#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 2.64 -3.46 0.00 5.66 -1.26 -4.99 114.28 112.88 1joq n THR 2 Ca 0.00 -2.71 -0.13 0.00 -3.05 0.00 0.00 64.05 58.16 1joq n THR 2 Cb 0.00 -0.36 -0.03 0.00 -1.55 0.00 0.00 70.33 68.39 1joq n THR 2 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1joq s SER 3 N -2.43 -0.55 0.07 1.09 0.15 -1.26 -5.06 113.70 105.70 1joq s SER 3 Ca 0.46 0.16 -0.32 0.00 0.70 0.00 0.00 55.95 56.95 1joq s SER 3 Cb 0.42 0.55 -0.19 0.00 -1.71 0.00 0.00 66.02 65.09 1joq s SER 3 CO 0.01 -0.83 1.59 0.71 1.20 0.00 0.00 173.24 175.93 1joq h THR 4 N 2.22 0.36 -0.04 6.45 1.35 -2.08 -3.45 112.91 117.72 1joq h THR 4 Ca -0.30 -0.04 0.25 0.00 -0.55 0.00 0.00 66.41 65.77 1joq h THR 4 Cb 1.26 0.37 -0.18 0.00 -1.73 0.00 0.00 68.15 67.87 1joq h THR 4 CO 0.37 0.01 0.06 -0.75 -0.25 0.00 0.00 175.52 174.96 1joq s LYS 5 N -5.95 0.03 0.33 4.72 2.20 -1.26 -4.97 119.74 114.84 1joq s LYS 5 Ca -0.17 0.02 0.09 0.00 -0.36 0.00 0.00 55.97 55.54 1joq s LYS 5 Cb 0.03 0.01 -0.05 0.00 -1.51 0.00 0.00 37.83 36.32 1joq s LYS 5 CO 0.61 -0.05 0.09 0.21 -0.36 0.00 0.00 175.35 175.85 1joq s LYS 6 N 2.80 2.28 0.55 4.03 2.20 -1.26 -5.14 119.74 125.20 1joq s LYS 6 Ca 0.29 -1.59 -0.03 0.00 -0.36 0.00 0.00 55.97 54.28 1joq s LYS 6 Cb 0.01 -2.10 0.12 0.00 -1.51 0.00 0.00 37.83 34.35 1joq s LYS 6 CO -0.21 0.14 0.76 1.28 -0.36 0.00 0.00 175.35 176.96 1joq n LEU 7 N -1.07 0.00 -4.19 5.43 4.77 -1.26 -5.07 117.00 115.61 1joq n LEU 7 Ca -0.04 -1.32 -0.34 0.00 -0.03 0.00 0.00 56.01 54.28 1joq n LEU 7 Cb 0.61 -0.52 -0.14 0.00 -2.33 0.00 0.00 43.42 41.04 1joq n LEU 7 CO 0.43 -0.93 -0.42 -2.28 -1.33 0.00 0.00 177.39 172.86 1joq s HIS 8 N -2.33 3.05 -0.03 -1.77 5.65 -1.26 -5.10 115.29 113.49 1joq s HIS 8 Ca 0.47 -1.58 -0.16 0.00 0.25 0.00 0.00 55.06 54.04 1joq s HIS 8 Cb -0.02 -2.04 -0.05 0.00 -1.18 0.00 0.00 32.58 29.28 1joq s HIS 8 CO 0.32 -0.74 0.43 0.15 -0.65 0.00 0.00 174.74 174.25 1joq s LYS 9 N 1.32 4.06 0.32 2.88 1.02 -1.26 -4.30 119.74 123.77 1joq s LYS 9 Ca 0.00 0.43 0.03 0.00 0.02 0.00 0.00 55.97 56.46 1joq s LYS 9 Cb -0.16 -3.29 -0.06 0.00 -0.52 0.00 0.00 37.83 33.80 1joq s LYS 9 CO -0.05 0.53 0.07 -1.21 -0.92 0.00 0.00 175.35 173.77 1joq s GLU 10 N -0.58 1.63 0.68 1.68 2.02 -0.72 -4.96 118.70 118.45 1joq s GLU 10 Ca 0.24 -1.90 -0.09 0.00 0.02 0.00 0.00 54.97 53.24 1joq s GLU 10 Cb -0.16 -0.78 0.03 0.00 0.10 0.00 0.00 34.13 33.31 1joq s GLU 10 CO 0.13 -0.21 1.03 -1.25 0.02 0.00 0.00 175.26 174.98 1joq s PRO 11 N -3.91 2.68 0.28 0.39 0.04 -1.26 -0.22 135.00 133.00 1joq s PRO 11 Ca 0.36 0.18 -0.11 0.00 0.04 0.00 0.00 61.00 61.47 1joq s PRO 11 Cb 0.09 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1joq s PRO 11 CO 0.15 -1.02 0.51 0.00 0.04 0.00 0.00 177.00 176.68 1joq s ALA 12 N -3.25 -0.13 -0.14 8.56 0.00 -0.45 -4.55 121.76 121.80 1joq s ALA 12 Ca 0.57 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 51.55 1joq s ALA 12 Cb -0.11 1.05 0.04 0.00 0.00 0.00 0.00 23.12 24.10 1joq s ALA 12 CO 0.48 -0.86 -0.02 0.99 0.00 0.00 0.00 175.76 176.35 1joq s THR 13 N -3.69 0.78 0.56 0.00 2.01 -0.70 -4.69 115.64 109.91 1joq s THR 13 Ca 0.23 -0.36 -0.21 0.00 0.31 0.00 0.00 61.69 61.66 1joq s THR 13 Cb -0.01 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 1joq s THR 13 CO 0.11 0.13 1.30 -0.22 -0.69 0.00 0.00 174.62 175.25 1joq s LEU 14 N 1.78 3.79 0.21 4.42 2.96 -1.26 0.10 118.68 130.68 1joq s LEU 14 Ca 0.02 2.63 0.00 0.00 -0.22 0.00 0.00 54.13 56.56 1joq s LEU 14 Cb -0.14 -4.38 0.00 0.00 0.50 0.00 0.00 46.19 42.16 1joq s LEU 14 CO -0.07 -1.58 0.00 -0.38 -1.32 0.00 0.00 176.35 172.99 1joq n ILE 15 N -1.22 0.34 -3.28 6.68 5.41 -0.39 -4.80 119.36 122.11 1joq n ILE 15 Ca 0.12 0.11 -0.05 0.00 1.00 0.00 0.00 62.75 63.92 1joq n ILE 15 Cb 0.47 -0.78 -0.05 0.00 -0.71 0.00 0.00 39.64 38.57 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 -1.87 0.43 1.03 0.38 2.20 -0.91 -5.02 119.74 115.98 1joq s LYS 16 Ca 0.00 0.52 -0.11 0.00 -0.36 0.00 0.00 55.97 56.02 1joq s LYS 16 Cb 0.00 -0.17 0.21 0.00 -1.51 0.00 0.00 37.83 36.37 1joq s LYS 16 CO 0.00 -0.78 1.09 0.00 -0.36 0.00 0.00 175.35 175.30 1joq s ALA 17 N 2.63 0.55 0.00 3.13 0.00 -1.26 -2.13 121.76 124.68 1joq s ALA 17 Ca 0.13 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.37 1joq s ALA 17 Cb -0.14 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1joq s ALA 17 CO -0.22 -3.29 0.00 -0.89 0.00 0.00 0.00 175.76 171.37 1joq n ILE 18 N -4.57 0.00 -1.26 0.00 5.41 0.37 -4.76 119.36 114.55 1joq n ILE 18 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.83 1joq n ILE 18 Cb 0.53 -0.49 0.00 0.00 -0.71 0.00 0.00 39.64 38.97 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 -1.52 0.00 0.11 4.38 -0.08 -0.70 -4.96 116.55 113.79 1joq n ASP 19 Ca 0.00 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.40 1joq n ASP 19 Cb 0.00 0.00 0.06 0.00 2.34 0.00 0.00 41.12 43.52 1joq n ASP 19 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1joq h GLY 20 N 0.00 