#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 -3.54 -1.96 0.00 -1.04 -1.26 -4.96 114.28 101.51 1joq n THR 2 Ca 0.00 1.68 -0.03 0.00 -2.04 0.00 0.00 64.05 63.67 1joq n THR 2 Cb 0.00 -2.58 0.00 0.00 -1.82 0.00 0.00 70.33 65.93 1joq n THR 2 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1joq n SER 3 N -1.98 -4.06 -4.54 8.00 2.88 -1.26 -4.96 113.62 107.69 1joq n SER 3 Ca 0.00 0.21 -0.43 0.00 -1.33 0.00 0.00 58.87 57.32 1joq n SER 3 Cb 0.30 -2.52 -0.06 0.00 -0.75 0.00 0.00 64.21 61.18 1joq n SER 3 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1joq s THR 4 N -1.50 4.75 -0.80 2.46 2.01 -1.26 -4.97 115.64 116.33 1joq s THR 4 Ca 0.08 0.42 0.02 0.00 0.31 0.00 0.00 61.69 62.52 1joq s THR 4 Cb -0.02 -4.23 0.22 0.00 0.01 0.00 0.00 72.50 68.48 1joq s THR 4 CO 0.27 -0.58 0.75 1.17 -0.69 0.00 0.00 174.62 175.54 1joq n LYS 5 N 6.43 2.54 -2.67 4.92 3.00 -1.26 -4.79 118.16 126.33 1joq n LYS 5 Ca 0.01 -4.54 -0.04 0.00 -0.00 0.00 0.00 58.31 53.74 1joq n LYS 5 Cb 0.48 -2.35 0.11 0.00 0.00 0.00 0.00 35.03 33.27 1joq n LYS 5 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1joq n LYS 6 N 1.78 0.23 0.00 1.64 4.76 -1.26 -5.14 118.16 120.16 1joq n LYS 6 Ca 0.23 -0.82 0.00 0.00 -2.87 0.00 0.00 58.31 54.86 1joq n LYS 6 Cb 0.37 -0.23 0.00 0.00 -1.84 0.00 0.00 35.03 33.33 1joq n LYS 6 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1joq n LEU 7 N 0.46 0.00 -3.83 -0.35 4.77 -1.26 -4.66 117.00 112.14 1joq n LEU 7 Ca -0.05 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.64 1joq n LEU 7 Cb 0.75 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.68 1joq n LEU 7 CO -0.09 -0.74 -0.39 -2.28 -1.33 0.00 0.00 177.39 172.55 1joq s HIS 8 N 0.00 1.63 -0.21 -1.77 5.65 -1.26 -5.08 115.29 114.24 1joq s HIS 8 Ca 0.00 -1.25 -0.10 0.00 0.25 0.00 0.00 55.06 53.96 1joq s HIS 8 Cb 0.00 -1.27 -0.05 0.00 -1.18 0.00 0.00 32.58 30.08 1joq s HIS 8 CO 0.00 -0.68 0.15 0.15 -0.65 0.00 0.00 174.74 173.71 1joq s LYS 9 N 1.65 4.15 0.42 2.88 1.02 -1.26 -3.99 119.74 124.62 1joq s LYS 9 Ca -0.03 -0.22 0.03 0.00 0.02 0.00 0.00 55.97 55.78 1joq s LYS 9 Cb -0.18 -3.46 -0.04 0.00 -0.52 0.00 0.00 37.83 33.64 1joq s LYS 9 CO -0.07 0.22 0.06 -1.21 -0.92 0.00 0.00 175.35 173.43 1joq s GLU 10 N 0.60 1.96 0.62 1.68 2.02 -1.00 -4.93 118.70 119.64 1joq s GLU 10 Ca 0.08 -2.18 -0.09 0.00 0.02 0.00 0.00 54.97 52.81 1joq s GLU 10 Cb -0.12 -1.08 -0.00 0.00 0.10 0.00 0.00 34.13 33.03 1joq s GLU 10 CO 0.00 -0.33 0.97 -1.25 0.02 0.00 0.00 175.26 174.68 1joq s PRO 11 N -3.80 3.11 0.24 0.39 0.04 -1.26 -1.34 135.00 132.38 1joq s PRO 11 Ca 0.22 0.32 -0.06 0.00 0.04 0.00 0.00 61.00 61.52 1joq s PRO 11 Cb 0.05 -2.17 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 1joq s PRO 11 CO 0.12 -0.72 0.34 0.00 0.04 0.00 0.00 177.00 176.78 1joq s ALA 12 N -3.11 0.49 -0.10 8.56 0.00 -0.25 -4.71 121.76 122.64 1joq s ALA 12 Ca 0.55 -1.31 0.04 0.00 0.00 0.00 0.00 51.96 51.23 1joq s ALA 12 Cb -0.11 1.22 0.00 0.00 0.00 0.00 