#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1joq n THR 2 N 0.00 2.73 -3.10 0.00 5.66 -1.26 -4.97 114.28 113.34 1joq n THR 2 Ca 0.00 -3.36 -0.14 0.00 -3.05 0.00 0.00 64.05 57.50 1joq n THR 2 Cb 0.00 -0.77 0.01 0.00 -1.55 0.00 0.00 70.33 68.02 1joq n THR 2 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1joq n SER 3 N -0.94 -7.20 -0.02 1.09 7.64 -1.26 -4.93 113.62 108.00 1joq n SER 3 Ca 0.42 0.15 0.08 0.00 1.01 0.00 0.00 58.87 60.53 1joq n SER 3 Cb 0.93 -4.36 -0.15 0.00 -1.01 0.00 0.00 64.21 59.62 1joq n SER 3 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1joq n THR 4 N -0.78 0.16 0.00 0.44 -1.04 -1.26 -4.98 114.28 106.81 1joq n THR 4 Ca 0.02 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.53 1joq n THR 4 Cb 0.53 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 1joq n THR 4 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1joq n LYS 5 N -2.25 0.00 -2.67 -2.82 5.02 -1.26 -3.03 118.16 111.14 1joq n LYS 5 Ca -0.07 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.18 1joq n LYS 5 Cb 0.59 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.66 1joq n LYS 5 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1joq n LYS 6 N 0.00 0.29 -0.04 1.97 4.81 -1.26 -5.14 118.16 118.78 1joq n LYS 6 Ca 0.00 -0.86 0.01 0.00 -0.87 0.00 0.00 58.31 56.59 1joq n LYS 6 Cb 0.00 -0.14 -0.00 0.00 0.02 0.00 0.00 35.03 34.91 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 -0.02 0.00 -3.86 3.14 4.77 -1.17 -4.90 117.00 114.96 1joq n LEU 7 Ca -0.14 0.04 -0.11 0.00 -0.03 0.00 0.00 56.01 55.77 1joq n LEU 7 Cb 0.71 -0.12 -0.11 0.00 -2.33 0.00 0.00 43.42 41.57 1joq n LEU 7 CO -0.10 -1.29 -0.20 -2.28 -1.33 0.00 0.00 177.39 172.20 1joq s HIS 8 N -0.07 -0.01 -0.15 -1.77 5.65 -1.26 -5.15 115.29 112.53 1joq s HIS 8 Ca 0.00 0.02 -0.07 0.00 0.25 0.00 0.00 55.06 55.27 1joq s HIS 8 Cb 0.00 -0.02 -0.04 0.00 -1.18 0.00 0.00 32.58 31.34 1joq s HIS 8 CO 0.00 -0.21 0.08 0.15 -0.65 0.00 0.00 174.74 174.11 1joq s LYS 9 N -0.87 3.68 0.29 2.88 1.02 -1.26 -4.56 119.74 120.92 1joq s LYS 9 Ca -0.10 -0.28 0.11 0.00 0.02 0.00 0.00 55.97 55.71 1joq s LYS 9 Cb -0.05 -3.15 -0.05 0.00 -0.52 0.00 0.00 37.83 34.05 1joq s LYS 9 CO 0.01 0.49 -0.10 -1.21 -0.92 0.00 0.00 175.35 173.62 1joq s GLU 10 N -0.23 1.94 0.75 1.68 0.41 -0.61 -4.95 118.70 117.68 1joq s GLU 10 Ca 0.09 -1.69 -0.09 0.00 -0.41 0.00 0.00 54.97 52.87 1joq s GLU 10 Cb -0.12 -1.90 0.08 0.00 -1.78 0.00 0.00 34.13 30.41 1joq s GLU 10 CO 0.01 0.28 1.09 -1.25 -0.49 0.00 0.00 175.26 174.90 1joq s PRO 11 N -3.60 2.03 0.31 0.39 0.04 -1.26 0.05 135.00 132.96 1joq s PRO 11 Ca 0.32 -0.14 -0.19 0.00 0.04 0.00 0.00 61.00 61.02 1joq s PRO 11 Cb -0.04 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.46 1joq s PRO 11 CO 0.17 -1.43 0.77 0.00 0.04 0.00 0.00 177.00 176.55 1joq s ALA 12 N -3.40 -1.07 -0.08 8.56 0.00 0.12 -4.44 121.76 121.46 1joq s ALA 12 Ca 0.62 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.14 1joq s ALA 12 Cb -0.10 0.77 0.01 0.00 0.00 0.00 0.00 23.12 23.80 1joq s ALA 12 CO 0.47 -1.02 -0.15 0.99 0.00 0.00 0.00 175.76 176.04 1joq s THR 13 N -3.22 1.39 -0.38 0.00 2.01 -0.63 -4.50 115.64 110.31 1joq s THR 13 Ca 0.13 -0.63 -0.29 0.00 0.31 0.00 0.00 61.69 61.21 1joq s THR 13 Cb -0.05 -1.25 0.01 0.00 0.01 0.00 0.00 72.50 71.22 1joq s THR 13 CO 0.08 0.41 1.24 -0.22 -0.69 0.00 0.00 174.62 175.45 1joq s LEU 14 N 0.61 3.75 -0.22 4.42 2.96 -1.26 0.12 118.68 129.06 1joq s LEU 14 Ca -0.15 0.86 -0.18 0.00 -0.22 0.00 0.00 54.13 54.44 1joq s LEU 14 Cb -0.16 -3.54 -0.18 0.00 0.50 0.00 0.00 46.19 42.80 1joq s LEU 14 CO 0.05 -1.18 0.09 -0.38 -1.32 0.00 0.00 176.35 173.61 1joq n ILE 15 N 6.54 1.55 -3.64 6.68 5.41 -0.47 -4.95 119.36 130.49 1joq n ILE 15 Ca 0.14 -0.17 -0.03 0.00 1.00 0.00 0.00 62.75 63.68 1joq n ILE 15 Cb 0.48 -1.97 -0.07 0.00 -0.71 0.00 0.00 39.64 37.38 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 -2.42 0.33 0.34 0.38 2.47 -1.06 -5.03 119.74 114.75 1joq s LYS 16 Ca -0.31 0.51 -0.23 0.00 -1.56 0.00 0.00 55.97 54.38 1joq s LYS 16 Cb 0.08 0.10 -0.10 0.00 -1.46 0.00 0.00 37.83 36.45 1joq s LYS 16 CO 0.58 -0.06 0.91 0.00 0.16 0.00 0.00 175.35 176.94 1joq s ALA 17 N 0.92 3.20 0.00 3.13 0.00 -1.26 -1.60 121.76 126.15 1joq s ALA 17 Ca -0.05 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.34 1joq s ALA 17 Cb -0.04 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.97 1joq s ALA 17 CO -0.12 0.19 0.00 -0.89 0.00 0.00 0.00 175.76 174.94 1joq n ILE 18 N 0.24 0.00 -2.79 0.00 5.41 -0.88 -4.90 119.36 116.44 1joq n ILE 18 Ca 0.03 0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.85 1joq n ILE 18 Cb 0.51 -0.90 0.00 0.00 -0.71 0.00 0.00 39.64 38.54 1joq n ILE 18 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1joq n ASP 19 N -1.82 1.51 -0.02 4.38 2.03 -0.58 -4.97 116.55 117.09 1joq n ASP 19 Ca 0.00 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.44 1joq n ASP 