0.00 -2.42 0.27 0.00 -1.86 -3.37 103.07 95.69 1joq h GLY 20 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1joq h GLY 20 CO 0.00 0.00 -0.88 2.09 0.00 0.00 0.00 176.54 177.75 1joq n ASP 21 N -2.62 1.20 -3.60 0.19 5.68 -1.26 -4.77 116.55 111.37 1joq n ASP 21 Ca 0.01 -2.55 -0.13 0.00 -0.50 0.00 0.00 54.79 51.62 1joq n ASP 21 Cb 0.52 -0.37 -0.12 0.00 -1.14 0.00 0.00 41.12 40.02 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 -0.94 -0.45 -0.02 2.12 2.01 -1.26 -2.20 115.64 114.90 1joq s THR 22 Ca 0.35 0.17 -0.03 0.00 0.31 0.00 0.00 61.69 62.49 1joq s THR 22 Cb 0.38 -0.55 0.00 0.00 0.01 0.00 0.00 72.50 72.35 1joq s THR 22 CO -0.14 0.04 0.08 0.68 -0.69 0.00 0.00 174.62 174.59 1joq s VAL 23 N 2.44 0.02 -0.31 3.82 -7.23 -0.94 -0.48 120.40 117.73 1joq s VAL 23 Ca 0.03 -0.19 -0.17 0.00 -1.81 0.00 0.00 61.98 59.84 1joq s VAL 23 Cb -0.13 -0.18 -0.02 0.00 0.56 0.00 0.00 36.38 36.61 1joq s VAL 23 CO -0.10 -0.10 0.48 -0.54 -0.31 0.00 0.00 175.10 174.52 1joq s LYS 24 N -0.30 3.83 0.00 4.82 1.02 -0.90 -1.39 119.74 126.82 1joq s LYS 24 Ca -0.04 0.02 0.00 0.00 0.02 0.00 0.00 55.97 55.97 1joq s LYS 24 Cb -0.03 -3.73 0.00 0.00 -0.52 0.00 0.00 37.83 33.55 1joq s LYS 24 CO 0.00 -0.48 0.00 1.28 -0.92 0.00 0.00 175.35 175.23 1joq n LEU 25 N 5.59 0.00 -3.87 3.17 4.77 -1.00 -1.26 117.00 124.39 1joq n LEU 25 Ca -0.05 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.66 1joq n LEU 25 Cb 0.49 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.42 1joq n LEU 25 CO 0.42 0.00 -0.42 -0.32 -1.33 0.00 0.00 177.39 175.74 1joq s MET 26 N 0.95 1.34 -0.12 3.23 -2.45 0.28 -2.54 119.30 119.99 1joq s MET 26 Ca 0.00 -0.35 0.03 0.00 -1.25 0.00 0.00 55.69 54.12 1joq s MET 26 Cb 0.00 -1.75 0.00 0.00 1.25 0.00 0.00 34.83 34.34 1joq s MET 26 CO 0.00 -0.37 -0.21 -0.47 1.05 0.00 0.00 175.02 175.02 1joq s TYR 27 N 1.71 2.65 -0.12 4.11 6.14 -0.37 -1.72 117.35 129.74 1joq s TYR 27 Ca 0.03 -1.11 0.00 0.00 0.64 0.00 0.00 57.07 56.62 1joq s TYR 27 Cb -0.14 -1.78 0.00 0.00 0.42 0.00 0.00 41.96 40.46 1joq s TYR 27 CO -0.08 -0.47 0.00 1.63 0.64 0.00 0.00 175.55 177.27 1joq n LYS 28 N 3.77 -1.35 -0.24 4.97 4.76 -1.26 -1.68 118.16 127.14 1joq n LYS 28 Ca -0.19 0.40 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 1joq n LYS 28 Cb 0.52 -4.44 0.00 0.00 -1.84 0.00 0.00 35.03 29.27 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 -0.31 0.75 3.43 0.72 0.00 -1.26 -5.06 105.19 103.45 1joq n GLY 29 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1joq n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1joq s GLN 30 N -0.76 1.74 -0.16 1.61 -2.07 -0.67 -5.09 119.66 114.26 1joq s GLN 30 Ca 0.00 -1.17 -0.29 0.00 -1.82 0.00 0.00 55.36 52.08 1joq s GLN 30 Cb 0.00 -2.05 -0.01 0.00 -1.09 0.00 0.00 33.01 29.86 1joq s GLN 30 CO 0.00 0.49 1.19 -1.25 -1.32 0.00 0.00 175.29 174.40 1joq s PRO 31 N -1.82 4.27 -0.10 9.60 0.04 -1.26 -1.24 135.00 144.48 1joq s PRO 31 Ca 0.15 1.58 -0.08 0.00 0.04 0.00 0.00 61.00 62.70 1joq s PRO 31 Cb -0.10 -3.70 0.03 0.00 0.04 0.00 0.00 34.50 30.78 1joq s PRO 31 CO 0.07 -0.63 0.26 -1.64 0.04 0.00 0.00 177.00 175.09 1joq s MET 32 N 3.17 0.27 0.67 4.56 -1.94 -1.05 -4.97 119.30 120.00 1joq s MET 32 Ca 0.52 0.44 -0.11 0.00 -1.71 0.00 0.00 55.69 54.83 1joq s MET 32 Cb -0.20 0.04 -0.01 0.00 2.01 0.00 0.00 34.83 36.67 1joq s MET 32 CO 0.14 -0.09 1.05 0.99 -0.01 0.00 0.00 175.02 177.10 1joq s THR 33 N 0.59 4.24 0.00 2.05 2.01 -1.26 -2.39 115.64 120.88 1joq s THR 33 Ca -0.04 0.73 -0.00 0.00 0.31 0.00 0.00 61.69 62.69 1joq s THR 33 Cb -0.05 -3.61 -0.00 0.00 0.01 0.00 0.00 72.50 68.84 1joq s THR 33 CO -0.03 -0.95 0.00 -0.36 -0.69 0.00 0.00 174.62 172.59 1joq s PHE 34 N -3.15 0.06 -0.07 4.92 0.08 -0.48 -1.50 117.98 117.84 1joq s PHE 34 Ca 0.57 -0.13 0.05 0.00 0.12 0.00 0.00 56.93 57.54 1joq s PHE 34 Cb -0.12 -0.05 -0.01 0.00 -0.57 0.00 0.00 43.02 42.27 1joq s PHE 34 CO 0.54 -0.06 -0.23 0.50 -0.10 0.00 0.00 175.22 175.87 1joq s ARG 35 N -0.42 2.50 0.22 0.44 6.06 -0.67 -2.22 118.95 124.87 1joq s ARG 35 Ca -0.05 -0.82 -0.32 0.00 -2.50 0.00 0.00 55.73 52.05 1joq s ARG 35 Cb -0.03 -2.05 -0.14 0.00 0.06 0.00 0.00 34.95 32.80 1joq s ARG 35 CO -0.00 0.28 1.42 1.28 -2.50 0.00 0.00 175.30 175.78 1joq n LEU 36 N 3.18 2.97 -4.86 -0.88 4.77 -0.93 -4.08 117.00 117.17 1joq n LEU 36 Ca -0.18 1.13 -0.34 0.00 -0.03 0.00 0.00 56.01 56.59 1joq n LEU 36 Cb 0.52 -1.41 -0.06 0.00 -2.33 0.00 0.00 43.42 40.15 1joq n LEU 36 CO 0.26 -0.52 0.22 -0.76 -1.33 0.00 0.00 177.39 175.26 1joq s LEU 37 N 0.27 4.27 -1.50 2.23 1.43 -1.25 -4.14 118.68 119.97 1joq s LEU 37 Ca 0.71 0.99 0.00 0.00 -1.03 0.00 0.00 54.13 54.80 1joq s LEU 37 Cb -0.67 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.12 1joq s LEU 37 CO 0.48 0.03 0.00 0.18 0.23 0.00 0.00 176.35 177.27 1joq n LEU 38 N 0.41 -1.74 -4.11 1.79 4.77 -1.25 -4.96 117.00 111.90 1joq n LEU 38 Ca -0.03 0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.84 1joq n LEU 38 Cb 0.52 -2.51 -0.06 0.00 -2.33 