0.00 23.12 24.23 1joq s ALA 12 CO 0.49 -0.74 -0.22 0.99 0.00 0.00 0.00 175.76 176.28 1joq s THR 13 N -3.92 1.92 -0.62 0.00 2.01 -0.59 -4.65 115.64 109.78 1joq s THR 13 Ca 0.30 -0.93 -0.27 0.00 0.31 0.00 0.00 61.69 61.10 1joq s THR 13 Cb 0.02 -1.67 0.01 0.00 0.01 0.00 0.00 72.50 70.87 1joq s THR 13 CO 0.12 0.53 1.51 -0.22 -0.69 0.00 0.00 174.62 175.87 1joq s LEU 14 N 0.46 3.31 -0.04 4.42 1.98 -1.26 -1.16 118.68 126.38 1joq s LEU 14 Ca -0.17 0.12 -0.03 0.00 -2.89 0.00 0.00 54.13 51.17 1joq s LEU 14 Cb -0.17 -2.79 -0.01 0.00 0.66 0.00 0.00 46.19 43.88 1joq s LEU 14 CO 0.07 -1.93 -0.05 -0.38 -1.89 0.00 0.00 176.35 172.17 1joq n ILE 15 N 6.84 0.41 -3.53 6.68 5.41 -0.88 -4.97 119.36 129.31 1joq n ILE 15 Ca 0.12 0.42 0.00 0.00 1.00 0.00 0.00 62.75 64.29 1joq n ILE 15 Cb 0.50 -1.76 -0.03 0.00 -0.71 0.00 0.00 39.64 37.63 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 -1.36 0.54 0.66 0.38 2.47 -0.97 -5.03 119.74 116.42 1joq s LYS 16 Ca -0.04 1.28 -0.15 0.00 -1.56 0.00 0.00 55.97 55.50 1joq s LYS 16 Cb 0.01 0.77 -0.00 0.00 -1.46 0.00 0.00 37.83 37.14 1joq s LYS 16 CO 0.06 -0.26 1.11 0.00 0.16 0.00 0.00 175.35 176.42 1joq s ALA 17 N 2.85 2.48 0.00 3.13 0.00 -1.26 -2.14 121.76 126.82 1joq s ALA 17 Ca -0.01 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.48 1joq s ALA 17 Cb -0.12 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1joq s ALA 17 CO -0.19 -1.26 0.00 -0.89 0.00 0.00 0.00 175.76 173.42 1joq n ILE 18 N -2.41 0.00 -2.34 0.00 5.41 -0.29 -4.85 119.36 114.88 1joq n ILE 18 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.85 1joq n ILE 18 Cb 0.52 -0.50 0.00 0.00 -0.71 0.00 0.00 39.64 38.95 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 -2.46 0.00 -0.08 4.38 -0.08 -0.52 -4.97 116.55 112.83 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 0.47 0.00 0.29 0.00 2.34 0.00 0.00 41.12 44.22 1joq n ASP 19 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1joq n GLY 20 N 0.00 -1.05 0.10 0.27 0.00 -1.26 -4.03 105.19 99.22 1joq n GLY 20 Ca 0.00 -0.37 0.01 0.00 0.00 0.00 0.00 46.02 45.66 1joq n GLY 20 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1joq n ASP 21 N -1.24 0.48 -3.55 1.61 9.92 -1.26 -4.89 116.55 117.63 1joq n ASP 21 Ca 0.08 -1.50 -0.25 0.00 -0.53 0.00 0.00 54.79 52.59 1joq n ASP 21 Cb 0.34 -0.07 -0.15 0.00 -0.64 0.00 0.00 41.12 40.60 1joq n ASP 21 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1joq s THR 22 N -0.35 -0.15 0.02 -3.53 2.01 -1.26 -2.96 115.64 109.43 1joq s THR 22 Ca 0.02 -0.39 0.06 0.00 0.31 0.00 0.00 61.69 61.69 1joq s THR 22 Cb 0.02 -0.77 -0.02 0.00 0.01 0.00 0.00 72.50 71.74 1joq s THR 22 CO 0.00 -0.44 -0.17 0.68 -0.69 0.00 0.00 174.62 174.00 1joq s VAL 23 N 2.18 1.35 -0.24 3.82 -7.23 -1.02 -1.14 120.40 118.13 1joq s VAL 23 Ca 0.06 -0.95 -0.12 0.00 -1.81 0.00 0.00 61.98 59.16 1joq s VAL 23 Cb -0.16 -1.17 -0.05 0.00 0.56 0.00 0.00 36.38 35.56 1joq s VAL 23 CO -0.21 0.20 0.24 -0.54 -0.31 0.00 0.00 175.10 