74 N -0.39 5.11 -0.59 2.63 -7.23 0.40 -0.76 120.40 119.57 1joq s VAL 74 Ca 0.06 -0.22 0.04 0.00 -1.81 0.00 0.00 61.98 60.05 1joq s VAL 74 Cb -0.08 -3.76 0.16 0.00 0.56 0.00 0.00 36.38 33.26 1joq s VAL 74 CO -0.00 -0.31 0.41 -0.70 -0.31 0.00 0.00 175.10 174.18 1joq s GLU 75 N -3.62 1.95 0.31 4.82 2.12 0.24 -2.00 118.70 122.52 1joq s GLU 75 Ca 0.41 -2.86 -0.28 0.00 0.36 0.00 0.00 54.97 52.60 1joq s GLU 75 Cb -0.11 -2.86 -0.13 0.00 0.26 0.00 0.00 34.13 31.29 1joq s GLU 75 CO 0.31 -1.28 1.13 1.19 -0.54 0.00 0.00 175.26 176.07 1joq n PHE 76 N 2.45 1.71 -0.15 5.30 3.72 -1.26 -2.38 117.46 126.85 1joq n PHE 76 Ca 0.19 0.64 0.00 0.00 -0.05 0.00 0.00 57.45 58.23 1joq n PHE 76 Cb 0.37 -2.32 0.00 0.00 -0.94 0.00 0.00 39.48 36.59 1joq n PHE 76 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1joq n ASP 77 N 1.02 -0.02 0.00 4.37 -0.08 -1.26 -4.55 116.55 116.03 1joq n ASP 77 Ca 0.07 -0.15 0.10 0.00 -1.51 0.00 0.00 54.79 53.31 1joq n ASP 77 Cb 0.34 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.73 1joq n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1joq n LYS 78 N -0.17 0.12 0.00 -0.67 0.00 -1.26 -4.88 118.16 111.30 1joq n LYS 78 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 1joq n LYS 78 Cb 0.00 -1.51 0.00 0.00 -0.00 0.00 0.00 35.03 33.52 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 1.45 0.58 3.93 2.58 0.00 -1.26 -5.02 105.19 107.46 1joq n GLY 79 Ca 0.03 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 1joq n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1joq s GLN 80 N 0.00 2.53 0.00 1.61 1.11 -1.26 -5.00 119.66 118.66 1joq s GLN 80 Ca 0.00 -0.25 0.17 0.00 0.01 0.00 0.00 55.36 55.29 1joq s GLN 80 Cb 0.00 -2.27 0.07 0.00 -1.01 0.00 0.00 33.01 29.80 1joq s GLN 80 CO 0.00 -0.94 0.98 0.54 0.01 0.00 0.00 175.29 175.88 1joq n ARG 81 N -2.69 1.56 -3.92 2.91 1.74 -1.26 -4.69 116.66 110.31 1joq n ARG 81 Ca 0.06 -1.19 -0.08 0.00 -0.77 0.00 0.00 57.85 55.87 1joq n ARG 81 Cb 0.59 -1.32 -0.08 0.00 -1.02 0.00 0.00 32.46 30.63 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 -1.75 0.15 0.00 0.55 -4.23 -1.26 -2.03 115.64 107.08 1joq s THR 82 Ca 0.17 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 1joq s THR 82 Cb 0.14 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.55 1joq s THR 82 CO 0.33 -0.69 0.00 -0.67 -0.54 0.00 0.00 174.62 173.05 1joq n ASP 83 N -0.04 0.66 0.22 3.99 2.03 -0.51 -4.89 116.55 118.02 1joq n ASP 83 Ca -0.14 -0.42 0.14 0.00 0.52 0.00 0.00 54.79 54.89 1joq n ASP 83 Cb 0.62 0.00 0.42 0.00 -0.72 0.00 0.00 41.12 41.44 1joq n ASP 83 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1joq h LYS 84 N 0.00 0.00 -0.00 -0.67 2.10 -2.03 -2.72 116.57 113.25 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 -0.07 0.66 -2.00 0.00 0.00 179.45 178.04 1joq n TYR 85 N -2.94 0.00 -0.89 0.07 4.02 -1.26 -4.88 117.16 111.29 1joq n TYR 85 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 1joq n TYR 85 Cb 0.41 -0.16 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 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 1.23 0.52 3.93 2.72 0.00 -1.03 -5.04 105.19 107.52 1joq n GLY 86 Ca 0.16 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.69 3.53 0.13 1.61 0.52 -1.26 -4.80 118.95 117.98 1joq s ARG 87 Ca 0.00 -0.28 -0.16 0.00 -0.52 0.00 0.00 55.73 54.76 1joq s ARG 87 Cb 0.00 -2.73 -0.07 0.00 0.52 0.00 0.00 34.95 32.67 1joq s ARG 87 CO 0.00 0.26 0.57 0.20 0.02 0.00 0.00 175.30 176.35 1joq s GLY 88 N -3.55 2.54 -0.15 -3.53 0.00 -0.48 -1.42 107.32 100.73 1joq s GLY 88 Ca 0.40 -0.05 0.01 0.00 0.00 0.00 0.00 44.72 45.07 1joq s GLY 88 CO 0.32 0.28 -0.17 1.08 0.00 0.00 0.00 173.10 174.61 1joq s LEU 89 N -1.69 2.40 -0.13 0.66 1.43 -0.86 -2.27 118.68 118.22 1joq s LEU 89 Ca 0.35 -0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 52.66 1joq s LEU 89 Cb -0.17 -1.53 0.13 0.00 0.03 0.00 0.00 46.19 44.65 1joq s LEU 89 CO 0.19 0.10 1.01 0.00 0.23 0.00 0.00 176.35 177.88 1joq s ALA 90 N 0.75 -1.93 -0.40 4.21 0.00 -1.26 -4.34 121.76 118.78 1joq s ALA 90 Ca -0.07 1.47 -0.29 0.00 0.00 0.00 0.00 51.96 53.08 1joq s ALA 90 Cb -0.16 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.55 1joq s ALA 90 CO 0.01 -0.42 1.15 0.71 0.00 0.00 0.00 175.76 177.20 1joq s TYR 91 N -1.71 2.90 0.46 0.00 2.02 -1.00 -4.39 117.35 115.64 1joq s TYR 91 Ca 0.02 0.91 -0.21 0.00 -0.37 0.00 0.00 57.07 57.42 1joq s TYR 91 Cb -0.01 -4.10 -0.09 0.00 -0.40 0.00 0.00 41.96 37.36 1joq s TYR 91 CO -0.02 -1.17 1.02 0.42 -1.57 0.00 0.00 175.55 174.23 1joq s ILE 92 N 4.21 3.93 -0.09 2.71 1.01 -1.26 -0.59 121.20 131.11 1joq s ILE 92 Ca 0.49 1.23 -0.00 0.00 0.00 0.00 0.00 60.65 62.36 1joq s ILE 92 Cb -0.10 -3.51 0.02 0.00 0.01 0.00 0.00 42.46 38.88 1joq s ILE 92 CO 0.25 -0.23 -0.05 -0.31 0.00 0.00 0.00 174.94 174.59 1joq s TYR 93 N -1.99 1.17 -0.05 3.97 1.51 0.06 -1.68 117.35 120.33 1joq s TYR 93 Ca 0.65 -0.50 0.05 0.00 -1.01 0.00 0.00 57.07 56.26 1joq s TYR 93 Cb -0.15 -1.04 -0.01 0.00 -0.11 0.00 0.00 41.96 40.65 1joq s TYR 93 CO 0.19 -0.41 -0.21 0.00 -1.11 0.00 0.00 175.55 174.00 1joq s ALA 94 N 1.65 1.86 -0.37 3.71 0.00 -0.21 -2.44 121.76 125.97 1joq s ALA 94 Ca 0.02 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1joq s ALA 94 Cb -0.13 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.40 1joq s ALA 94 CO -0.06 0.36 0.00 -0.25 0.00 0.00 0.00 175.76 175.81 1joq n ASP 95 N 3.02 -4.76 0.00 0.00 8.00 -1.19 -1.64 116.55 119.97 1joq n ASP 95 Ca -0.18 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1joq n ASP 95 Cb 0.52 -2.57 0.00 0.00 -0.02 0.00 0.00 41.12 39.06 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 -0.78 0.77 3.61 0.44 0.00 -1.26 -5.04 105.19 