0.00 0.00 43.42 39.04 1joq n LEU 38 CO 0.44 -0.24 0.05 0.68 -1.33 0.00 0.00 177.39 176.98 1joq s VAL 39 N -2.84 0.00 -0.24 4.08 -7.23 -1.22 -2.30 120.40 110.65 1joq s VAL 39 Ca 0.00 -1.67 -0.15 0.00 -1.81 0.00 0.00 61.98 58.35 1joq s VAL 39 Cb 0.00 -2.49 0.07 0.00 0.56 0.00 0.00 36.38 34.53 1joq s VAL 39 CO 0.00 0.00 0.60 -0.62 -0.31 0.00 0.00 175.10 174.77 1joq s ASP 40 N -3.18 -0.78 0.28 4.85 2.15 0.12 -4.31 116.67 115.81 1joq s ASP 40 Ca 0.31 1.30 0.07 0.00 0.43 0.00 0.00 52.55 54.66 1joq s ASP 40 Cb 0.01 1.21 -0.03 0.00 -0.30 0.00 0.00 42.92 43.81 1joq s ASP 40 CO 0.16 -0.22 0.29 0.42 -0.17 0.00 0.00 175.17 175.64 1joq s THR 41 N 1.30 4.30 -0.07 1.71 -4.23 -1.26 -2.55 115.64 114.85 1joq s THR 41 Ca -0.08 -1.27 -0.30 0.00 -1.18 0.00 0.00 61.69 58.86 1joq s THR 41 Cb -0.06 -3.43 -0.03 0.00 1.34 0.00 0.00 72.50 70.32 1joq s THR 41 CO -0.14 -0.28 1.26 -2.16 -0.54 0.00 0.00 174.62 172.77 1joq s PRO 42 N -3.95 4.31 0.57 3.99 0.04 -1.26 -4.99 135.00 133.71 1joq s PRO 42 Ca 0.37 1.74 -0.20 0.00 0.04 0.00 0.00 61.00 62.94 1joq s PRO 42 Cb -0.08 -3.61 -0.04 0.00 0.04 0.00 0.00 34.50 30.81 1joq s PRO 42 CO 0.27 -0.53 1.23 0.39 0.04 0.00 0.00 177.00 178.39 1joq n GLU 43 N 5.56 1.36 -0.30 4.56 4.71 -1.26 -4.90 120.64 130.37 1joq n GLU 43 Ca 0.12 0.51 0.00 0.00 -0.01 0.00 0.00 57.16 57.78 1joq n GLU 43 Cb 0.45 -2.43 0.00 0.00 -1.01 0.00 0.00 31.44 28.45 1joq n GLU 43 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1joq n THR 44 N -1.34 0.00 0.18 2.62 -2.24 -1.26 -4.25 114.28 107.98 1joq n THR 44 Ca 0.12 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.96 1joq n THR 44 Cb 0.46 0.58 -0.08 0.00 -2.10 0.00 0.00 70.33 69.19 1joq n THR 44 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1joq n LYS 45 N 0.00 1.51 -1.44 -0.78 2.85 -1.26 -4.93 118.16 114.11 1joq n LYS 45 Ca 0.00 -0.06 -0.46 0.00 -1.05 0.00 0.00 58.31 56.73 1joq n LYS 45 Cb 0.60 -1.16 -0.12 0.00 -0.65 0.00 0.00 35.03 33.70 1joq n LYS 45 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 1joq n HIS 46 N -1.65 0.95 -1.74 5.58 -0.00 -1.26 -4.74 115.22 112.36 1joq n HIS 46 Ca -0.01 0.43 -0.38 0.00 0.46 0.00 0.00 57.72 58.23 1joq n HIS 46 Cb 0.24 -2.41 -0.04 0.00 -0.12 0.00 0.00 29.99 27.66 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 8.28 1.93 0.00 1.57 -0.04 -1.26 -3.11 135.00 142.36 1joq n PRO 47 Ca 0.57 -2.36 0.00 0.00 -0.04 0.00 0.00 63.50 61.67 1joq n PRO 47 Cb 0.10 -3.33 0.00 0.00 -0.04 0.00 0.00 33.50 30.23 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 7.55 0.00 0.00 0.54 4.81 -1.26 -5.00 118.16 124.80 1joq n LYS 48 Ca 0.48 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 1joq n LYS 48 Cb 0.43 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.48 1joq n LYS 48 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1joq n LYS 49 N 0.00 0.05 0.00 1.64 4.81 -1.24 -5.11 118.16 118.31 1joq n LYS 49 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1joq n LYS 49 Cb 0.00 -0.79 0.00 0.00 0.02 0.00 0.00 35.03 34.26 1joq n LYS 49 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1joq n GLY 50 N 2.64 1.39 3.29 3.14 0.00 -1.18 -4.46 105.19 110.00 1joq n GLY 50 Ca 0.00 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 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 3.07 -2.05 1.61 1.01 -1.26 -4.96 120.40 117.82 1joq s VAL 51 Ca 0.00 -0.61 0.26 0.00 0.00 0.00 0.00 61.98 61.63 1joq s VAL 51 Cb 0.00 -2.36 0.26 0.00 0.00 0.00 0.00 36.38 34.28 1joq s VAL 51 CO 0.00 0.47 1.49 -0.62 0.00 0.00 0.00 175.10 176.43 1joq n GLU 52 N 4.49 1.18 0.00 2.72 -0.58 -1.26 -3.53 120.64 123.66 1joq n GLU 52 Ca -0.19 -0.79 0.00 0.00 -0.42 0.00 0.00 57.16 55.76 1joq n GLU 52 Cb 0.51 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.90 1joq n GLU 52 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1joq n LYS 53 N -0.22 0.00 -2.93 3.49 4.01 -1.26 -4.84 118.16 116.42 1joq n LYS 53 Ca 0.13 0.04 -0.23 0.00 -0.51 0.00 0.00 58.31 57.74 1joq n LYS 53 Cb 0.39 -0.42 -0.03 0.00 -0.51 0.00 0.00 35.03 34.46 1joq n LYS 53 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1joq n TYR 54 N -2.18 2.69 0.00 2.13 4.01 -1.26 -4.96 117.16 117.58 1joq n TYR 54 Ca 0.00 -3.75 0.00 0.00 -0.16 0.00 0.00 57.90 53.99 1joq n TYR 54 Cb 0.00 -0.41 0.00 0.00 -0.31 0.00 0.00 39.34 38.62 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 -0.12 -2.68 3.54 2.72 0.00 -1.23 -4.46 105.19 102.96 1joq n GLY 55 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 1joq n GLY 55 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1joq s PRO 56 N -0.68 3.28 0.14 1.61 0.04 -1.26 -4.61 135.00 133.51 1joq s PRO 56 Ca 0.00 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 60.81 1joq s PRO 56 Cb 0.00 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.41 1joq s PRO 56 CO 0.00 -1.88 0.00 -1.91 0.04 0.00 0.00 177.00 173.25 1joq n GLU 57 N 8.58 0.00 0.28 4.56 4.07 -1.26 -4.87 120.64 132.00 1joq n GLU 57 Ca 0.03 0.00 0.18 0.00 -0.06 0.00 0.00 