174.48 1joq s LYS 24 N -0.87 4.06 0.34 4.82 1.02 -0.91 -1.46 119.74 126.75 1joq s LYS 24 Ca 0.05 -0.15 0.03 0.00 0.02 0.00 0.00 55.97 55.93 1joq s LYS 24 Cb -0.08 -3.58 -0.04 0.00 -0.52 0.00 0.00 37.83 33.62 1joq s LYS 24 CO 0.01 -0.05 0.12 -0.51 -0.92 0.00 0.00 175.35 174.00 1joq s LEU 25 N 1.37 1.90 -0.19 3.17 1.43 -1.02 -2.08 118.68 123.27 1joq s LEU 25 Ca 0.11 -1.55 -0.04 0.00 -1.03 0.00 0.00 54.13 51.61 1joq s LEU 25 Cb -0.14 -0.06 -0.02 0.00 0.03 0.00 0.00 46.19 46.00 1joq s LEU 25 CO 0.07 -0.83 -0.02 -0.32 0.23 0.00 0.00 176.35 175.48 1joq s MET 26 N -3.81 3.57 -0.07 1.70 1.75 -0.31 -2.51 119.30 119.62 1joq s MET 26 Ca 0.32 -0.55 0.01 0.00 -1.25 0.00 0.00 55.69 54.22 1joq s MET 26 Cb 0.05 -3.02 0.02 0.00 2.84 0.00 0.00 34.83 34.72 1joq s MET 26 CO 0.16 0.02 -0.08 -0.47 -0.65 0.00 0.00 175.02 174.00 1joq s TYR 27 N 0.95 1.20 -1.51 4.11 6.14 -0.68 -1.54 117.35 126.02 1joq s TYR 27 Ca 0.01 -0.47 -0.04 0.00 0.64 0.00 0.00 57.07 57.20 1joq s TYR 27 Cb -0.14 -0.99 0.00 0.00 0.42 0.00 0.00 41.96 41.25 1joq s TYR 27 CO 0.01 -0.33 0.52 1.63 0.64 0.00 0.00 175.55 178.02 1joq n LYS 28 N 4.35 -4.33 -2.64 4.97 4.76 -1.26 -1.57 118.16 122.44 1joq n LYS 28 Ca -0.19 0.88 -0.17 0.00 -2.87 0.00 0.00 58.31 55.96 1joq n LYS 28 Cb 0.51 -5.64 0.01 0.00 -1.84 0.00 0.00 35.03 28.07 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 -1.44 -0.30 2.78 0.72 0.00 -1.26 -4.99 105.19 100.70 1joq n GLY 29 Ca -0.12 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 1joq n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1joq s GLN 30 N -5.20 -0.02 0.05 1.61 0.74 -0.61 -5.13 119.66 111.11 1joq s GLN 30 Ca 0.14 0.31 -0.31 0.00 0.05 0.00 0.00 55.36 55.56 1joq s GLN 30 Cb -0.06 -0.31 -0.06 0.00 1.10 0.00 0.00 33.01 33.68 1joq s GLN 30 CO 0.18 -0.23 1.29 -1.25 -0.55 0.00 0.00 175.29 174.73 1joq s PRO 31 N 1.53 4.36 -0.05 1.67 0.04 -1.26 -1.68 135.00 139.61 1joq s PRO 31 Ca -0.04 1.88 -0.19 0.00 0.04 0.00 0.00 61.00 62.70 1joq s PRO 31 Cb -0.12 -3.38 0.04 0.00 0.04 0.00 0.00 34.50 31.07 1joq s PRO 31 CO -0.04 -0.39 0.43 1.41 0.04 0.00 0.00 177.00 178.45 1joq s MET 32 N 1.44 0.74 -0.34 4.56 1.75 -1.04 -4.99 119.30 121.43 1joq s MET 32 Ca 0.61 0.06 -0.18 0.00 -1.25 0.00 0.00 55.69 54.92 1joq s MET 32 Cb -0.31 0.34 -0.01 0.00 2.84 0.00 0.00 34.83 37.69 1joq s MET 32 CO 0.28 -0.20 0.53 0.95 -0.65 0.00 0.00 175.02 175.93 1joq s THR 33 N -1.04 5.01 -0.04 10.11 -4.23 -1.26 -2.42 115.64 121.77 1joq s THR 33 Ca -0.11 0.45 -0.11 0.00 -1.18 0.00 0.00 61.69 60.73 1joq s THR 33 Cb -0.04 -3.96 -0.05 0.00 1.34 0.00 0.00 72.50 69.80 1joq s THR 33 CO 0.05 -0.18 0.30 -0.36 -0.54 0.00 0.00 174.62 173.89 1joq s PHE 34 N 2.42 3.67 -0.09 3.99 0.08 -0.53 -1.00 117.98 126.52 1joq s PHE 34 Ca 0.20 0.80 0.04 0.00 0.12 0.00 0.00 56.93 58.09 1joq s PHE 34 Cb -0.15 -2.15 -0.01 0.00 -0.57 0.00 0.00 43.02 40.14 1joq s PHE 34 CO 0.13 0.68 -0.21 0.50 -0.10 0.00 0.00 175.22 176.21 1joq s ARG 35 N -1.11 2.90 0.01 0.44 