102.92 1joq n GLY 96 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 1joq n GLY 96 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1joq s LYS 97 N -0.46 2.15 -0.14 1.61 2.20 -0.65 -5.08 119.74 119.37 1joq s LYS 97 Ca 0.00 -1.51 -0.29 0.00 -0.36 0.00 0.00 55.97 53.81 1joq s LYS 97 Cb 0.00 -2.06 -0.02 0.00 -1.51 0.00 0.00 37.83 34.23 1joq s LYS 97 CO 0.00 0.35 1.31 1.41 -0.36 0.00 0.00 175.35 178.05 1joq s MET 98 N -3.64 4.24 0.17 4.03 -2.45 -1.26 -1.04 119.30 119.34 1joq s MET 98 Ca 0.31 1.73 -0.11 0.00 -1.25 0.00 0.00 55.69 56.37 1joq s MET 98 Cb -0.06 -3.77 0.05 0.00 1.25 0.00 0.00 34.83 32.30 1joq s MET 98 CO 0.19 -0.70 1.65 0.28 1.05 0.00 0.00 175.02 177.49 1joq h VAL 99 N 5.45 1.26 -0.49 10.11 2.07 -1.64 -2.10 116.25 130.91 1joq h VAL 99 Ca -0.29 -1.00 0.07 0.00 0.82 0.00 0.00 66.70 66.30 1joq h VAL 99 Cb 1.12 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 31.64 1joq h VAL 99 CO 0.96 0.36 0.14 0.78 0.02 0.00 0.00 177.57 179.84 1joq h ASN 100 N 0.84 0.11 0.27 0.57 4.21 -1.91 0.37 115.58 120.03 1joq h ASN 100 Ca 0.17 0.07 -0.06 0.00 1.21 0.00 0.00 56.30 57.68 1joq h ASN 100 Cb 0.44 0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.70 1joq h ASN 100 CO 0.01 0.09 -0.29 -0.08 -1.29 0.00 0.00 177.43 175.88 1joq h GLU 101 N 0.30 0.04 -0.28 0.81 4.81 -1.89 -2.74 114.58 115.63 1joq h GLU 101 Ca 0.24 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 1joq h GLU 101 Cb 0.28 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1joq h GLU 101 CO -0.27 0.32 0.08 0.00 -0.73 0.00 0.00 179.01 178.42 1joq h ALA 102 N 1.68 0.37 -0.07 2.92 0.00 -0.26 -1.21 119.26 122.69 1joq h ALA 102 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1joq h ALA 102 Cb 0.53 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1joq h ALA 102 CO 0.04 0.02 0.03 -0.07 0.00 0.00 0.00 179.25 179.27 1joq h LEU 103 N 0.30 0.05 -2.35 0.00 3.38 -1.04 -0.86 115.31 114.78 1joq h LEU 103 Ca 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1joq h LEU 103 Cb 0.26 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1joq h LEU 103 CO -0.00 0.04 -0.01 0.58 0.09 0.00 0.00 178.44 179.14 1joq h VAL 104 N 0.07 0.62 -0.41 1.22 2.07 -1.36 -1.50 116.25 116.97 1joq h VAL 104 Ca 0.03 -0.04 -0.10 0.00 0.82 0.00 0.00 66.70 67.41 1joq h VAL 104 Cb 0.01 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1joq h VAL 104 CO -0.02 0.01 -0.14 -0.09 0.02 0.00 0.00 177.57 177.35 1joq h ARG 105 N 0.00 0.81 -0.60 1.57 9.65 0.10 -2.42 114.38 123.49 1joq h ARG 105 Ca -0.00 -0.33 0.00 0.00 -1.10 0.00 0.00 59.98 58.55 1joq h ARG 105 Cb 0.02 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.57 1joq h ARG 105 CO 0.00 0.96 0.00 0.94 2.80 0.00 0.00 179.97 184.67 1joq n GLN 106 N -4.28 2.08 -3.88 0.20 7.27 -0.61 -4.86 117.38 113.30 1joq n GLN 106 Ca -0.01 -1.07 -0.26 0.00 0.07 0.00 