19 Cb 0.00 0.00 0.36 0.00 -0.72 0.00 0.00 41.12 40.76 1joq n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1joq n GLY 20 N 4.79 -1.27 0.00 0.27 0.00 -1.26 -3.90 105.19 103.82 1joq n GLY 20 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.44 0.66 -3.94 1.61 5.68 -1.26 -4.80 116.55 113.05 1joq n ASP 21 Ca 0.07 -1.22 -0.26 0.00 -0.50 0.00 0.00 54.79 52.88 1joq n ASP 21 Cb 0.33 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.15 1joq n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1joq s THR 22 N -0.22 1.06 -0.01 2.12 2.01 -1.25 -2.19 115.64 117.15 1joq s THR 22 Ca 0.00 -0.35 -0.01 0.00 0.31 0.00 0.00 61.69 61.64 1joq s THR 22 Cb 0.00 -1.04 0.00 0.00 0.01 0.00 0.00 72.50 71.48 1joq s THR 22 CO 0.00 0.36 0.03 0.68 -0.69 0.00 0.00 174.62 175.00 1joq s VAL 23 N 1.36 -0.00 -0.17 3.82 -7.23 -0.78 -1.53 120.40 115.86 1joq s VAL 23 Ca -0.02 0.01 -0.14 0.00 -1.81 0.00 0.00 61.98 60.03 1joq s VAL 23 Cb -0.14 -0.05 -0.05 0.00 0.56 0.00 0.00 36.38 36.71 1joq s VAL 23 CO -0.04 0.00 0.28 -0.54 -0.31 0.00 0.00 175.10 174.50 1joq s LYS 24 N 0.07 4.23 0.00 4.82 1.02 -0.62 -0.81 119.74 128.45 1joq s LYS 24 Ca -0.00 0.06 0.00 0.00 0.02 0.00 0.00 55.97 56.04 1joq s LYS 24 Cb -0.01 -3.45 0.00 0.00 -0.52 0.00 0.00 37.83 33.85 1joq s LYS 24 CO -0.00 0.20 0.00 1.28 -0.92 0.00 0.00 175.35 175.90 1joq n LEU 25 N 3.73 0.00 -3.90 3.17 4.77 -0.98 -1.36 117.00 122.43 1joq n LEU 25 Ca -0.12 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.60 1joq n LEU 25 Cb 0.52 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.44 1joq n LEU 25 CO 0.39 0.00 -0.43 -0.32 -1.33 0.00 0.00 177.39 175.70 1joq s MET 26 N -1.48 1.39 -0.23 3.23 1.75 0.12 -2.40 119.30 121.67 1joq s MET 26 Ca 0.00 -0.21 -0.04 0.00 -1.25 0.00 0.00 55.69 54.19 1joq s MET 26 Cb 0.00 -1.45 -0.00 0.00 2.84 0.00 0.00 34.83 36.22 1joq s MET 26 CO 0.00 -0.23 -0.03 -0.47 -0.65 0.00 0.00 175.02 173.64 1joq s TYR 27 N 1.59 2.99 0.00 4.11 5.04 -0.42 -1.61 117.35 129.06 1joq s TYR 27 Ca 0.02 -1.03 0.00 0.00 -2.44 0.00 0.00 57.07 53.62 1joq s TYR 27 Cb -0.13 -2.12 0.00 0.00 0.35 0.00 0.00 41.96 40.06 1joq s TYR 27 CO -0.06 -0.58 0.00 1.63 -1.34 0.00 0.00 175.55 175.20 1joq n LYS 28 N 4.79 -0.96 0.00 4.97 4.01 -1.26 -1.70 118.16 128.01 1joq n LYS 28 Ca -0.18 0.24 0.00 0.00 -0.51 0.00 0.00 58.31 57.86 1joq n LYS 28 Cb 0.50 -4.12 0.00 0.00 -0.51 0.00 0.00 35.03 30.90 1joq n LYS 28 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1joq n GLY 29 N -0.86 1.03 3.47 0.72 0.00 -1.26 -5.09 105.19 103.20 1joq n GLY 29 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.44 2.48 -0.44 1.61 0.74 -0.69 -5.08 119.66 117.84 1joq s GLN 30 Ca 0.00 -0.71 -0.29 0.00 0.05 0.00 0.00 55.36 54.41 1joq s GLN 30 Cb 0.00 -2.36 0.03 0.00 1.10 0.00 0.00 33.01 31.78 1joq s GLN 30 CO 0.00 0.62 1.12 -1.25 -0.55 0.00 0.00 175.29 175.23 1joq s PRO 31 N -0.72 3.80 -0.12 1.67 0.04 -1.26 -1.30 135.00 137.11 1joq s PRO 31 Ca 0.11 0.68 -0.10 0.00 0.04 0.00 0.00 61.00 61.73 1joq s PRO 31 Cb -0.11 -3.87 0.03 0.00 0.04 0.00 0.00 34.50 30.60 1joq s PRO 31 CO 0.00 -1.27 0.30 1.41 0.04 0.00 0.00 177.00 177.49 1joq s MET 32 N 4.27 0.35 0.81 4.56 1.75 -1.01 -5.02 119.30 125.01 1joq s MET 32 Ca 0.47 0.45 -0.12 0.00 -1.25 0.00 0.00 55.69 55.24 1joq s MET 32 Cb -0.08 0.14 0.08 0.00 2.84 0.00 0.00 34.83 37.81 1joq s MET 32 CO 0.28 -0.06 1.18 -0.08 -0.65 0.00 0.00 175.02 175.69 1joq s THR 33 N 0.30 2.01 -0.01 10.11 -1.32 -1.26 -2.31 115.64 123.16 1joq s THR 33 Ca -0.01 -0.01 -0.13 0.00 -1.21 0.00 0.00 61.69 60.33 1joq s THR 33 Cb -0.03 -3.00 0.02 0.00 -1.51 0.00 0.00 72.50 67.98 1joq s THR 33 CO -0.01 0.00 0.27 -0.36 -2.21 0.00 0.00 174.62 172.31 1joq s PHE 34 N -3.58 -0.13 0.11 9.09 0.40 0.01 -1.53 117.98 122.35 1joq s PHE 34 Ca 0.62 0.16 0.09 0.00 -0.60 0.00 0.00 56.93 57.20 1joq s PHE 34 Cb -0.11 0.06 -0.04 0.00 0.51 0.00 0.00 43.02 43.45 1joq s PHE 34 CO 0.49 -0.37 -0.22 1.03 0.70 0.00 0.00 175.22 176.86 1joq s ARG 35 N -1.35 1.16 0.03 0.44 1.81 -0.79 -1.86 118.95 118.39 1joq s ARG 35 Ca -0.14 -1.19 -0.30 0.00 -1.72 0.00 0.00 55.73 52.38 1joq s ARG 35 Cb -0.06 -1.46 -0.07 0.00 -0.45 0.00 0.00 34.95 32.91 1joq s ARG 35 CO 0.04 0.34 1.57 -0.51 -0.68 0.00 0.00 175.30 176.05 1joq s LEU 36 N -1.92 4.34 0.24 2.53 1.43 -0.93 -4.05 118.68 120.32 1joq s LEU 36 Ca 0.07 2.32 -0.14 0.00 -1.03 0.00 0.00 54.13 55.36 1joq s LEU 36 Cb -0.10 -3.56 -0.08 0.00 0.03 0.00 0.00 46.19 42.48 1joq s LEU 36 CO 0.04 -0.84 0.64 -0.76 0.23 0.00 0.00 176.35 175.67 1joq s LEU 37 N 2.76 4.20 0.00 1.79 1.43 -1.26 -3.84 118.68 123.75 1joq s LEU 37 Ca 0.70 1.15 0.00 0.00 -1.03 0.00 0.00 54.13 54.96 1joq s LEU 37 Cb -0.36 -3.72 0.00 0.00 0.03 0.00 0.00 46.19 42.14 1joq s LEU 37 CO 0.30 -0.06 0.00 0.18 0.23 0.00 0.00 176.35 176.99 1joq n LEU 38 N 0.12 0.69 -3.87 1.79 4.77 -1.26 -4.92 117.00 114.32 1joq n LEU 38 Ca -0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1joq