57.16 57.31 1joq n GLU 57 Cb 0.48 0.00 0.82 0.00 -0.06 0.00 0.00 31.44 32.68 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 1.00 0.45 4.31 0.00 -1.83 -2.49 119.26 120.70 1joq h ALA 58 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1joq h ALA 58 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1joq h ALA 58 CO 0.00 0.00 -0.22 0.66 0.00 0.00 0.00 179.25 179.69 1joq h SER 59 N 0.00 -0.51 0.23 0.00 4.64 -1.88 -2.21 113.55 113.82 1joq h SER 59 Ca 0.00 -0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.17 1joq h SER 59 Cb 0.35 0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1joq h SER 59 CO 0.00 -0.13 -0.24 0.00 -0.87 0.00 0.00 176.83 175.58 1joq h ALA 60 N -0.64 1.56 0.67 5.18 0.00 -1.86 -1.19 119.26 122.98 1joq h ALA 60 Ca -0.06 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1joq h ALA 60 Cb 0.58 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1joq h ALA 60 CO 0.10 0.33 -0.32 0.35 0.00 0.00 0.00 179.25 179.71 1joq h PHE 61 N 0.03 -0.83 0.00 0.00 3.57 -1.36 -2.11 116.94 116.25 1joq h PHE 61 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1joq h PHE 61 Cb 0.45 0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.47 1joq h PHE 61 CO 0.00 -0.52 0.00 1.15 -2.23 0.00 0.00 178.31 176.71 1joq h THR 62 N -0.90 0.00 0.00 4.41 2.02 -1.35 -2.17 112.91 114.93 1joq h THR 62 Ca -0.09 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1joq h THR 62 Cb 0.69 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1joq h THR 62 CO 0.15 0.00 0.00 1.17 0.37 0.00 0.00 175.52 177.21 1joq n LYS 63 N -2.61 0.00 0.27 6.66 0.00 -0.46 -1.93 118.16 120.09 1joq n LYS 63 Ca -0.01 0.49 0.18 0.00 0.00 0.00 0.00 58.31 58.98 1joq n LYS 63 Cb 0.13 -1.37 0.92 0.00 0.00 0.00 0.00 35.03 34.71 1joq n LYS 63 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1joq h LYS 64 N 0.00 0.00 0.00 1.64 1.79 -1.45 -1.31 116.57 117.25 1joq h LYS 64 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1joq h LYS 64 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1joq h LYS 64 CO 0.00 0.00 0.00 -0.12 -1.08 0.00 0.00 179.45 178.25 1joq n MET 65 N -2.86 0.00 0.28 3.15 0.00 -0.82 -1.27 117.12 115.61 1joq n MET 65 Ca -0.01 0.17 0.14 0.00 -0.00 0.00 0.00 57.70 57.99 1joq n MET 65 Cb 0.13 -0.96 0.85 0.00 0.00 0.00 0.00 33.22 33.25 1joq n MET 65 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 175.97 175.58 1joq h VAL 66 N 0.00 0.63 -0.25 1.12 -1.51 -1.43 0.23 116.25 115.04 1joq h VAL 66 Ca 0.00 0.00 -0.16 0.00 -1.23 0.00 0.00 66.70 65.31 1joq h VAL 66 Cb 0.00 0.99 -0.01 0.00 -2.13 0.00 0.00 31.29 30.15 1joq h VAL 66 CO 0.00 0.00 -0.49 -0.33 -1.23 0.00 0.00 177.57 175.52 1joq h GLU 67 N 0.00 0.70 -0.51 5.19 4.39 -1.31 -3.07 114.58 119.97 1joq h GLU 67 Ca 0.01 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1joq h GLU 67 Cb 0.03 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1joq h GLU 67 CO -0.00 1.03 0.00 0.09 -1.16 0.00 0.00 179.01 178.97 1joq n ASN 68 N -4.00 3.55 -4.77 1.42 3.02 -0.40 -4.97 115.26 109.12 1joq n ASN 68 Ca -0.03 -1.97 -0.41 0.00 -0.03 0.00 0.00 54.58 52.14 1joq n ASN 68 Cb 0.58 -0.34 -0.02 0.00 -0.61 0.00 0.00 39.78 39.40 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 -1.20 3.50 -0.03 5.41 0.00 0.71 -4.93 121.76 125.21 1joq s ALA 69 Ca 0.40 1.26 -0.23 0.00 0.00 0.00 0.00 51.96 53.39 1joq s ALA 69 Cb 0.22 -3.48 -0.24 0.00 0.00 0.00 0.00 23.12 19.62 1joq s ALA 69 CO 0.30 -0.64 1.04 0.87 0.00 0.00 0.00 175.76 177.33 1joq h LYS 70 N 3.38 0.25 -3.78 0.00 1.79 -1.90 -3.45 116.57 112.86 1joq h LYS 70 Ca -0.49 -0.27 -0.33 0.00 -2.18 0.00 0.00 60.65 57.38 1joq h LYS 70 Cb 1.23 0.08 -0.33 0.00 -1.58 0.00 0.00 32.23 31.62 1joq h LYS 70 CO 0.65 0.99 -0.75 0.15 -1.08 0.00 0.00 179.45 179.41 1joq s LYS 71 N -3.12 0.30 -0.17 3.15 -0.14 -1.26 -5.00 119.74 113.50 1joq s LYS 71 Ca -0.15 0.04 -0.01 0.00 -1.36 0.00 0.00 55.97 54.50 1joq s LYS 71 Cb 0.02 -0.44 -0.00 0.00 -1.68 0.00 0.00 37.83 35.72 1joq s LYS 71 CO 0.77 -0.10 -0.13 0.42 -0.76 0.00 0.00 175.35 175.55 1joq s ILE 72 N 0.82 2.81 -0.05 2.17 1.01 -1.26 -3.18 121.20 123.52 1joq s ILE 72 Ca -0.08 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 59.88 1joq s ILE 72 Cb -0.12 -2.20 0.01 0.00 0.01 0.00 0.00 42.46 40.16 1joq s ILE 72 CO -0.01 0.50 -0.13 -1.83 0.00 0.00 0.00 174.94 173.47 1joq s GLU 73 N 0.91 1.53 -0.10 2.79 -1.05 -1.04 -1.35 118.70 120.40 1joq s GLU 73 Ca -0.03 -0.43 -0.06 0.00 -0.15 0.00 0.00 54.97 54.30 1joq s GLU 73 Cb -0.15 -1.31 -0.04 0.00 -0.44 0.00 0.00 34.13 32.19 1joq s GLU 73 CO -0.01 0.10 0.15 0.14 0.95 0.00 0.00 175.26 176.59 1joq s VAL 74 N 0.40 5.48 -0.31 1.83 -7.23 0.70 -2.18 120.40 119.09 1joq s VAL 74 Ca -0.09 0.13 0.02 0.00 -1.81 0.00 0.00 61.98 60.23 1joq s VAL 74 Cb -0.13 -3.42 0.09 0.00 0.56 0.00 0.00 36.38 33.47 1joq s VAL 74 CO 0.02 0.56 0.02 -0.70 -0.31 0.00 0.00 175.10 174.70 1joq s GLU 75 N -1.22 1.42 0.40 4.82 2.12 -0.81 -1.75 118.70 123.68 1joq s GLU 75 Ca 0.18 -1.50 -0.25 