6.06 -0.88 -2.42 118.95 123.95 1joq s ARG 35 Ca 0.21 -0.84 -0.35 0.00 -2.50 0.00 0.00 55.73 52.25 1joq s ARG 35 Cb -0.15 -2.32 -0.14 0.00 0.06 0.00 0.00 34.95 32.40 1joq s ARG 35 CO 0.10 0.29 1.64 1.28 -2.50 0.00 0.00 175.30 176.11 1joq n LEU 36 N 3.22 2.79 -4.85 -0.88 4.77 -1.15 -4.17 117.00 116.73 1joq n LEU 36 Ca -0.18 1.06 -0.32 0.00 -0.03 0.00 0.00 56.01 56.54 1joq n LEU 36 Cb 0.52 -1.32 -0.05 0.00 -2.33 0.00 0.00 43.42 40.25 1joq n LEU 36 CO 0.27 -0.40 0.52 -0.76 -1.33 0.00 0.00 177.39 175.69 1joq s LEU 37 N 2.08 3.88 0.00 2.23 1.43 -1.25 -3.70 118.68 123.35 1joq s LEU 37 Ca 0.87 1.35 0.00 0.00 -1.03 0.00 0.00 54.13 55.32 1joq s LEU 37 Cb -0.80 -4.22 0.00 0.00 0.03 0.00 0.00 46.19 41.21 1joq s LEU 37 CO 0.48 -0.37 0.00 0.18 0.23 0.00 0.00 176.35 176.87 1joq n LEU 38 N -0.96 0.69 -4.12 1.79 4.77 -1.25 -4.94 117.00 112.99 1joq n LEU 38 Ca 0.04 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.93 1joq n LEU 38 Cb 0.54 -1.73 -0.10 0.00 -2.33 0.00 0.00 43.42 39.80 1joq n LEU 38 CO 0.44 -0.63 -0.28 0.68 -1.33 0.00 0.00 177.39 176.27 1joq s VAL 39 N -1.42 0.12 -0.24 4.08 -7.23 -1.20 -2.23 120.40 112.28 1joq s VAL 39 Ca 0.00 -1.84 -0.12 0.00 -1.81 0.00 0.00 61.98 58.22 1joq s VAL 39 Cb 0.00 -1.94 0.08 0.00 0.56 0.00 0.00 36.38 35.08 1joq s VAL 39 CO 0.00 -0.53 0.56 -0.62 -0.31 0.00 0.00 175.10 174.20 1joq s ASP 40 N -3.02 -0.75 0.67 4.85 2.15 -0.20 -4.52 116.67 115.85 1joq s ASP 40 Ca 0.21 1.26 -0.11 0.00 0.43 0.00 0.00 52.55 54.34 1joq s ASP 40 Cb 0.07 1.32 -0.01 0.00 -0.30 0.00 0.00 42.92 44.00 1joq s ASP 40 CO -0.00 -0.22 1.05 0.42 -0.17 0.00 0.00 175.17 176.25 1joq s THR 41 N 1.88 4.26 0.46 1.71 -4.23 -1.26 -2.44 115.64 116.02 1joq s THR 41 Ca -0.08 0.73 -0.21 0.00 -1.18 0.00 0.00 61.69 60.95 1joq s THR 41 Cb -0.08 -3.59 -0.09 0.00 1.34 0.00 0.00 72.50 70.08 1joq s THR 41 CO -0.17 -0.96 1.02 -2.16 -0.54 0.00 0.00 174.62 171.81 1joq s PRO 42 N -5.12 3.94 0.22 3.99 0.04 -1.26 -4.96 135.00 131.86 1joq s PRO 42 Ca 0.57 1.31 -0.29 0.00 0.04 0.00 0.00 61.00 62.64 1joq s PRO 42 Cb -0.13 -2.16 -0.16 0.00 0.04 0.00 0.00 34.50 32.10 1joq s PRO 42 CO 0.54 -0.30 0.75 -1.91 0.04 0.00 0.00 177.00 176.12 1joq n GLU 43 N -0.80 0.55 -2.62 4.56 4.07 -1.26 -4.88 120.64 120.26 1joq n GLU 43 Ca 0.08 0.19 -0.05 0.00 -0.06 0.00 0.00 57.16 57.33 1joq n GLU 43 Cb 0.53 -1.37 0.05 0.00 -0.06 0.00 0.00 31.44 30.58 1joq n GLU 43 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 1joq n THR 44 N 0.21 0.00 0.00 6.31 5.66 -1.26 -4.96 114.28 120.24 1joq n THR 44 Ca 0.15 -1.