n LEU 38 Cb 0.52 -1.83 -0.05 0.00 -2.33 0.00 0.00 43.42 39.73 1joq n LEU 38 CO 0.43 -0.67 0.21 0.54 -1.33 0.00 0.00 177.39 176.57 1joq s VAL 39 N -1.34 0.02 0.16 4.08 0.11 -1.24 -2.33 120.40 119.85 1joq s VAL 39 Ca 0.00 -1.10 -0.21 0.00 -2.93 0.00 0.00 61.98 57.75 1joq s VAL 39 Cb 0.00 -1.85 0.06 0.00 -1.53 0.00 0.00 36.38 33.05 1joq s VAL 39 CO 0.00 -0.10 0.54 -0.62 -3.33 0.00 0.00 175.10 171.59 1joq s ASP 40 N -2.94 -0.44 0.17 3.54 -1.08 -0.88 -4.71 116.67 110.32 1joq s ASP 40 Ca 0.15 -0.14 -0.01 0.00 -0.52 0.00 0.00 52.55 52.02 1joq s ASP 40 Cb -0.01 0.57 -0.04 0.00 -1.46 0.00 0.00 42.92 41.98 1joq s ASP 40 CO 0.02 -0.96 0.09 0.42 0.52 0.00 0.00 175.17 175.27 1joq s THR 41 N -3.78 0.06 0.41 1.71 -4.23 -1.26 -2.59 115.64 105.95 1joq s THR 41 Ca 0.02 -1.96 -0.24 0.00 -1.18 0.00 0.00 61.69 58.33 1joq s THR 41 Cb -0.00 -2.28 -0.08 0.00 1.34 0.00 0.00 72.50 71.47 1joq s THR 41 CO -0.11 -0.23 1.12 -2.16 -0.54 0.00 0.00 174.62 172.70 1joq s PRO 42 N -4.10 4.06 0.35 3.99 0.04 -1.26 -4.90 135.00 133.17 1joq s PRO 42 Ca 0.32 1.69 0.04 0.00 0.04 0.00 0.00 61.00 63.09 1joq s PRO 42 Cb 0.07 -2.59 0.06 0.00 0.04 0.00 0.00 34.50 32.09 1joq s PRO 42 CO 0.07 -0.28 0.49 0.39 0.04 0.00 0.00 177.00 177.71 1joq n GLU 43 N -0.06 0.64 -1.92 4.56 1.02 -1.26 -4.69 120.64 118.94 1joq n GLU 43 Ca 0.05 -1.75 -0.37 0.00 -0.02 0.00 0.00 57.16 55.07 1joq n GLU 43 Cb 0.48 -0.19 -0.02 0.00 -0.02 0.00 0.00 31.44 31.69 1joq n GLU 43 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1joq n THR 44 N -1.84 4.78 -1.92 2.62 -2.24 -1.26 -4.50 114.28 109.91 1joq n THR 44 Ca 0.09 -4.13 -0.38 0.00 -2.27 0.00 0.00 64.05 57.36 1joq n THR 44 Cb 0.35 -1.87 -0.01 0.00 -2.10 0.00 0.00 70.33 66.69 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 1.27 4.32 -1.62 -0.78 5.02 -1.26 -4.99 118.16 120.12 1joq n LYS 45 Ca 0.57 -3.31 -0.44 0.00 -2.02 0.00 0.00 58.31 53.11 1joq n LYS 45 Cb 0.33 -2.57 -0.01 0.00 -0.02 0.00 0.00 35.03 32.76 1joq n LYS 45 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1joq n HIS 46 N 1.62 1.52 0.00 2.13 8.25 -1.26 -4.95 115.22 122.53 1joq n HIS 46 Ca 0.61 0.66 0.00 0.00 -0.26 0.00 0.00 57.72 58.73 1joq n HIS 46 Cb 0.29 -2.29 0.00 0.00 1.12 0.00 0.00 29.99 29.11 1joq n HIS 46 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1joq n PRO 47 N 0.67 0.00 0.07 -0.41 -0.04 -1.26 -5.05 135.00 128.97 1joq n PRO 47 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1joq n PRO 47 Cb 0.33 -0.44 0.00 0.00 -0.04 0.00 0.00 33.50 33.35 1joq n PRO 47 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1joq n LYS 48 N -0.45 0.00 -2.57 0.54 4.81 -1.26 -4.98 118.16 114.25 1joq n LYS 48 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 1joq n LYS 48 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1joq n LYS 48 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1joq n LYS 49 N -2.82 3.38 -1.18 1.64 5.02 -1.26 -4.93 118.16 118.01 1joq n LYS 49 Ca 0.00 -3.54 0.14 0.00 -2.02 0.00 0.00 58.31 52.89 1joq n LYS 49 Cb 0.00 -3.09 -0.05 0.00 -0.02 0.00 0.00 35.03 31.87 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 3.83 -1.81 3.11 0.72 0.00 -1.26 -4.91 105.19 104.86 1joq n GLY 50 Ca 0.41 -0.82 -0.17 0.00 0.00 0.00 0.00 46.02 45.44 1joq n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1joq s VAL 51 N -2.83 0.87 -0.14 1.61 0.11 -1.26 -4.54 120.40 114.22 1joq s VAL 51 Ca 0.00 -1.01 0.20 0.00 -2.93 0.00 0.00 61.98 58.24 1joq s VAL 51 Cb 0.00 -0.83 0.45 0.00 -1.53 0.00 0.00 36.38 34.47 1joq s VAL 51 CO 0.00 -0.15 1.17 -0.62 -3.33 0.00 0.00 175.10 172.17 1joq n GLU 52 N 1.74 1.15 -2.54 1.54 1.02 -1.26 -4.83 120.64 117.46 1joq n GLU 52 Ca -0.20 -2.88 -0.28 0.00 -0.02 0.00 0.00 57.16 53.79 1joq n GLU 52 Cb 0.55 -0.98 -0.00 0.00 -0.02 0.00 0.00 31.44 30.98 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 -0.24 3.39 -3.88 3.49 3.00 -1.26 -4.89 118.16 117.77 1joq n LYS 53 Ca 0.13 -4.53 -0.28 0.00 -0.00 0.00 0.00 58.31 53.63 1joq n LYS 53 Cb 0.95 -2.25 0.03 0.00 0.00 0.00 0.00 35.03 33.75 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 -0.44 -2.20 0.00 5.64 4.01 -1.26 -4.92 117.16 117.98 1joq n TYR 54 Ca 0.38 0.89 0.00 0.00 -0.16 0.00 0.00 57.90 59.01 1joq n TYR 54 Cb 0.59 -4.05 0.00 0.00 -0.31 0.00 0.00 39.34 35.57 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 -1.68 -0.74 2.38 2.72 0.00 -1.26 -4.20 105.19 102.40 1joq n GLY 55 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.27 3.86 0.00 1.61 -0.04 -1.26 -4.46 135.00 134.43 1joq n PRO 56 Ca 0.00 -2.51 0.00 0.00 -0.04 0.00 0.00 63.50 60.95 1joq n PRO 56 Cb 0.00 -2.79 0.00 0.00 -0.04 0.00 0.00 33.50 30.67 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 3.31 0.00 -0.30 0.54 2.13 -1.26 -4.59 120.64 120.48 1joq n GLU 57 Ca 0.74 0.00 0.29 0.00 0.66 0.00 0.00 57.16 58.85 1joq n GLU 57 Cb 0.24 0.00 0.66 0.00 0.27 0.00 0.00 31.44 32.61 1joq n GLU 57 