0.00 57.00 55.73 1joq n GLN 106 Cb 0.39 -1.54 -0.00 0.00 2.41 0.00 0.00 30.24 31.50 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 0.53 -0.34 0.00 1.69 0.00 -0.91 -4.68 105.19 101.49 1joq n GLY 107 Ca 0.10 0.19 0.03 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 -4.36 0.23 -4.03 0.99 4.77 -0.89 -3.34 117.00 110.38 1joq n LEU 108 Ca -0.28 -0.40 -0.09 0.00 -0.03 0.00 0.00 56.01 55.21 1joq n LEU 108 Cb 0.67 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.68 1joq n LEU 108 CO 0.73 0.06 -0.20 0.00 -1.33 0.00 0.00 177.39 176.65 1joq s ALA 109 N -1.75 0.34 0.19 -1.18 0.00 -1.25 -4.15 121.76 113.96 1joq s ALA 109 Ca 0.01 -1.09 0.10 0.00 0.00 0.00 0.00 51.96 50.99 1joq s ALA 109 Cb 0.05 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 1joq s ALA 109 CO 0.25 -0.51 -0.20 -1.59 0.00 0.00 0.00 175.76 173.72 1joq s LYS 110 N -3.96 1.41 0.17 0.00 -2.85 -1.05 -4.57 119.74 108.88 1joq s LYS 110 Ca 0.14 -1.51 -0.25 0.00 -1.00 0.00 0.00 55.97 53.35 1joq s LYS 110 Cb 0.06 -1.52 -0.08 0.00 -2.06 0.00 0.00 37.83 34.23 1joq s LYS 110 CO -0.04 0.31 0.77 0.08 0.10 0.00 0.00 175.35 176.57 1joq s VAL 111 N -2.10 4.37 0.18 1.79 1.01 -1.26 -0.92 120.40 123.47 1joq s VAL 111 Ca 0.20 1.70 -0.14 0.00 0.00 0.00 0.00 61.98 63.73 1joq s VAL 111 Cb -0.06 -4.13 0.05 0.00 0.00 0.00 0.00 36.38 32.24 1joq s VAL 111 CO 0.09 0.52 0.69 0.00 0.00 0.00 0.00 175.10 176.40 1joq n ALA 112 N 1.59 -1.74 -3.14 5.51 0.00 -0.93 -4.88 120.51 116.92 1joq n ALA 112 Ca -0.06 -0.80 -0.18 0.00 0.00 0.00 0.00 53.44 52.41 1joq n ALA 112 Cb 0.49 0.52 0.02 0.00 0.00 0.00 0.00 19.45 20.47 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 -0.48 -2.71 -3.77 0.00 4.01 -1.26 -3.82 117.16 109.12 1joq n TYR 113 Ca -0.03 1.13 -0.34 0.00 -0.16 0.00 0.00 57.90 58.50 1joq n TYR 113 Cb 0.42 -2.71 -0.10 0.00 -0.31 0.00 0.00 39.34 36.65 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 -1.78 3.52 -0.22 -0.72 1.01 -1.26 -4.16 120.40 116.79 1joq s VAL 114 Ca 0.23 -3.38 -0.05 0.00 0.00 0.00 0.00 61.98 58.78 1joq s VAL 114 Cb -0.04 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 1joq s VAL 114 CO 0.69 -0.92 -0.02 -0.31 0.00 0.00 0.00 175.10 174.54 1joq s TYR 115 N -0.55 2.99 0.46 5.22 2.02 -1.26 -5.01 117.35 121.23 1joq s TYR 115 Ca 0.20 -0.74 -0.10 0.00 -0.37 0.00 0.00 57.07 56.06 1joq s TYR 115 Cb -0.17 -2.12 -0.06 0.00 -0.40 0.00 0.00 41.96 39.22 1joq s TYR 115 CO -0.06 -0.44 0.83 -1.59 -1.57 0.00 0.00 175.55 172.72 1joq s LYS 116 N 1.37 3.73 -0.00 -0.62 -2.85 -1.26 0.42 119.74 120.52 1joq s LYS 116 Ca 0.04 0.51 0.00 0.00 -1.00 0.00 0.00 55.97 55.53 1joq s LYS 116 Cb -0.14 -2.32 0.02 0.00 -2.06 0.00 0.00 37.83 33.33 1joq s LYS 116 CO -0.01 -0.17 0.53 -0.35 0.10 0.00 0.00 175.35 175.45 1joq n PRO 117 N -1.72 1.08 -1.64 1.78 -0.04 -1.26 -4.95 135.00 128.24 1joq n PRO 117 