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.15 1joq n THR 44 Cb 0.27 0.78 0.00 0.00 -1.55 0.00 0.00 70.33 69.82 1joq n THR 44 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1joq n LYS 45 N -0.59 0.00 -3.10 1.09 5.02 -1.26 -5.06 118.16 114.26 1joq n LYS 45 Ca -0.15 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.16 1joq n LYS 45 Cb 0.74 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.75 1joq n LYS 45 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1joq s HIS 46 N 0.00 -1.31 0.00 2.13 2.46 -1.26 -4.89 115.29 112.42 1joq s HIS 46 Ca 0.00 0.43 0.00 0.00 0.47 0.00 0.00 55.06 55.96 1joq s HIS 46 Cb 0.00 0.23 0.00 0.00 -0.13 0.00 0.00 32.58 32.68 1joq s HIS 46 CO 0.00 -0.84 0.01 -0.35 -2.47 0.00 0.00 174.74 171.09 1joq n PRO 47 N 4.61 0.00 -0.00 2.88 -0.04 -1.26 -4.89 135.00 136.30 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 0.58 -0.13 -0.01 0.00 -0.04 0.00 0.00 33.50 33.90 1joq n PRO 47 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1joq n LYS 48 N -0.05 1.50 -2.66 0.54 5.02 -1.26 -4.92 118.16 116.33 1joq n LYS 48 Ca 0.00 -0.01 -0.03 0.00 -2.02 0.00 0.00 58.31 56.25 1joq n LYS 48 Cb 0.00 -1.03 0.07 0.00 -0.02 0.00 0.00 35.03 34.05 1joq n LYS 48 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1joq n LYS 49 N -1.74 0.09 -0.05 1.97 4.81 -1.26 -5.14 118.16 116.84 1joq n LYS 49 Ca -0.01 -0.61 0.01 0.00 -0.87 0.00 0.00 58.31 56.83 1joq n LYS 49 Cb 0.23 -0.06 -0.00 0.00 0.02 0.00 0.00 35.03 35.22 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 0.16 -2.14 0.00 3.14 0.00 -1.26 -4.86 105.19 100.23 1joq n GLY 50 Ca -0.14 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1joq n GLY 50 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1joq n VAL 51 N -0.69 0.00 -3.29 1.61 0.31 -1.26 -4.65 118.33 110.35 1joq n VAL 51 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 1joq n VAL 51 Cb 0.02 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 1joq n VAL 51 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1joq n GLU 52 N -2.20 -1.53 -2.65 5.55 1.02 -1.26 -4.95 120.64 114.61 1joq n GLU 52 Ca 0.00 1.33 -0.02 0.00 -0.02 0.00 0.00 57.16 58.44 1joq n GLU 52 Cb 0.39 -4.47 0.12 0.00 -0.02 0.00 0.00 31.44 27.46 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 -1.80 0.05 -0.91 3.49 3.00 -1.26 -4.91 118.16 115.82 1joq n LYS 53 Ca -0.09 -0.57 0.00 0.00 -0.00 0.00 0.00 58.31 57.65 1joq n LYS 53 Cb 0.57 -0.05 0.00 0.00 0.00 0.00 0.00 35.03 35.55 1joq n LYS 53 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1joq n TYR 54 N 0.54 0.00 -0.29 5.64 9.36 -1.26 -4.85 117.16 126.29 1joq n TYR 54 Ca -0.07 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.08 1joq n TYR 54 Cb 0.76 -1.10 -0.02 0.00 -0.63 0.00 0.00 39.34 38.35 1joq n TYR 54 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1joq h GLY 55 N 0.00 -0.37 -6.84 2.98 0.00 -1.93 -3.33 103.07 93.58 1joq h GLY 55 Ca 0.00 0.59 -0.56 0.00 0.00 0.00 0.00 47.33 47.36 1joq h GLY 55 CO 0.00 -0.14 1.03 2.56 0.00 0.00 0.00 176.54 179.99 1joq s PRO 56 N -5.81 3.55 0.07 4.80 0.04 -1.26 -4.44 135.00 131.94 1joq s PRO 56 Ca -0.14 0.66 0.00 0.00 0.04 0.00 0.00 61.00 61.57 1joq s PRO 56 Cb 0.15 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.68 1joq s PRO 56 CO 0.67 -1.61 0.00 -1.91 0.04 0.00 0.00 177.00 174.19 1joq n GLU 57 N 8.17 0.00 -0.02 4.56 0.00 -1.25 -4.98 120.64 127.12 1joq