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1joq h ALA 58 N 0.00 2.74 0.76 4.31 0.00 -1.82 -0.47 119.26 124.79 1joq h ALA 58 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1joq h ALA 58 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1joq h ALA 58 CO 0.00 -1.09 -0.40 1.03 0.00 0.00 0.00 179.25 178.78 1joq h SER 59 N 0.15 -0.98 0.24 0.00 0.87 -1.82 -1.50 113.55 110.50 1joq h SER 59 Ca 0.55 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 61.15 1joq h SER 59 Cb 1.89 0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 64.12 1joq h SER 59 CO -0.12 -0.66 -0.01 0.00 -0.53 0.00 0.00 176.83 175.51 1joq h ALA 60 N -0.87 1.09 0.16 6.23 0.00 -1.38 -1.49 119.26 123.00 1joq h ALA 60 Ca -0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1joq h ALA 60 Cb 0.84 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1joq h ALA 60 CO 0.15 0.02 -0.08 0.35 0.00 0.00 0.00 179.25 179.68 1joq h PHE 61 N 0.00 -0.20 0.00 0.00 3.57 -0.29 -2.61 116.94 117.40 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 0.14 0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1joq h PHE 61 CO 0.00 -0.13 0.00 1.15 -2.23 0.00 0.00 178.31 177.10 1joq h THR 62 N -0.33 0.00 0.48 4.41 2.02 -1.27 -1.57 112.91 116.64 1joq h THR 62 Ca -0.02 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 1joq h THR 62 Cb 0.17 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1joq h THR 62 CO 0.04 0.00 -0.23 0.50 0.37 0.00 0.00 175.52 176.20 1joq h LYS 63 N 0.00 -0.62 0.00 6.66 3.64 -1.20 -2.07 116.57 122.98 1joq h LYS 63 Ca 0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1joq h LYS 63 Cb 0.09 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1joq h LYS 63 CO 0.00 -0.36 0.00 0.87 -2.27 0.00 0.00 179.45 177.69 1joq h LYS 64 N -1.11 0.00 0.14 1.90 1.57 -1.26 -2.43 116.57 115.38 1joq h LYS 64 Ca -0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1joq h LYS 64 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1joq h LYS 64 CO 0.11 0.00 -0.07 0.52 -0.57 0.00 0.00 179.45 179.44 1joq h MET 65 N 0.00 -0.18 -0.52 3.15 2.86 -1.26 -1.32 114.93 117.66 1joq h MET 65 Ca 0.00 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.73 1joq h MET 65 Cb 0.57 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.24 1joq h MET 65 CO 0.00 -0.12 0.35 -0.39 1.06 0.00 0.00 176.91 177.82 1joq h VAL 66 N -0.50 0.94 -0.29 -2.22 -1.51 -1.46 0.51 116.25 111.72 1joq h VAL 66 Ca -0.02 -0.14 -0.06 0.00 -1.23 0.00 0.00 66.70 65.25 1joq h VAL 66 Cb 0.14 0.50 -0.01 0.00 -2.13 0.00 0.00 31.29 29.80 1joq h VAL 66 CO 0.03 0.07 -0.06 -0.33 -1.23 0.00 0.00 177.57 176.05 1joq h GLU 67 N 0.40 0.56 -0.18 5.19 5.08 -1.50 -2.59 114.58 121.53 1joq h GLU 67 Ca 0.24 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1joq h GLU 67 Cb 0.41 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1joq h GLU 67 CO -0.06 0.75 0.00 0.09 -1.00 0.00 0.00 179.01 178.79 1joq n ASN 68 N -4.50 1.52 -4.68 1.42 3.02 -0.50 -4.87 115.26 106.68 1joq n ASN 68 Ca -0.03 -1.74 -0.42 0.00 -0.03 0.00 0.00 54.58 52.36 1joq n ASN 68 Cb 0.31 -0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.34 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 -1.77 3.61 0.38 5.41 0.00 0.17 -4.88 121.76 124.68 1joq s ALA 69 Ca 0.30 0.90 0.11 0.00 0.00 0.00 0.00 51.96 53.27 1joq s ALA 69 Cb 0.16 -3.64 0.75 0.00 0.00 0.00 0.00 23.12 20.38 1joq s ALA 69 CO 0.24 -1.06 1.86 0.87 0.00 0.00 0.00 175.76 177.67 1joq h LYS 70 N 8.27 0.11 -2.89 0.00 1.79 -1.88 -3.43 116.57 118.54 1joq h LYS 70 Ca -0.38 -0.03 -0.15 0.00 -2.18 0.00 0.00 60.65 57.91 1joq h LYS 70 Cb 1.17 -0.01 -0.27 0.00 -1.58 0.00 0.00 32.23 31.55 1joq h LYS 70 CO 0.92 0.38 -0.36 0.15 -1.08 0.00 0.00 179.45 179.46 1joq s LYS 71 N -4.42 0.34 -0.23 3.15 1.02 -1.26 -5.01 119.74 113.32 1joq s LYS 71 Ca -0.04 0.56 -0.02 0.00 0.02 0.00 0.00 55.97 56.48 1joq s LYS 71 Cb 0.15 0.05 0.01 0.00 -0.52 0.00 0.00 37.83 37.52 1joq s LYS 71 CO 0.73 -0.10 -0.07 0.42 -0.92 0.00 0.00 175.35 175.41 1joq s ILE 72 N 0.77 3.02 -0.07 2.17 1.09 -1.26 -3.19 121.20 123.73 1joq s ILE 72 Ca -0.05 -0.77 0.04 0.00 -1.10 0.00 0.00 60.65 58.77 1joq s ILE 72 Cb -0.06 -2.44 0.00 0.00 -1.06 0.00 0.00 42.46 38.90 1joq s ILE 72 CO -0.05 0.33 -0.20 -1.61 -0.10 0.00 0.00 174.94 173.31 1joq s GLU 73 N 1.39 2.36 -0.02 2.79 2.02 -1.03 0.12 118.70 126.33 1joq s GLU 73 Ca 0.03 -0.72 -0.02 0.00 0.02 0.00 0.00 54.97 54.29 1joq s GLU 73 Cb -0.15 -1.90 -0.04 0.00 0.10 0.00 0.00 34.13 32.14 1joq s GLU 73 CO -0.05 0.20 0.12 0.14 0.02 0.00 0.00 175.26 175.69 1joq s VAL 74 N 0.24 5.02 -0.58 2.63 -7.23 0.11 -0.86 120.40 119.73 1joq s VAL 74 Ca -0.11 -0.26 0.04 0.00 -1.81 0.00 0.00 61.98 59.84 1joq s VAL 74 Cb -0.15 -3.30 0.14 0.00 0.56 0.00 0.00 36.38 33.63 1joq s VAL 74 CO 0.05 0.38 0.33 -0.70 -0.31 0.00 0.00 175.10 174.85 1joq s GLU 75 N -1.70 2.13 0.20 4.82 2.12 0.19 -1.57 118.70 124.88 1joq s GLU 75 Ca 0.23 -2.85 -0.32 0.00 0.36 0.00 