Ca 0.03 -0.07 -0.35 0.00 -0.04 0.00 0.00 63.50 63.07 1joq n PRO 117 Cb 0.54 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.01 7.79 -0.98 3.54 4.13 0.17 -3.99 115.26 125.92 1joq n ASN 118 Ca 0.01 -2.93 -0.02 0.00 1.68 0.00 0.00 54.58 53.31 1joq n ASN 118 Cb 0.27 -1.40 -0.03 0.00 -1.54 0.00 0.00 39.78 37.08 1joq n ASN 118 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1joq n ASN 119 N 2.19 -0.19 -0.27 6.41 0.23 -1.23 -4.11 115.26 118.28 1joq n ASN 119 Ca 0.64 -1.81 0.14 0.00 -0.53 0.00 0.00 54.58 53.01 1joq n ASN 119 Cb 0.34 0.04 0.40 0.00 -2.08 0.00 0.00 39.78 38.48 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 5.73 0.79 -0.63 5.53 2.02 -1.94 0.54 112.91 124.95 1joq h THR 120 Ca -0.32 -0.22 -0.41 0.00 0.77 0.00 0.00 66.41 66.24 1joq h THR 120 Cb 1.46 0.09 -0.17 0.00 -1.74 0.00 0.00 68.15 67.79 1joq h THR 120 CO -0.10 0.12 0.50 1.41 0.37 0.00 0.00 175.52 177.82 1joq n HIS 121 N -4.57 1.86 0.07 3.16 8.25 -1.26 -4.25 115.22 118.47 1joq n HIS 121 Ca 0.18 -2.16 0.07 0.00 -0.26 0.00 0.00 57.72 55.55 1joq n HIS 121 Cb 0.53 -1.08 -0.04 0.00 1.12 0.00 0.00 29.99 30.52 1joq n HIS 121 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1joq n GLU 122 N 0.16 0.61 -0.04 -0.41 0.00 0.18 -3.63 120.64 117.51 1joq n GLU 122 Ca 0.38 0.16 -0.00 0.00 0.00 0.00 0.00 57.16 57.69 1joq n GLU 122 Cb 0.59 -1.81 -0.00 0.00 0.00 0.00 0.00 31.44 30.21 1joq n GLU 122 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 1joq h GLN 123 N 0.00 -0.00 -0.97 5.31 1.08 -1.81 -2.59 115.11 116.12 1joq h GLN 123 Ca -0.07 0.00 0.24 0.00 -1.45 0.00 0.00 58.65 57.37 1joq h GLN 123 Cb 1.24 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.60 1joq h GLN 123 CO 0.02 -0.00 0.65 1.25 -0.95 0.00 0.00 178.83 179.79 1joq h LEU 124 N -0.88 0.36 -0.11 1.46 5.85 -1.88 -0.11 115.31 120.02 1joq h LEU 124 Ca -0.00 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1joq h LEU 124 Cb 0.00 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1joq h LEU 124 CO 0.00 0.11 -0.15 -0.07 -0.34 0.00 0.00 178.44 177.99 1joq h LEU 125 N 0.34 0.32 -2.72 2.25 3.38 -1.66 -2.59 115.31 114.63 1joq h LEU 125 Ca 0.52 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1joq h LEU 125 Cb 1.42 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 1joq h LEU 125 CO -0.20 0.78 0.00 0.03 0.09 0.00 0.00 178.44 179.15 1joq h ARG 126 N -0.14 0.00 0.00 1.13 3.08 -0.63 -0.07 114.38 117.75 1joq h ARG 126 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1joq h ARG 126 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1joq h ARG 126 CO 0.04 0.00 0.00 1.17 -1.07 0.00 0.00 179.97 180.11 1joq n LYS 127 N -3.47 0.00 0.30 0.04 3.00 -0.67 -2.33 118.16 115.03 1joq n LYS 127 Ca -0.03 0.40 0.15 0.00 -0.00 0.00 0.00 58.31 58.82 1joq n LYS 127 Cb 0.08 -0.95 0.72 0.00 0.00 0.00 0.00 35.03 34.88 1joq n