n GLU 57 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.17 1joq n GLU 57 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.83 1joq n GLU 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1joq h ALA 58 N 0.00 0.00 -0.59 4.31 0.00 -1.86 -1.70 119.26 119.42 1joq h ALA 58 Ca 0.00 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 54.76 1joq h ALA 58 Cb 0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.67 1joq h ALA 58 CO 0.00 -0.24 -0.31 1.03 0.00 0.00 0.00 179.25 179.73 1joq h SER 59 N -0.51 -1.08 0.23 0.00 0.87 -1.87 0.66 113.55 111.85 1joq h SER 59 Ca 0.00 0.22 -0.06 0.00 -1.23 0.00 0.00 61.79 60.73 1joq h SER 59 Cb 0.52 0.55 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 1joq h SER 59 CO 0.00 -0.29 -0.25 0.00 -0.53 0.00 0.00 176.83 175.76 1joq h ALA 60 N 1.09 1.55 0.28 6.23 0.00 -1.91 -1.11 119.26 125.38 1joq h ALA 60 Ca 0.24 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1joq h ALA 60 Cb 0.54 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1joq h ALA 60 CO -0.68 0.34 -0.47 0.35 0.00 0.00 0.00 179.25 178.80 1joq h PHE 61 N 0.04 -1.31 0.00 0.00 3.57 0.13 -1.18 116.94 118.20 1joq h PHE 61 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1joq h PHE 61 Cb 0.46 0.53 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1joq h PHE 61 CO 0.00 -0.59 0.00 0.00 -2.23 0.00 0.00 178.31 175.49 1joq h THR 62 N -0.81 0.00 0.03 4.41 1.03 -1.31 -2.38 112.91 113.89 1joq h THR 62 Ca -0.02 -0.51 -0.00 0.00 -0.01 0.00 0.00 66.41 65.87 1joq h THR 62 Cb 0.76 1.44 0.00 0.00 -1.07 0.00 0.00 68.15 69.29 1joq h THR 62 CO -0.17 0.00 -0.01 0.50 -0.01 0.00 0.00 175.52 175.82 1joq h LYS 63 N 0.00 -0.04 0.00 0.00 3.64 0.00 -1.72 116.57 118.45 1joq h LYS 63 Ca 0.00 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 1joq h LYS 63 Cb 0.66 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 1joq h LYS 63 CO 0.00 0.10 -0.81 0.87 -2.27 0.00 0.00 179.45 177.33 1joq h LYS 64 N -0.16 0.00 0.83 1.90 6.56 -1.41 -2.41 116.57 121.88 1joq h LYS 64 Ca -0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.55 1joq h LYS 64 Cb 0.15 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.82 1joq h LYS 64 CO 0.01 0.64 -0.42 1.98 -2.06 0.00 0.00 179.45 179.59 1joq h MET 65 N 0.00 -1.10 -0.39 3.15 4.05 -1.24 -0.18 114.93 119.22 1joq h MET 65 Ca -0.04 0.08 -0.15 0.00 -0.28 0.00 0.00 59.70 59.31 1joq h MET 65 Cb 1.56 0.25 -0.01 0.00 -0.80 0.00 0.00 31.60 32.60 1joq h MET 65 CO 0.08 -0.73 -0.33 -0.39 0.23 0.00 0.00 176.91 175.77 1joq h VAL 66 N -1.14 1.27 -0.28 -5.77 -1.51 -1.45 0.18 116.25 107.55 1joq h VAL 66 Ca -0.11 -1.50 0.07 0.00 -1.23 0.00 0.00 66.70 63.93 1joq h VAL 66 Cb 0.88 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 31.36 1joq h VAL 66 CO 0.17 0.50 0.20 -0.33 -1.23 0.00 0.00 177.57 176.88 1joq h GLU 67 N 0.74 0.03 0.00 5.19 5.08 -1.37 -1.33 114.58 122.92 1joq h GLU 67 Ca 0.07 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1joq h GLU 67 Cb 