0.00 54.97 52.38 1joq s GLU 75 Cb -0.12 -3.35 -0.13 0.00 0.26 0.00 0.00 34.13 30.79 1joq s GLU 75 CO 0.14 -1.16 1.66 1.19 -0.54 0.00 0.00 175.26 176.54 1joq n PHE 76 N 2.75 2.58 -0.22 5.30 3.72 -1.26 -2.18 117.46 128.15 1joq n PHE 76 Ca 0.10 0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.64 1joq n PHE 76 Cb 0.33 -2.62 0.00 0.00 -0.94 0.00 0.00 39.48 36.25 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 3.60 -0.37 -0.08 4.37 -0.08 -1.26 -4.84 116.55 117.89 1joq n ASP 77 Ca 0.16 -0.22 0.10 0.00 -1.51 0.00 0.00 54.79 53.32 1joq n ASP 77 Cb 0.33 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.69 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 -0.59 0.27 0.00 -0.67 -0.00 -1.26 -4.88 118.16 111.02 1joq n LYS 78 Ca 0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.14 1joq n LYS 78 Cb 0.00 -1.49 0.00 0.00 -0.00 0.00 0.00 35.03 33.54 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 1.48 0.25 3.95 2.58 0.00 -1.26 -4.99 105.19 107.20 1joq n GLY 79 Ca 0.05 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 0.49 0.00 1.61 -0.21 -1.26 -5.02 119.66 115.27 1joq s GLN 80 Ca 0.00 -0.63 0.00 0.00 0.02 0.00 0.00 55.36 54.75 1joq s GLN 80 Cb 0.00 -1.89 0.00 0.00 1.00 0.00 0.00 33.01 32.12 1joq s GLN 80 CO 0.00 -2.46 0.00 -2.13 -2.12 0.00 0.00 175.29 168.58 1joq n ARG 81 N -3.74 0.35 -3.83 2.91 0.63 -1.26 -4.67 116.66 107.05 1joq n ARG 81 Ca 0.17 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.98 1joq n ARG 81 Cb 0.59 -0.99 -0.11 0.00 0.45 0.00 0.00 32.46 32.40 1joq n ARG 81 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1joq s THR 82 N -1.95 0.03 0.29 5.15 -4.23 -1.26 -1.47 115.64 112.20 1joq s THR 82 Ca 0.00 -0.28 -0.05 0.00 -1.18 0.00 0.00 61.69 60.18 1joq s THR 82 Cb 0.00 -0.36 0.07 0.00 1.34 0.00 0.00 72.50 73.55 1joq s THR 82 CO 0.00 -0.15 0.39 0.47 -0.54 0.00 0.00 174.62 174.79 1joq n ASP 83 N 2.32 0.04 0.19 3.99 8.00 -0.75 -4.87 116.55 125.47 1joq n ASP 83 Ca -0.17 -1.15 0.14 0.00 0.71 0.00 0.00 54.79 54.33 1joq n ASP 83 Cb 0.57 -0.30 0.54 0.00 -0.02 0.00 0.00 41.12 41.92 1joq n ASP 83 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1joq h LYS 84 N 0.00 0.00 0.00 -1.24 2.10 -2.02 -2.21 116.57 113.20 1joq h LYS 84 Ca -0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 1joq h LYS 84 Cb 0.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 1joq h LYS 84 CO 0.09 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.20 1joq n TYR 85 N -2.63 0.30 -0.49 0.07 4.01 -1.26 -4.88 117.16 112.28 1joq n TYR 85 Ca 0.02 0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 1joq n TYR 85 Cb 0.30 -0.64 0.00 0.00 -0.31 0.00 0.00 39.34 38.68 1joq n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1joq n GLY 86 N 1.43 0.75 3.81 2.72 0.00 -0.83 -5.05 105.19 108.02 1joq n GLY 86 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.51 4.22 0.69 1.61 0.52 -1.26 -4.82 118.95 119.40 1joq s ARG 87 Ca 0.00 0.77 -0.12 0.00 -0.52 0.00 0.00 55.73 55.85 1joq s ARG 87 Cb 0.00 -3.18 0.01 0.00 0.52 0.00 0.00 34.95 32.30 1joq s ARG 87 CO 0.00 0.60 1.07 0.20 0.02 0.00 0.00 175.30 177.19 1joq s GLY 88 N -1.22 1.82 -0.05 -3.53 0.00 -0.58 -1.80 107.32 101.95 1joq s GLY 88 Ca 0.32 0.25 -0.01 0.00 0.00 0.00 0.00 44.72 45.27 1joq s GLY 88 CO 0.20 0.57 0.01 1.08 0.00 0.00 0.00 173.10 174.96 1joq s LEU 89 N -5.32 0.71 0.02 0.66 1.43 -0.54 -1.88 118.68 113.76 1joq s LEU 89 Ca 0.61 -0.04 -0.29 0.00 -1.03 0.00 0.00 54.13 53.38 1joq s LEU 89 Cb -0.16 -0.33 0.10 0.00 0.03 0.00 0.00 46.19 45.83 1joq s LEU 89 CO 0.50 -0.17 1.03 0.00 0.23 0.00 0.00 176.35 177.94 1joq s ALA 90 N 1.69 -1.88 -0.37 4.21 0.00 -1.26 -4.40 121.76 119.75 1joq s ALA 90 Ca -0.00 0.76 -0.26 0.00 0.00 0.00 0.00 51.96 52.46 1joq s ALA 90 Cb -0.13 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.40 1joq s ALA 90 CO -0.03 -0.85 0.93 0.71 0.00 0.00 0.00 175.76 176.51 1joq s TYR 91 N -2.94 3.07 0.32 0.00 2.02 -0.93 -4.30 117.35 114.58 1joq s TYR 91 Ca 0.10 0.77 -0.19 0.00 -0.37 0.00 0.00 57.07 57.37 1joq s TYR 91 Cb -0.00 -3.67 -0.09 0.00 -0.40 0.00 0.00 41.96 37.79 1joq s TYR 91 CO -0.04 -0.84 0.81 0.42 -1.57 0.00 0.00 175.55 174.33 1joq s ILE 92 N 3.51 4.51 -0.06 2.71 1.01 -1.26 -0.64 121.20 130.97 1joq s ILE 92 Ca 0.38 1.30 -0.01 0.00 0.00 0.00 0.00 60.65 62.33 1joq s ILE 92 Cb -0.12 -3.74 0.03 0.00 0.01 0.00 0.00 42.46 38.63 1joq s ILE 92 CO 0.19 -0.05 -0.01 -0.31 0.00 0.00 0.00 174.94 174.76 1joq s TYR 93 N -1.83 0.67 -0.29 3.97 2.02 -0.04 -2.14 117.35 119.71 1joq s TYR 93 Ca 0.52 -0.17 -0.06 0.00 -0.37 0.00 0.00 57.07 56.98 1joq s TYR 93 Cb -0.13 -0.75 0.01 0.00 -0.40 0.00 0.00 41.96 40.68 1joq s TYR 93 CO 0.19 -0.29 0.07 0.00 -1.57 0.00 0.00 175.55 173.95 1joq s ALA 94 N 1.67 3.05 -1.32 3.71 0.00 -0.53 -2.47 121.76 125.87 1joq s ALA 94 Ca 0.01 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.54 1joq s ALA 94 Cb -0.13 