LYS 127 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1joq h SER 128 N 0.00 0.00 -0.01 3.14 0.02 -1.44 0.64 113.55 115.89 1joq h SER 128 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1joq h SER 128 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1joq h SER 128 CO 0.00 0.00 -0.24 -0.08 -1.14 0.00 0.00 176.83 175.37 1joq h GLU 129 N 0.00 0.19 -0.35 3.45 4.57 -1.07 -1.88 114.58 119.48 1joq h GLU 129 Ca 0.03 -0.18 -0.06 0.00 -1.18 0.00 0.00 59.36 57.97 1joq h GLU 129 Cb 0.88 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.50 1joq h GLU 129 CO -0.00 0.90 -0.02 0.00 -1.18 0.00 0.00 179.01 178.70 1joq h ALA 130 N 0.29 1.30 -0.13 2.92 0.00 -0.49 -0.79 119.26 122.37 1joq h ALA 130 Ca -0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1joq h ALA 130 Cb 0.97 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1joq h ALA 130 CO 0.05 0.47 -0.04 0.37 0.00 0.00 0.00 179.25 180.10 1joq h GLN 131 N 0.53 0.26 0.00 0.00 5.75 -1.39 -2.61 115.11 117.65 1joq h GLN 131 Ca 0.11 -0.11 -0.03 0.00 -0.15 0.00 0.00 58.65 58.48 1joq h GLN 131 Cb 0.38 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.91 1joq h GLN 131 CO 0.01 0.57 -0.14 0.00 -2.65 0.00 0.00 178.83 176.62 1joq h ALA 132 N 0.69 1.64 -0.26 3.38 0.00 -1.06 -0.57 119.26 123.08 1joq h ALA 132 Ca 0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1joq h ALA 132 Cb 0.48 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1joq h ALA 132 CO 0.02 0.18 0.02 0.87 0.00 0.00 0.00 179.25 180.33 1joq h LYS 133 N 0.00 0.45 0.00 0.00 1.57 -0.83 -0.89 116.57 116.87 1joq h LYS 133 Ca -0.00 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1joq h LYS 133 Cb 0.27 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1joq h LYS 133 CO 0.02 0.60 0.00 1.63 -0.57 0.00 0.00 179.45 181.13 1joq n LYS 134 N -4.64 0.18 0.13 3.15 4.76 -0.94 -2.85 118.16 117.94 1joq n LYS 134 Ca -0.03 0.21 0.11 0.00 -2.87 0.00 0.00 58.31 55.72 1joq n LYS 134 Cb 0.23 -1.73 0.04 0.00 -1.84 0.00 0.00 35.03 31.72 1joq n LYS 134 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1joq h GLU 135 N 0.00 0.00 -6.25 1.97 4.39 -0.58 -3.48 114.58 110.62 1joq h GLU 135 Ca 0.00 0.00 -0.39 0.00 0.34 0.00 0.00 59.36 59.31 1joq h GLU 135 Cb 0.59 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 29.29 1joq h GLU 135 CO 0.00 0.03 -0.83 1.63 -1.16 0.00 0.00 179.01 178.68 1joq n LYS 136 N -2.80 -1.22 -3.43 2.33 5.02 -0.39 -4.83 118.16 112.84 1joq n LYS 136 Ca 0.00 0.66 -0.43 0.00 -2.02 0.00 0.00 58.31 56.52 1joq n LYS 136 Cb 0.57 -3.87 -0.10 0.00 -0.02 0.00 0.00 35.03 31.61 1joq n LYS 136 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1joq s LEU 137 N -5.83 5.01 0.00 -0.35 0.20 -1.25 -3.06 118.68 113.40 1joq s LEU 137 Ca 0.30 -0.81 0.00 0.00 0.69 0.00 0.00 54.13 54.32 1joq s LEU 137 Cb -0.12 -2.22 0.00 0.00 -0.43 0.00 