0.91 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1joq h GLU 67 CO 0.08 0.02 -1.50 0.09 -1.00 0.00 0.00 179.01 176.71 1joq n ASN 68 N -4.46 0.54 -4.58 1.42 3.02 -0.09 -4.87 115.26 106.24 1joq n ASN 68 Ca 0.03 -0.46 -0.41 0.00 -0.03 0.00 0.00 54.58 53.71 1joq n ASN 68 Cb 0.33 1.51 -0.03 0.00 -0.61 0.00 0.00 39.78 40.99 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 -3.22 2.51 -0.38 5.41 0.00 0.60 -4.79 121.76 121.89 1joq s ALA 69 Ca -0.00 0.10 0.25 0.00 0.00 0.00 0.00 51.96 52.30 1joq s ALA 69 Cb 0.14 -4.14 1.05 0.00 0.00 0.00 0.00 23.12 20.18 1joq s ALA 69 CO 0.86 -3.21 1.75 0.87 0.00 0.00 0.00 175.76 176.04 1joq h LYS 70 N 14.65 0.00 -4.47 0.00 1.57 -1.89 -3.42 116.57 123.01 1joq h LYS 70 Ca -0.32 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.07 1joq h LYS 70 Cb 1.19 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.20 1joq h LYS 70 CO 1.08 0.00 -0.78 0.15 -0.57 0.00 0.00 179.45 179.33 1joq s LYS 71 N -3.38 0.79 -0.03 3.15 -0.14 -1.26 -5.05 119.74 113.81 1joq s LYS 71 Ca 0.03 -0.25 0.01 0.00 -1.36 0.00 0.00 55.97 54.40 1joq s LYS 71 Cb 0.09 -0.76 0.03 0.00 -1.68 0.00 0.00 37.83 35.51 1joq s LYS 71 CO 0.40 0.10 -0.01 0.42 -0.76 0.00 0.00 175.35 175.50 1joq s ILE 72 N 0.18 0.30 0.31 2.17 1.01 -1.26 -3.32 121.20 120.59 1joq s ILE 72 Ca -0.02 0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.68 1joq s ILE 72 Cb -0.07 -0.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.99 1joq s ILE 72 CO 0.00 0.17 0.16 -1.61 0.00 0.00 0.00 174.94 173.66 1joq s GLU 73 N 0.98 1.63 0.00 2.79 2.02 -0.94 -1.09 118.70 124.09 1joq s GLU 73 Ca -0.10 -1.94 -0.00 0.00 0.02 0.00 0.00 54.97 52.95 1joq s GLU 73 Cb -0.14 -0.13 -0.00 0.00 0.10 0.00 0.00 34.13 33.96 1joq s GLU 73 CO -0.01 -0.46 0.00 0.14 0.02 0.00 0.00 175.26 174.95 1joq s VAL 74 N -3.56 0.01 -0.57 2.63 -7.23 -0.45 -1.61 120.40 109.62 1joq s VAL 74 Ca 0.35 -0.10 0.03 0.00 -1.81 0.00 0.00 61.98 60.44 1joq s VAL 74 Cb 0.05 -0.05 0.14 0.00 0.56 0.00 0.00 36.38 37.08 1joq s VAL 74 CO 0.18 -0.06 0.34 -0.70 -0.31 0.00 0.00 175.10 174.55 1joq s GLU 75 N -0.16 2.19 0.70 4.82 2.12 -0.44 -2.38 118.70 125.55 1joq s GLU 75 Ca -0.02 -2.71 -0.16 0.00 0.36 0.00 0.00 54.97 52.44 1joq s GLU 75 Cb -0.01 -3.44 -0.01 0.00 0.26 0.00 0.00 34.13 30.94 1joq s GLU 75 CO -0.00 -1.15 0.94 1.19 -0.54 0.00 0.00 175.26 175.70 1joq n PHE 76 N 3.03 0.61 -1.94 5.30 3.72 -1.26 -2.20 117.46 124.73 1joq n PHE 76 Ca 0.08 0.40 -0.15 0.00 -0.05 0.00 0.00 57.45 57.73 1joq n PHE 76 Cb 0.34 -2.08 0.09 0.00 -0.94 0.00 0.00 39.48 36.89 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 -1.43 0.37 -0.84 4.37 -0.08 -1.26 -4.58 116.55 113.11 1joq n ASP 77 Ca 0.13 -1.43 0.09 0.00 -1.51 0.00 0.00 54.79 52.06 1joq n ASP 77 Cb 0.49 -0.47 0.24 0.00 2.34 0.00 0.00 41.12 43.72 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 -2.32 2.06 0.00 -0.67 0.00 -1.26 -4.82 118.16 111.15 1joq n LYS 78 Ca 0.09 -1.63 0.00 0.00 -0.00 0.00 0.00 58.31 