0.00 0.36 0.00 0.00 54.97 53.76 1joq s GLU 75 Cb -0.12 -2.81 -0.08 0.00 0.26 0.00 0.00 34.13 31.38 1joq s GLU 75 CO 0.07 -0.85 1.18 -0.06 -0.54 0.00 0.00 175.26 175.06 1joq s PHE 76 N 1.16 3.03 0.03 5.30 0.40 -1.26 -1.72 117.98 124.92 1joq s PHE 76 Ca 0.06 1.54 -0.01 0.00 -0.60 0.00 0.00 56.93 57.92 1joq s PHE 76 Cb -0.19 -3.42 0.01 0.00 0.51 0.00 0.00 43.02 39.93 1joq s PHE 76 CO -0.11 -1.41 0.03 -3.47 0.70 0.00 0.00 175.22 170.97 1joq n ASP 77 N 0.05 -0.56 -0.42 1.36 -0.08 -1.26 -4.66 116.55 110.97 1joq n ASP 77 Ca 0.04 -0.74 0.12 0.00 -1.51 0.00 0.00 54.79 52.70 1joq n ASP 77 Cb 0.46 -0.03 0.10 0.00 2.34 0.00 0.00 41.12 44.00 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 -1.36 1.10 0.00 -0.67 2.85 -1.26 -4.83 118.16 113.99 1joq n LYS 78 Ca 0.00 -0.85 0.00 0.00 -1.05 0.00 0.00 58.31 56.41 1joq n LYS 78 Cb 0.02 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 32.91 1joq n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1joq n GLY 79 N 1.40 1.01 3.94 2.58 0.00 -1.26 -4.89 105.19 107.96 1joq n GLY 79 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 0.62 2.77 -0.01 1.61 -1.52 -1.26 -5.01 119.66 116.87 1joq s GLN 80 Ca 0.00 -0.31 0.12 0.00 -1.95 0.00 0.00 55.36 53.22 1joq s GLN 80 Cb 0.00 -2.37 -0.15 0.00 -0.22 0.00 0.00 33.01 30.26 1joq s GLN 80 CO 0.00 -0.67 0.42 0.54 -0.25 0.00 0.00 175.29 175.32 1joq n ARG 81 N -2.46 1.99 -4.07 2.91 1.74 -1.26 -4.60 116.66 110.91 1joq n ARG 81 Ca 0.05 -0.04 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 1joq n ARG 81 Cb 0.58 -1.16 -0.09 0.00 -1.02 0.00 0.00 32.46 30.78 1joq n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1joq s THR 82 N -2.42 0.10 0.00 0.55 -4.23 -1.26 -1.95 115.64 106.43 1joq s THR 82 Ca 0.01 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 1joq s THR 82 Cb 0.09 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 72.01 1joq s THR 82 CO 0.50 -0.46 0.00 0.47 -0.54 0.00 0.00 174.62 174.59 1joq n ASP 83 N -0.12 0.44 0.12 3.99 8.00 -0.73 -4.88 116.55 123.37 1joq n ASP 83 Ca -0.07 -0.30 0.12 0.00 0.71 0.00 0.00 54.79 55.25 1joq n ASP 83 Cb 0.63 0.00 0.47 0.00 -0.02 0.00 0.00 41.12 42.20 1joq n ASP 83 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1joq n LYS 84 N -0.23 0.20 -0.35 -1.24 2.85 -1.26 -2.25 118.16 115.88 1joq n LYS 84 Ca 0.00 0.36 0.11 0.00 -1.05 0.00 0.00 58.31 57.73 1joq n LYS 84 Cb 0.00 -1.84 0.29 0.00 -0.65 0.00 0.00 35.03 32.84 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 -2.20 0.91 -0.93 5.58 4.01 -1.26 -4.91 117.16 118.36 1joq n TYR 85 Ca 0.03 -0.51 0.00 0.00 -0.16 0.00 0.00 57.90 57.26 1joq n TYR 85 Cb 0.27 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 1joq n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1joq n GLY 86 N 1.41 0.56 3.77 2.72 0.00 -0.96 -4.98 105.19 107.71 1joq n GLY 86 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.41 3.75 0.02 1.61 0.52 -1.26 -4.67 118.95 118.51 1joq s ARG 87 Ca 0.00 1.86 -0.29 0.00 -0.52 0.00 0.00 55.73 56.78 1joq s ARG 87 Cb 0.00 -2.46 -0.04 0.00 0.52 0.00 0.00 34.95 32.97 1joq s ARG 87 CO 0.00 -0.58 0.95 0.20 0.02 0.00 0.00 175.30 175.89 1joq s GLY 88 N -1.24 2.90 -0.25 -3.53 0.00 -0.56 -1.77 107.32 102.87 1joq s GLY 88 Ca 0.63 0.51 -0.07 0.00 0.00 0.00 0.00 44.72 45.79 1joq s GLY 88 CO 0.38 1.59 0.06 1.08 0.00 0.00 0.00 173.10 176.21 1joq s LEU 89 N 0.76 3.46 0.03 0.66 1.43 -0.82 -1.66 118.68 122.53 1joq s LEU 89 Ca 0.49 -0.29 -0.29 0.00 -1.03 0.00 0.00 54.13 53.02 1joq s LEU 89 Cb -0.21 -1.91 0.10 0.00 0.03 0.00 0.00 46.19 44.20 1joq s LEU 89 CO 0.27 -0.06 1.07 0.00 0.23 0.00 0.00 176.35 177.87 1joq s ALA 90 N 1.59 -1.91 -0.21 4.21 0.00 -1.26 -4.18 121.76 120.01 1joq s ALA 90 Ca 0.06 0.65 -0.16 0.00 0.00 0.00 0.00 51.96 52.50 1joq s ALA 90 Cb -0.15 0.42 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 1joq s ALA 90 CO 0.03 -0.92 0.43 0.71 0.00 0.00 0.00 175.76 176.01 1joq s TYR 91 N -2.89 3.36 0.01 0.00 1.51 -0.70 -3.96 117.35 114.68 1joq s TYR 91 Ca 0.11 0.64 -0.20 0.00 -1.01 0.00 0.00 57.07 56.61 1joq s TYR 91 Cb 0.01 -2.57 -0.06 0.00 -0.11 0.00 0.00 41.96 39.23 1joq s TYR 91 CO -0.03 -0.05 0.60 0.42 -1.11 0.00 0.00 175.55 175.38 1joq s ILE 92 N 1.45 4.87 -0.03 2.71 1.01 -1.26 -1.93 121.20 128.02 1joq s ILE 92 Ca 0.20 1.25 0.05 0.00 0.00 0.00 0.00 60.65 62.15 1joq s ILE 92 Cb -0.15 -3.93 -0.01 0.00 0.01 0.00 0.00 42.46 38.38 1joq s ILE 92 CO 0.09 0.44 -0.16 -0.31 0.00 0.00 0.00 174.94 175.00 1joq s TYR 93 N -0.37 1.54 -0.04 3.97 2.02 -0.93 -1.08 117.35 122.45 1joq s TYR 93 Ca 0.31 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.67 1joq s TYR 93 Cb -0.19 -1.02 0.01 0.00 -0.40 0.00 0.00 41.96 40.37 1joq s TYR 93 CO 0.18 -0.09 -0.08 0.00 -1.57 0.00 0.00 175.55 173.99 1joq s ALA 94 N -0.17 0.92 -0.11 3.71 0.00 -0.32 -2.49 121.76 123.30 1joq s ALA 94 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.72 1joq s ALA 94 Cb -0.09 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.60 1joq s ALA 