0.00 46.19 43.42 1joq s LEU 137 CO 0.86 -0.47 0.00 0.59 -0.29 0.00 0.00 176.35 177.04 1joq n ASN 138 N 5.28 0.00 0.08 3.68 3.02 -1.26 -3.34 115.26 122.71 1joq n ASN 138 Ca -0.10 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.39 1joq n ASN 138 Cb 0.47 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.61 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 -0.55 117.51 119.53 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 -3.36 0.00 0.13 1.37 7.02 -1.21 -2.70 117.44 118.68 1joq n TRP 140 Ca -0.04 0.00 0.19 0.00 -1.02 0.00 0.00 57.50 56.63 1joq n TRP 140 Cb 0.15 -0.41 0.65 0.00 -2.42 0.00 0.00 31.31 29.27 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 0.00 -0.74 -0.99 0.87 -1.01 -3.38 113.55 108.30 1joq h SER 141 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1joq h SER 141 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1joq h SER 141 CO 0.00 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 175.68 1joq n GLU 142 N -3.31 3.62 -3.15 2.24 1.02 -1.10 -4.92 120.64 115.04 1joq n GLU 142 Ca 0.07 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.26 1joq n GLU 142 Cb 0.74 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 32.16 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 -1.00 -0.60 0.63 1.62 2.15 -1.26 -4.96 116.67 113.24 1joq s ASP 143 Ca 0.00 0.10 0.00 0.00 0.43 0.00 0.00 52.55 53.08 1joq s ASP 143 Cb 0.00 1.39 0.00 0.00 -0.30 0.00 0.00 42.92 44.01 1joq s ASP 143 CO 0.00 -0.11 0.00 -3.20 -0.17 0.00 0.00 175.17 171.69 1joq n ASN 144 N 5.19 -5.23 -3.59 -0.34 5.15 -1.26 -4.68 115.26 110.50 1joq n ASN 144 Ca 0.07 0.34 -0.29 0.00 -0.60 0.00 0.00 54.58 54.10 1joq n ASN 144 Cb 0.57 -0.99 -0.14 0.00 -0.53 0.00 0.00 39.78 38.70 1joq n ASN 144 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1joq s ALA 145 N -1.83 1.22 0.16 5.20 0.00 -1.26 -5.11 121.76 120.14 1joq s ALA 145 Ca 0.00 -1.77 -0.16 0.00 0.00 0.00 0.00 51.96 50.04 1joq s ALA 145 Cb 0.00 -1.61 0.03 0.00 0.00 0.00 0.00 23.12 21.54 1joq s ALA 145 CO 0.00 -1.89 0.44 -0.51 0.00 0.00 0.00 175.76 173.80 1joq s ASP 146 N 1.31 -0.21 -0.38 0.00 1.01 -1.26 -4.91 116.67 112.22 1joq s ASP 146 Ca 0.14 -0.47 0.00 0.00 0.71 0.00 0.00 52.55 52.93 1joq s ASP 146 Cb -0.20 0.52 0.00 0.00 1.01 0.00 0.00 42.92 44.24 1joq s ASP 146 CO -0.14 -0.95 0.00 -1.20 0.21 0.00 0.00 175.17 173.09 1joq n SER 147 N -0.28 -2.36 -4.73 0.27 7.64 -1.26 -5.00 113.62 107.89 1joq n SER 147 Ca -0.12 0.02 -0.40 0.00 1.01 0.00 0.00 58.87 59.38 1joq n SER 147 Cb 0.63 -1.40 -0.05 0.00 -1.01 0.00 0.00 64.21 62.39 1joq n SER 147 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1joq s GLY 148 N -2.84 2.73 0.00 0.23 0.00 -1.26 -5.33 107.32 100.85 1joq s GLY 148 Ca 0.00 0.24 0.20 0.00 0.00 0.00 0.00 44.72 45.16 1joq s GLY 148 CO 0.00 1.16 1.60 -1.06 0.00 0.00 0.00 173.10 174.80