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 20.88 1joq s ALA 94 CO -0.04 -0.88 0.00 -0.25 0.00 0.00 0.00 175.76 174.59 1joq n ASP 95 N 4.86 -4.58 0.00 0.00 9.92 -1.19 -1.64 116.55 123.91 1joq n ASP 95 Ca -0.15 0.31 0.00 0.00 -0.53 0.00 0.00 54.79 54.42 1joq n ASP 95 Cb 0.48 -3.18 0.00 0.00 -0.64 0.00 0.00 41.12 37.78 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 -1.34 0.64 3.32 0.44 0.00 -1.26 -5.04 105.19 101.94 1joq n GLY 96 Ca -0.12 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.83 3.35 -0.40 1.61 2.47 -0.65 -5.04 119.74 120.24 1joq s LYS 97 Ca 0.00 -0.66 -0.27 0.00 -1.56 0.00 0.00 55.97 53.47 1joq s LYS 97 Cb 0.00 -2.82 -0.07 0.00 -1.46 0.00 0.00 37.83 33.47 1joq s LYS 97 CO 0.00 -0.04 2.35 -0.12 0.16 0.00 0.00 175.35 177.70 1joq n MET 98 N 4.28 1.33 -0.18 4.03 0.00 -1.26 -1.45 117.12 123.88 1joq n MET 98 Ca -0.18 0.20 -0.03 0.00 -0.00 0.00 0.00 57.70 57.69 1joq n MET 98 Cb 0.51 -3.25 0.04 0.00 0.00 0.00 0.00 33.22 30.53 1joq n MET 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1joq h VAL 99 N 7.49 0.41 -0.81 1.12 2.07 -1.79 0.39 116.25 125.13 1joq h VAL 99 Ca -0.30 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.35 1joq h VAL 99 Cb 1.26 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.39 1joq h VAL 99 CO 1.09 0.00 0.53 0.78 0.02 0.00 0.00 177.57 179.99 1joq h ASN 100 N -0.03 0.60 0.68 0.57 4.21 -1.87 0.16 115.58 119.90 1joq h ASN 100 Ca 0.26 0.03 -0.11 0.00 1.21 0.00 0.00 56.30 57.68 1joq h ASN 100 Cb 0.43 -0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 37.51 1joq h ASN 100 CO -0.57 0.33 -0.52 -0.08 -1.29 0.00 0.00 177.43 175.30 1joq h GLU 101 N 0.65 0.00 -0.23 0.81 4.81 -0.69 -2.47 114.58 117.46 1joq h GLU 101 Ca 0.39 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.51 1joq h GLU 101 Cb 0.62 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1joq h GLU 101 CO -0.16 0.52 -0.34 0.00 -0.73 0.00 0.00 179.01 178.31 1joq h ALA 102 N 1.48 0.99 -0.04 2.92 0.00 0.11 -1.84 119.26 122.88 1joq h ALA 102 Ca -0.01 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 1joq h ALA 102 Cb 1.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1joq h ALA 102 CO 0.07 0.60 -0.30 -0.07 0.00 0.00 0.00 179.25 179.55 1joq h LEU 103 N 0.41 0.34 -0.88 0.00 3.38 -1.25 -2.17 115.31 115.14 1joq h LEU 103 Ca 0.05 -0.69 0.07 0.00 0.09 0.00 0.00 57.88 57.41 1joq h LEU 103 Cb 0.79 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.37 1joq h LEU 103 CO 0.06 0.97 0.54 0.58 0.09 0.00 0.00 178.44 180.69 1joq h VAL 104 N -0.27 1.01 -0.40 1.22 2.07 -1.38 -0.58 116.25 117.92 1joq h VAL 104 Ca -0.03 -0.33 -0.11 0.00 0.82 0.00 0.00 66.70 67.06 1joq h VAL 104 Cb 0.98 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1joq h VAL 104 CO 0.06 0.18 -0.19 -0.09 0.02 0.00 0.00 177.57 177.54 1joq h ARG 105 N 0.96 0.78 0.00 1.57 2.43 -1.34 -1.94 114.38 116.85 1joq h ARG 105 Ca 0.40 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1joq h ARG 105 Cb 0.24 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1joq h ARG 105 CO -0.20 0.91 0.00 0.94 -1.51 0.00 0.00 179.97 180.12 1joq n GLN 106 N -4.13 0.70 -1.80 0.20 -0.06 -0.45 -4.84 117.38 107.00 1joq n GLN 106 Ca 0.00 0.01 -0.14 0.00 -2.00 0.00 0.00 57.00 54.88 1joq n GLN 106 Cb 0.42 -1.50 -0.04 0.00 -4.06 0.00 0.00 30.24 25.06 1joq n GLN 106 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1joq n GLY 107 N 0.78 0.71 0.00 1.69 0.00 -0.35 -4.54 105.19 103.48 1joq n GLY 107 Ca 0.18 -0.33 0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.81 0.51 -4.27 0.99 4.77 -0.61 -2.39 117.00 114.20 1joq n LEU 108 Ca -0.15 -0.27 -0.15 0.00 -0.03 0.00 0.00 56.01 55.41 1joq n LEU 108 Cb 0.54 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.53 1joq n LEU 108 CO 0.21 0.13 -0.26 0.00 -1.33 0.00 0.00 177.39 176.13 1joq s ALA 109 N -3.17 1.50 0.04 -1.18 0.00 -1.18 -4.63 121.76 113.13 1joq s ALA 109 Ca 0.00 -1.78 -0.01 0.00 0.00 0.00 0.00 51.96 50.18 1joq s ALA 109 Cb 0.14 1.08 -0.03 0.00 0.00 0.00 0.00 23.12 24.31 1joq s ALA 109 CO 0.85 -0.48 -0.03 -1.59 0.00 0.00 0.00 175.76 174.51 1joq s LYS 110 N -4.06 0.50 0.17 0.00 -2.85 -1.07 -4.33 119.74 108.10 1joq s LYS 110 Ca 0.36 -1.00 -0.29 0.00 -1.00 0.00 0.00 55.97 54.05 1joq s LYS 110 Cb 0.07 0.17 -0.07 0.00 -2.06 0.00 0.00 37.83 35.95 1joq s LYS 110 CO 0.12 -0.09 0.91 0.08 0.10 0.00 0.00 175.35 176.47 1joq s VAL 111 N -3.03 4.32 0.04 1.79 1.01 -1.26 -2.07 120.40 121.21 1joq s VAL 111 Ca -0.01 2.00 -0.08 0.00 0.00 0.00 0.00 61.98 63.89 1joq s VAL 111 Cb 0.01 -4.29 0.03 0.00 0.00 0.00 0.00 36.38 32.13 1joq s VAL 111 CO -0.07 0.42 0.35 0.00 0.00 0.00 0.00 175.10 175.81 1joq n ALA 112 N 2.09 -0.95 -3.46 5.51 0.00 -0.98 -4.92 120.51 117.80 1joq n ALA 112 Ca -0.01 -0.31 -0.16 0.00 0.00 0.00 0.00 53.44 52.95 1joq n ALA 112 Cb 0.48 0.15 0.01 0.00 0.00 0.00 0.00 19.45 20.10 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 -0.25 -2.40 -3.61 0.00 4.01 -1.26 -3.72 117.16 109.93 1joq n TYR 113 Ca -0.00 0.86 -0.38 0.00 -0.16 0.00 0.00 57.90 58.22 1joq n TYR 113 Cb 0.19 -3.51 -0.11 0.00 -0.31 0.00 0.00 39.34 35.59 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 -3.12 5.13 -0.03 -0.72 1.01 -1.26 -4.30 120.40 117.10 1joq s VAL 114 Ca 0.13 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.12 1joq s VAL 114 Cb -0.04 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.88 1joq s VAL 114 CO 0.82 0.23 0.13 -0.31 0.00 0.00 0.00 175.10 175.97 1joq s TYR 115 N 1.73 -0.06 0.35 5.22 2.02 -1.26 -5.11 117.35 120.24 1joq s TYR 115 Ca 0.07 0.14 -0.05 0.00 -0.37 0.00 0.00 57.07 56.86 1joq s TYR 115 Cb -0.16 0.00 -0.05 0.00 -0.40 0.00 0.00 41.96 41.35 1joq s TYR 115 CO 0.10 -0.15 0.63 0.15 -1.57 0.00 0.00 175.55 174.71 1joq s LYS 116 N -0.51 3.62 -0.12 -0.62 1.02 -1.26 -1.23 119.74 120.64 1joq s LYS 116 Ca -0.06 0.08 0.05 0.00 0.02 0.00 0.00 55.97 56.06 1joq s LYS 116 Cb -0.04 -2.56 0.36 0.00 -0.52 0.00 0.00 37.83 35.07 1joq s LYS 116 CO 0.01 0.09 1.12 -0.35 -0.92 0.00 0.00 175.35 175.30 1joq n PRO 117 N -1.34 2.54 -2.82 -1.68 -0.04 -1.26 -5.00 135.00 125.40 1joq n PRO 117 Ca -0.01 -1.40 -0.44 0.00 -0.04 0.00 0.00 63.50 61.61 1joq n PRO 117 Cb 0.54 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 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 0.19 5.23 -1.77 3.54 3.02 -0.37 -4.31 115.26 120.78 1joq n ASN 118 Ca 0.15 -3.02 -0.03 0.00 -0.03 0.00 0.00 54.58 51.65 1joq n ASN 118 Cb 0.74 -1.54 0.04 0.00 -0.61 0.00 0.00 39.78 38.41 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 5.02 -0.93 -0.04 6.41 0.23 -1.25 -4.12 115.26 120.58 1joq n ASN 119 Ca 0.37 -1.72 -0.11 0.00 -0.53 0.00 0.00 54.58 52.59 1joq n ASN 119 Cb 0.41 0.39 -0.06 0.00 -2.08 0.00 0.00 39.78 38.44 1joq n ASN 119 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1joq h THR 120 N 3.19 1.18 -0.52 5.53 1.03 -1.95 -2.43 112.91 118.94 1joq h THR 120 Ca -0.36 -0.55 -0.24 0.00 -0.01 0.00 0.00 66.41 65.25 1joq h THR 120 Cb 1.20 1.27 -0.15 0.00 -1.07 0.00 0.00 68.15 69.40 1joq h THR 120 CO -0.17 0.17 0.31 1.41 -0.01 0.00 0.00 175.52 177.23 1joq n HIS 121 N -4.85 1.62 -0.02 0.00 8.25 -1.26 -4.27 115.22 114.68 1joq n HIS 121 Ca -0.05 -1.12 -0.12 0.00 -0.26 0.00 0.00 57.72 56.17 1joq n HIS 121 Cb 0.14 -0.59 0.01 0.00 1.12 0.00 0.00 29.99 30.67 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 0.80 0.66 0.32 -0.41 4.81 -1.82 -2.42 114.58 116.52 1joq h GLU 122 Ca 0.30 -0.45 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 1joq h GLU 122 Cb 1.93 0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.38 1joq h GLU 122 CO 0.56 1.06 -0.15 1.96 -0.73 0.00 0.00 179.01 181.71 1joq h GLN 123 N 0.49 -0.41 0.06 1.92 1.08 -1.80 -1.70 115.11 114.74 1joq h GLN 123 Ca -0.00 0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.24 1joq h GLN 123 Cb 1.18 0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 28.66 1joq h GLN 123 CO 0.12 -0.09 -0.52 1.25 -0.95 0.00 0.00 178.83 178.64 1joq h LEU 124 N -0.82 -1.58 -1.68 1.46 7.12 -1.86 0.25 115.31 118.21 1joq h LEU 124 Ca -0.04 0.17 0.28 0.00 0.13 0.00 0.00 57.88 58.42 1joq h LEU 124 Cb 0.52 0.59 -0.07 0.00 -0.53 0.00 0.00 40.66 41.17 1joq h LEU 124 CO 0.07 -0.53 0.70 -0.07 -0.13 0.00 0.00 178.44 178.49 1joq h LEU 125 N -0.69 0.23 -0.09 2.25 3.38 -1.49 0.12 115.31 119.02 1joq h LEU 125 Ca 0.00 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1joq h LEU 125 Cb 0.72 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1joq h LEU 125 CO -0.31 0.05 0.05 -0.09 0.09 0.00 0.00 178.44 178.23 1joq h ARG 126 N 0.21 0.12 0.05 1.13 1.12 0.45 -2.06 114.38 115.41 1joq h ARG 126 Ca 0.54 -0.01 0.02 0.00 -1.11 0.00 0.00 59.98 59.41 1joq h ARG 126 Cb 1.71 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 31.62 1joq h ARG 126 CO -0.15 0.15 -0.16 -0.22 -3.11 0.00 0.00 179.97 176.49 1joq h LYS 127 N 0.06 -0.27 -0.90 0.20 1.63 0.07 -0.71 116.57 116.65 1joq h LYS 127 Ca 0.03 0.02 0.21 0.00 -0.85 0.00 0.00 60.65 60.06 1joq h LYS 127 Cb 0.07 0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 31.70 1joq h LYS 127 CO -0.01 -0.18 0.60 0.77 -3.45 0.00 0.00 179.45 177.19 1joq h SER 128 N -0.28 0.33 -0.29 4.20 0.02 -1.31 0.80 113.55 117.01 1joq h SER 128 Ca 0.04 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1joq h SER 128 Cb 0.32 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1joq h SER 128 CO -0.12 0.13 0.07 -0.08 -1.14 0.00 0.00 176.83 175.69 1joq h GLU 129 N 0.33 0.46 -0.94 3.45 4.81 -0.41 -2.28 114.58 120.01 1joq h GLU 129 Ca 0.46 -0.11 0.12 0.00 -0.13 0.00 0.00 59.36 59.70 1joq h GLU 129 Cb 1.27 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 30.51 1joq h GLU 129 CO -0.15 0.54 0.56 0.00 -0.73 0.00 0.00 179.01 179.24 1joq h ALA 130 N 0.90 1.40 -0.44 2.92 0.00 -0.33 0.96 119.26 124.67 1joq h ALA 130 Ca 0.09 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1joq h ALA 