94 CO 0.01 0.08 0.00 -0.25 0.00 0.00 0.00 175.76 175.60 1joq n ASP 95 N 3.71 -5.16 0.00 0.00 9.92 -1.19 -1.38 116.55 122.45 1joq n ASP 95 Ca -0.22 0.03 0.00 0.00 -0.53 0.00 0.00 54.79 54.06 1joq n ASP 95 Cb 0.52 -2.75 0.00 0.00 -0.64 0.00 0.00 41.12 38.25 1joq n ASP 95 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1joq n GLY 96 N -0.16 0.78 3.44 0.44 0.00 -1.26 -5.07 105.19 103.36 1joq n GLY 96 Ca -0.01 -0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.72 1.58 -0.66 1.61 2.47 -0.48 -5.08 119.74 118.47 1joq s LYS 97 Ca 0.00 -1.68 -0.24 0.00 -1.56 0.00 0.00 55.97 52.49 1joq s LYS 97 Cb 0.00 -1.68 0.05 0.00 -1.46 0.00 0.00 37.83 34.74 1joq s LYS 97 CO 0.00 0.32 1.05 1.41 0.16 0.00 0.00 175.35 178.30 1joq s MET 98 N -3.31 3.19 0.32 4.03 -2.45 -1.26 -1.18 119.30 118.64 1joq s MET 98 Ca 0.26 -0.52 0.09 0.00 -1.25 0.00 0.00 55.69 54.28 1joq s MET 98 Cb -0.05 -4.17 0.89 0.00 1.25 0.00 0.00 34.83 32.75 1joq s MET 98 CO 0.12 -1.83 1.70 0.28 1.05 0.00 0.00 175.02 176.34 1joq h VAL 99 N 6.01 0.46 -0.40 10.11 2.07 -1.45 0.31 116.25 133.36 1joq h VAL 99 Ca -0.28 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.10 1joq h VAL 99 Cb 1.06 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1joq h VAL 99 CO 1.19 0.09 0.23 0.78 0.02 0.00 0.00 177.57 179.88 1joq h ASN 100 N 0.47 0.37 0.93 0.57 4.21 -1.90 -0.27 115.58 119.96 1joq h ASN 100 Ca 0.64 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.16 1joq h ASN 100 Cb 1.29 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 38.41 1joq h ASN 100 CO -0.53 0.27 0.00 -0.08 -1.29 0.00 0.00 177.43 175.80 1joq h GLU 101 N 0.47 0.00 -0.27 0.81 4.81 -0.85 -2.75 114.58 116.81 1joq h GLU 101 Ca 0.16 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.26 1joq h GLU 101 Cb 0.01 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 1joq h GLU 101 CO -0.08 0.00 -0.34 0.00 -0.73 0.00 0.00 179.01 177.86 1joq h ALA 102 N 2.03 0.40 0.16 2.92 0.00 0.76 -1.76 119.26 123.78 1joq h ALA 102 Ca 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1joq h ALA 102 Cb 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1joq h ALA 102 CO 0.00 0.46 -0.08 -0.07 0.00 0.00 0.00 179.25 179.56 1joq h LEU 103 N 0.44 -0.19 -1.27 0.00 3.38 -1.17 -2.66 115.31 113.84 1joq h LEU 103 Ca 0.03 -0.31 0.16 0.00 0.09 0.00 0.00 57.88 57.85 1joq h LEU 103 Cb 0.93 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.65 1joq h LEU 103 CO 0.08 0.24 0.59 0.58 0.09 0.00 0.00 178.44 180.02 1joq h VAL 104 N -0.66 0.79 -0.25 1.22 2.07 -1.55 -0.24 116.25 117.62 1joq h VAL 104 Ca -0.02 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1joq h VAL 104 Cb 0.48 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1joq h VAL 104 CO 0.04 0.12 0.11 -0.09 0.02 0.00 0.00 177.57 177.77 1joq h ARG 105 N 0.67 0.37 0.00 1.57 2.43 -1.21 -1.97 114.38 116.25 1joq h ARG 105 Ca 0.48 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 1joq h ARG 105 Cb 0.81 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1joq h ARG 105 CO -0.23 0.40 0.00 0.37 -1.51 0.00 0.00 179.97 179.00 1joq h GLN 106 N 0.27 0.00 0.00 0.20 5.75 -0.83 -3.43 115.11 117.06 1joq h GLN 106 Ca 0.09 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 1joq h GLN 106 Cb 0.16 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.71 1joq h GLN 106 CO -0.01 0.00 0.00 0.41 -2.65 0.00 0.00 178.83 176.58 1joq n GLY 107 N 0.17 0.68 1.22 2.39 0.00 -0.24 -4.40 105.19 105.02 1joq n GLY 107 Ca 0.02 -0.64 0.12 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 3.63 -3.53 0.99 4.77 -0.81 -2.40 117.00 119.66 1joq n LEU 108 Ca 0.00 -1.67 -0.12 0.00 -0.03 0.00 0.00 56.01 54.20 1joq n LEU 108 Cb 0.04 -0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 40.77 1joq n LEU 108 CO 0.00 0.83 0.29 0.00 -1.33 0.00 0.00 177.39 177.18 1joq s ALA 109 N -1.32 -1.31 0.09 -1.18 0.00 -1.24 -4.68 121.76 112.12 1joq s ALA 109 Ca 0.42 0.31 0.05 0.00 0.00 0.00 0.00 51.96 52.74 1joq s ALA 109 Cb 0.24 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 24.05 1joq s ALA 109 CO 0.32 -0.68 -0.12 -1.59 0.00 0.00 0.00 175.76 173.69 1joq s LYS 110 N -3.54 0.85 0.34 0.00 -2.85 -1.06 -4.26 119.74 109.22 1joq s LYS 110 Ca 0.01 -1.07 -0.27 0.00 -1.00 0.00 0.00 55.97 53.64 1joq s LYS 110 Cb 0.00 -0.69 -0.09 0.00 -2.06 0.00 0.00 37.83 34.99 1joq s LYS 110 CO -0.11 0.13 1.13 0.08 0.10 0.00 0.00 175.35 176.69 1joq s VAL 111 N -1.87 3.36 0.20 1.79 1.01 -1.26 0.16 120.40 123.78 1joq s VAL 111 Ca 0.02 1.23 -0.14 0.00 0.00 0.00 0.00 61.98 63.09 1joq s VAL 111 Cb -0.06 -3.73 0.05 0.00 0.00 0.00 0.00 36.38 32.64 1joq s VAL 111 CO 0.01 0.19 0.69 0.00 0.00 0.00 0.00 175.10 175.99 1joq n ALA 112 N 0.57 -1.71 -3.42 5.51 0.00 -0.97 -4.77 120.51 115.72 1joq n ALA 112 Ca 0.02 -0.82 -0.30 0.00 0.00 0.00 0.00 53.44 52.34 1joq n ALA 112 Cb 0.46 0.54 0.03 0.00 0.00 0.00 0.00 19.45 20.48 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 -2.74 -3.69 0.00 4.01 -1.26 -3.46 117.16 109.55 1joq n TYR 113 Ca -0.04 1.13 -0.39 0.00 -0.16 0.00 0.00 57.90 58.45 1joq n TYR 113 Cb 0.43 -2.46 -0.11 0.00 -0.31 0.00 0.00 39.34 36.89 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 -2.00 3.90 0.02 -0.72 1.01 -1.26 -4.15 120.40 117.20 1joq s VAL 114 Ca 0.28 -1.42 0.02 0.00 0.00 0.00 0.00 61.98 60.86 1joq s VAL 114 Cb -0.04 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 1joq s VAL 114 CO 0.86 -0.42 -0.06 -0.31 0.00 0.00 0.00 175.10 175.17 1joq s TYR 115 N 1.37 0.49 0.43 5.22 2.02 -1.26 -5.09 117.35 120.52 1joq s TYR 115 Ca 0.02 -0.31 -0.05 0.00 -0.37 0.00 0.00 57.07 56.37 1joq s TYR 115 Cb -0.22 -0.31 -0.04 0.00 -0.40 0.00 0.00 41.96 41.00 1joq s TYR 115 CO 0.01 -0.06 0.71 0.15 -1.57 0.00 0.00 175.55 174.79 1joq s LYS 116 N -0.90 3.56 -0.13 -0.62 1.02 -1.26 -1.28 119.74 120.13 1joq s LYS 116 Ca -0.05 0.10 0.03 0.00 0.02 0.00 0.00 55.97 56.06 1joq s LYS 116 Cb -0.06 -2.46 0.27 0.00 -0.52 0.00 0.00 37.83 35.06 1joq s LYS 116 CO -0.00 -0.07 1.19 -0.35 -0.92 0.00 0.00 175.35 175.19 1joq n PRO 117 N -1.93 1.87 -0.88 -1.68 -0.04 -1.26 -4.95 135.00 126.13 1joq n PRO 117 Ca -0.01 -1.14 -0.12 0.00 -0.04 0.00 0.00 63.50 62.19 1joq n PRO 117 Cb 0.55 -1.58 -0.02 0.00 -0.04 0.00 0.00 33.50 32.41 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 0.03 5.92 -0.26 3.54 3.02 -0.40 -4.01 115.26 123.10 1joq n ASN 118 Ca 0.17 -2.79 0.09 0.00 -0.03 0.00 0.00 54.58 52.03 1joq n ASN 118 Cb 0.80 -1.16 0.17 0.00 -0.61 0.00 0.00 39.78 38.97 1joq n ASN 118 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1joq n ASN 119 N 1.13 2.61 -0.28 6.41 3.02 -1.25 -4.63 115.26 122.27 1joq n ASN 119 Ca 0.25 -3.12 0.17 0.00 -0.03 0.00 0.00 54.58 51.85 1joq n ASN 119 Cb 0.60 -0.46 0.45 0.00 -0.61 0.00 0.00 39.78 39.76 1joq n ASN 119 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1joq h THR 120 N 0.39 0.70 -1.11 3.41 2.02 -1.94 -1.17 112.91 115.20 1joq h THR 120 Ca 0.00 -0.18 -0.58 0.00 0.77 0.00 0.00 66.41 66.42 1joq h THR 120 Cb 1.09 0.12 -0.41 0.00 -1.74 0.00 0.00 68.15 67.21 1joq h THR 120 CO 0.05 0.10 -0.61 1.41 0.37 0.00 0.00 175.52 176.84 1joq n HIS 121 N -4.58 3.04 0.12 3.16 8.25 -1.26 -4.74 115.22 119.21 1joq n HIS 121 Ca 0.20 -2.62 -0.24 0.00 -0.26 0.00 0.00 57.72 54.81 1joq n HIS 121 Cb 0.65 -0.34 -0.15 0.00 1.12 0.00 0.00 29.99 31.27 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 2.36 0.56 -0.12 -0.41 4.81 -1.53 -2.99 114.58 117.26 1joq h GLU 122 Ca 0.37 -0.86 -0.10 0.00 -0.13 0.00 0.00 59.36 58.63 1joq h GLU 122 Cb 1.20 0.31 0.00 0.00 0.63 0.00 0.00 28.75 30.89 1joq h GLU 122 CO 0.87 1.41 -0.32 0.37 -0.73 0.00 0.00 179.01 180.60 1joq h GLN 123 N 0.16 0.43 -0.09 1.92 4.15 -1.85 -1.30 115.11 118.53 1joq h GLN 123 Ca -0.22 -0.30 0.04 0.00 0.77 0.00 0.00 58.65 58.94 1joq h GLN 123 Cb 2.03 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 29.72 1joq h GLN 123 CO 0.25 0.92 -0.22 1.25 -1.93 0.00 0.00 178.83 179.10 1joq h LEU 124 N 0.01 -0.67 -1.75 -2.39 5.85 -1.90 0.87 115.31 115.34 1joq h LEU 124 Ca -0.01 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1joq h LEU 124 Cb 0.94 0.29 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 1joq h LEU 124 CO 0.07 -0.28 -0.13 -0.07 -0.34 0.00 0.00 178.44 177.70 1joq h LEU 125 N -0.30 0.00 0.15 2.25 3.38 -1.56 -2.81 115.31 116.42 1joq h LEU 125 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1joq h LEU 125 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1joq h LEU 125 CO -0.26 0.13 -0.07 0.03 0.09 0.00 0.00 178.44 178.35 1joq h ARG 126 N 0.00 -0.19 -0.76 1.13 3.08 0.35 -0.81 114.38 117.17 1joq h ARG 126 Ca -0.00 0.01 0.17 0.00 0.07 0.00 0.00 59.98 60.24 1joq h ARG 126 Cb 0.43 0.04 -0.13 0.00 0.08 0.00 0.00 29.97 30.39 1joq h ARG 126 CO 0.02 -0.13 -0.00 1.57 -1.07 0.00 0.00 179.97 180.36 1joq h LYS 127 N -0.31 0.09 -0.93 0.04 2.10 -1.25 0.53 116.57 116.83 1joq h LYS 127 Ca -0.02 -0.01 0.03 0.00 -2.00 0.00 0.00 60.65 58.65 1joq h LYS 127 Cb 0.15 -0.02 -0.05 0.00 -0.90 0.00 0.00 32.23 31.41 1joq h LYS 127 CO 0.03 0.06 0.62 0.66 -2.00 0.00 0.00 179.45 178.82 1joq h SER 128 N 0.10 1.03 -0.68 7.07 4.64 -1.54 -1.79 113.55 122.38 1joq h SER 128 Ca 0.42 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.71 1joq h SER 128 Cb 0.73 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.54 1joq h SER 128 CO -0.68 0.72 0.38 -0.08 -0.87 0.00 0.00 176.83 176.30 1joq h GLU 129 N 1.20 0.94 0.00 4.77 4.22 0.16 -1.44 114.58 124.43 1joq h GLU 129 Ca 0.36 -0.11 -0.05 0.00 0.08 0.00 0.00 59.36 59.65 1joq h GLU 129 Cb -0.04 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1joq h GLU 129 CO -0.10 0.70 -0.22 0.00 -2.18 0.00 0.00 179.01 177.21 1joq h ALA 130 N 1.19 1.37 -0.11 2.92 0.00 -0.49 -2.21 119.26 121.93 1joq h ALA 130 Ca 0.24 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1joq h ALA 130 Cb 0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1joq h ALA 130 CO -0.04 0.28 -0.04 0.37 0.00 0.00 0.00 179.25 179.82 1joq h GLN 131 N 0.00 0.23 -0.07 0.00 5.75 -0.48 -2.17 115.11 118.37 1joq h GLN 131 Ca -0.00 -0.09 -0.04 0.00 -0.15 0.00 0.00 58.65 58.37 1joq h GLN 131 Cb 0.47 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.00 1joq h GLN 131 CO 0.03 0.55 -0.13 0.00 -2.65 0.00 0.00 178.83 176.64 1joq h ALA 132 N 0.67 1.66 -0.29 3.38 0.00 -1.16 -1.36 119.26 122.16 1joq h ALA 132 Ca 0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1joq h ALA 132 Cb 0.48 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1joq h ALA 132 CO 0.01 0.25 0.01 0.87 0.00 0.00 0.00 179.25 180.40 1joq h LYS 133 N 0.11 0.50 0.00 0.00 1.57 -1.13 -1.24 116.57 116.37 1joq h LYS 133 Ca 0.02 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1joq h LYS 133 Cb 0.30 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1joq h LYS 133 CO 0.02 0.64 0.00 0.87 -0.57 0.00 0.00 179.45 180.41 1joq h LYS 134 N 0.30 0.00 0.00 3.15 1.79 -0.92 -2.56 116.57 118.33 1joq h LYS 134 Ca 0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1joq h LYS 134 Cb 0.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1joq h LYS 134 CO 0.01 0.00 -0.74 0.93 -1.08 0.00 0.00 179.45 178.58 1joq h GLU 135 N 0.00 0.00 -6.40 3.15 5.08 -0.56 -3.48 114.58 112.37 1joq h GLU 135 Ca 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.97 1joq h GLU 135 Cb 0.48 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.74 1joq h GLU 135 CO 0.00 0.00 -0.83 1.63 -1.00 0.00 0.00 179.01 178.81 1joq n LYS 136 N -2.56 -1.28 -4.75 2.33 5.02 -0.53 -4.86 118.16 111.53 1joq n LYS 136 Ca 0.02 0.77 -0.33 0.00 -2.02 0.00 0.00 58.31 56.74 1joq n LYS 136 Cb 0.51 -3.36 -0.12 0.00 -0.02 0.00 0.00 35.03 32.04 1joq n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1joq s LEU 137 N -5.36 2.93 0.00 -0.35 1.43 -1.25 -3.22 118.68 112.86 1joq s LEU 137 Ca 0.15 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1joq s LEU 137 Cb -0.07 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.53 1joq s LEU 137 CO 0.87 0.33 0.00 -0.46 0.23 0.00 0.00 176.35 177.32 1joq n ASN 138 N 2.44 0.00 0.27 2.29 0.23 -1.26 -1.00 115.26 118.22 1joq n ASN 138 Ca -0.18 0.00 -0.15 0.00 -0.53 0.00 0.00 54.58 53.72 1joq n ASN 138 Cb 0.53 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.14 1joq n ASN 138 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 1joq h ILE 139 N 0.00 0.45 0.00 1.53 2.04 -1.80 -2.47 117.51 117.26 1joq h ILE 139 Ca 0.00 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1joq h ILE 139 Cb 0.00 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1joq h ILE 139 CO 0.00 0.05 0.00 0.79 0.00 0.00 0.00 178.15 178.99 1joq n TRP 140 N -5.31 0.00 -0.22 1.37 7.02 -0.17 -3.59 117.44 116.54 1joq n TRP 140 Ca -0.11 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.36 1joq n TRP 140 Cb 0.31 0.00 0.22 0.00 -2.42 0.00 0.00 31.31 29.42 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 0.88 -1.10 -0.99 0.87 -1.32 -3.33 113.55 108.56 1joq h SER 141 Ca 0.00 -0.04 -0.50 0.00 -1.23 0.00 0.00 61.79 60.02 1joq h SER 141 Cb 0.00 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 1joq h SER 141 CO 0.00 0.67 -0.26 -1.61 -0.53 0.00 0.00 176.83 175.10 1joq s GLU 142 N -5.78 2.47 -0.08 2.24 0.41 -1.24 -4.85 118.70 111.88 1joq s GLU 142 Ca -0.11 -1.61 0.11 0.00 -0.41 0.00 0.00 54.97 52.96 1joq s GLU 142 Cb 0.17 -2.47 -0.24 0.00 -1.78 0.00 0.00 34.13 29.82 1joq s GLU 142 CO 0.79 -0.48 0.54 -3.47 -0.49 0.00 0.00 175.26 172.14 1joq n ASP 143 N -1.85 0.90 -3.62 -0.19 -0.08 -1.26 -5.01 116.55 105.45 1joq n ASP 143 Ca 0.07 0.33 -0.19 0.00 -1.51 0.00 0.00 54.79 53.49 1joq n ASP 143 Cb 0.62 -0.01 0.00 0.00 2.34 0.00 0.00 41.12 44.07 1joq n ASP 143 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1joq n ASN 144 N -3.05 -5.54 0.00 1.67 5.03 -1.26 -4.92 115.26 107.18 1joq n ASN 144 Ca -0.21 -0.76 0.00 0.00 0.87 0.00 0.00 54.58 54.48 1joq n ASN 144 Cb 1.07 -2.55 0.00 0.00 -1.02 0.00 0.00 39.78 37.28 1joq n ASN 144 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1joq n ALA 145 N -2.47 0.00 -3.70 5.41 0.00 -1.26 -5.15 120.51 113.34 1joq n ALA 145 Ca -0.24 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.03 1joq n ALA 145 Cb 0.65 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.93 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 0.00 0.62 -1.34 0.00 1.47 -1.26 -5.05 116.67 111.11 1joq s ASP 146 Ca 0.00 0.18 -0.09 0.00 1.18 0.00 0.00 52.55 53.82 1joq s ASP 146 Cb 0.00 0.05 0.12 0.00 -0.34 0.00 0.00 42.92 42.75 1joq s ASP 146 CO 0.00 -0.21 2.12 -1.20 0.68 0.00 0.00 175.17 176.56 1joq n SER 147 N 4.92 5.95 -4.41 2.11 7.64 -1.26 -4.90 113.62 123.67 1joq n SER 147 Ca -0.12 -3.05 -0.45 0.00 1.01 0.00 0.00 58.87 56.26 1joq n SER 147 Cb 0.50 -1.47 -0.03 0.00 -1.01 0.00 0.00 64.21 62.20 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 1.07 1.98 0.00 0.23 0.00 -1.26 -5.36 107.32 103.99 1joq s GLY 148 Ca 0.46 -2.66 0.00 0.00 0.00 0.00 0.00 44.72 42.52 1joq s GLY 148 CO -0.04 1.77 0.00 -0.18 0.00 0.00 0.00 173.10 174.66