130 Cb 0.29 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1joq h ALA 130 CO 0.00 0.14 0.02 0.37 0.00 0.00 0.00 179.25 179.78 1joq h GLN 131 N 0.88 0.70 -0.03 0.00 4.15 -1.12 -1.74 115.11 117.95 1joq h GLN 131 Ca 0.47 -0.17 -0.04 0.00 0.77 0.00 0.00 58.65 59.68 1joq h GLN 131 Cb 0.50 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 1joq h GLN 131 CO -0.28 0.71 -0.19 0.00 -1.93 0.00 0.00 178.83 177.13 1joq h ALA 132 N 1.36 1.63 -0.01 3.38 0.00 -0.27 -1.04 119.26 124.31 1joq h ALA 132 Ca 0.14 -0.19 -0.25 0.00 0.00 0.00 0.00 54.91 54.61 1joq h ALA 132 Cb 0.38 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1joq h ALA 132 CO 0.01 0.28 -0.98 0.87 0.00 0.00 0.00 179.25 179.43 1joq h LYS 133 N 0.04 0.56 0.00 0.00 1.57 -0.64 -1.18 116.57 116.92 1joq h LYS 133 Ca 0.01 -0.60 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 1joq h LYS 133 Cb 0.37 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1joq h LYS 133 CO 0.03 1.22 0.00 1.63 -0.57 0.00 0.00 179.45 181.75 1joq n LYS 134 N -3.80 0.17 -0.02 3.15 5.02 -0.84 -2.98 118.16 118.84 1joq n LYS 134 Ca -0.09 0.26 0.07 0.00 -2.02 0.00 0.00 58.31 56.53 1joq n LYS 134 Cb 0.85 -1.74 -0.16 0.00 -0.02 0.00 0.00 35.03 33.96 1joq n LYS 134 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1joq n GLU 135 N -2.04 0.67 -3.67 1.97 1.02 -0.44 -5.01 120.64 113.13 1joq n GLU 135 Ca 0.04 -0.16 -0.27 0.00 -0.02 0.00 0.00 57.16 56.75 1joq n GLU 135 Cb 0.32 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.26 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 -2.32 -1.18 -3.61 3.49 4.01 -0.46 -4.83 118.16 113.26 1joq n LYS 136 Ca -0.09 0.62 -0.37 0.00 -0.51 0.00 0.00 58.31 57.96 1joq n LYS 136 Cb 0.65 -3.75 -0.10 0.00 -0.51 0.00 0.00 35.03 31.33 1joq n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1joq s LEU 137 N -5.91 4.08 0.00 -0.35 1.43 -1.25 -2.84 118.68 113.83 1joq s LEU 137 Ca 0.31 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 1joq s LEU 137 Cb -0.12 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 43.96 1joq s LEU 137 CO 0.87 0.00 0.00 0.59 0.23 0.00 0.00 176.35 178.04 1joq n ASN 138 N 4.63 0.00 0.20 2.29 3.02 -1.26 -2.18 115.26 121.96 1joq n ASN 138 Ca -0.14 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.28 1joq n ASN 138 Cb 0.52 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.62 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 -1.79 -0.98 117.51 119.19 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 -4.60 0.00 0.48 1.37 7.02 -0.93 -3.58 117.44 117.21 1joq n TRP 140 Ca -0.08 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.21 1joq n TRP 140 Cb 0.33 -0.08 -0.09 0.00 -2.42 0.00 0.00 31.31 29.04 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 -1.04 0.00 -0.99 0.87 -1.01 -3.37 113.55 108.01 1joq h SER 141 Ca 0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1joq h SER 141 Cb 0.05 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1joq h SER 141 CO 0.00 -0.70 0.00 -0.62 -0.53 0.00 0.00 176.83 174.98 1joq n GLU 142 N -5.59 0.00 -2.74 2.24 -0.58 -1.23 -4.89 120.64 107.84 1joq n GLU 142 Ca -0.15 0.41 -0.03 0.00 -0.42 0.00 0.00 57.16 56.96 1joq n GLU 142 Cb 0.48 -0.98 -0.03 0.00 -0.57 0.00 0.00 31.44 30.35 1joq n GLU 142 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1joq n ASP 143 N -1.72 -3.37 -0.63 1.62 2.03 -1.25 -4.90 116.55 108.33 1joq n ASP 143 Ca 0.00 1.23 0.06 0.00 0.52 0.00 0.00 54.79 56.60 1joq n ASP 143 Cb 0.00 -3.83 0.16 0.00 -0.72 0.00 0.00 41.12 36.73 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 2.04 3.04 -4.43 1.67 0.23 -1.26 -4.96 115.26 111.59 1joq n ASN 144 Ca -0.24 -2.22 -0.33 0.00 -0.53 0.00 0.00 54.58 51.25 1joq n ASN 144 Cb 0.38 -0.28 -0.13 0.00 -2.08 0.00 0.00 39.78 37.66 1joq n ASN 144 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1joq s ALA 145 N -1.40 2.71 -0.40 -2.53 0.00 -1.26 -5.05 121.76 113.83 1joq s ALA 145 Ca 0.25 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.38 1joq s ALA 145 Cb 0.16 -1.21 0.21 0.00 0.00 0.00 0.00 23.12 22.28 1joq s ALA 145 CO 0.13 0.34 0.43 -0.40 0.00 0.00 0.00 175.76 176.27 1joq n ASP 146 N 3.14 -0.17 -4.46 0.00 5.68 -1.26 -5.12 116.55 114.36 1joq n ASP 146 Ca -0.18 -2.54 -0.35 0.00 -0.50 0.00 0.00 54.79 51.22 1joq n ASP 146 Cb 0.53 -0.58 0.08 0.00 -1.14 0.00 0.00 41.12 40.01 1joq n ASP 146 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1joq n SER 147 N 2.11 -1.34 0.00 -1.12 3.41 -1.26 -4.91 113.62 110.50 1joq n SER 147 Ca 0.25 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.39 1joq n SER 147 Cb 0.51 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 1joq n SER 147 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1joq n GLY 148 N 1.59 -1.39 0.00 5.00 0.00 -1.26 -5.32 105.19 103.81 1joq n GLY 148 Ca 0.09 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1joq n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93