56.77 1joq n LYS 78 Cb 0.32 -1.39 0.00 0.00 -0.00 0.00 0.00 35.03 33.97 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 1.25 0.96 3.85 2.58 0.00 -1.26 -4.89 105.19 107.68 1joq n GLY 79 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 3.71 3.60 0.00 1.61 -0.21 -1.26 -4.98 119.66 122.13 1joq s GLN 80 Ca 0.00 0.86 0.11 0.00 0.02 0.00 0.00 55.36 56.35 1joq s GLN 80 Cb 0.00 -2.08 -0.11 0.00 1.00 0.00 0.00 33.01 31.82 1joq s GLN 80 CO 0.00 -0.57 0.49 0.54 -2.12 0.00 0.00 175.29 173.64 1joq n ARG 81 N -2.43 3.19 -3.89 2.91 1.74 -1.26 -4.63 116.66 112.28 1joq n ARG 81 Ca 0.07 -0.05 -0.11 0.00 -0.77 0.00 0.00 57.85 56.99 1joq n ARG 81 Cb 0.54 -1.04 -0.11 0.00 -1.02 0.00 0.00 32.46 30.83 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 -2.02 0.06 0.00 0.55 -4.23 -1.26 -1.45 115.64 107.29 1joq s THR 82 Ca 0.05 -0.54 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 1joq s THR 82 Cb 0.09 -0.31 0.00 0.00 1.34 0.00 0.00 72.50 73.62 1joq s THR 82 CO 0.45 -0.29 0.00 0.47 -0.54 0.00 0.00 174.62 174.71 1joq n ASP 83 N 1.97 0.00 0.10 3.99 9.92 -0.89 -4.92 116.55 126.72 1joq n ASP 83 Ca -0.20 -0.61 0.12 0.00 -0.53 0.00 0.00 54.79 53.57 1joq n ASP 83 Cb 0.57 0.00 0.45 0.00 -0.64 0.00 0.00 41.12 41.50 1joq n ASP 83 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1joq n LYS 84 N -0.61 0.20 0.00 -1.24 2.85 -1.26 -2.44 118.16 115.66 1joq n LYS 84 Ca 0.00 0.29 0.14 0.00 -1.05 0.00 0.00 58.31 57.69 1joq n LYS 84 Cb 0.00 -1.80 0.52 0.00 -0.65 0.00 0.00 35.03 33.10 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 -2.16 0.00 -0.98 5.58 4.02 -1.26 -4.90 117.16 117.46 1joq n TYR 85 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 1joq n TYR 85 Cb 0.33 -0.10 0.00 0.00 -0.02 0.00 0.00 39.34 39.54 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 1.26 0.42 3.89 2.72 0.00 -1.02 -5.03 105.19 107.42 1joq n GLY 86 Ca 0.15 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.46 3.68 0.43 1.61 3.00 -1.26 -4.72 118.95 120.23 1joq s ARG 87 Ca 0.00 0.03 -0.22 0.00 0.00 0.00 0.00 55.73 55.55 1joq s ARG 87 Cb 0.00 -2.87 -0.10 0.00 0.00 0.00 0.00 34.95 31.98 1joq s ARG 87 CO 0.00 0.48 0.99 0.20 0.00 0.00 0.00 175.30 176.97 1joq s GLY 88 N -2.20 2.51 -0.13 -3.53 0.00 -0.17 -2.09 107.32 101.70 1joq s GLY 88 Ca 0.39 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.62 1joq s GLY 88 CO 0.22 0.84 -0.11 1.08 0.00 0.00 0.00 173.10 175.13 1joq s LEU 89 N -3.10 1.45 0.12 0.66 1.43 -0.53 -2.08 118.68 116.63 1joq s LEU 89 Ca 0.62 -0.39 -0.25 0.00 -1.03 0.00 0.00 54.13 53.08 1joq s LEU 89 Cb -0.14 -1.01 0.08 0.00 0.03 0.00 0.00 46.19 45.16 1joq s LEU 89 CO 0.18 -0.08 1.10 0.00 0.23 0.00 0.00 176.35 177.78 1joq s ALA 90 N 1.55 -1.85 -0.42 4.21 0.00 -1.26 -4.20 121.76 119.79 1joq s ALA 90 Ca 0.04 -0.04 -0.17 0.00 0.00 0.00 0.00 51.96 51.79 1joq s ALA 90 Cb -0.13 0.70 0.03 0.00 0.00 0.00 0.00 23.12 23.72 1joq s ALA 90 CO -0.09 -1.07 0.42 0.71 0.00 0.00 0.00 175.76 175.72 1joq s TYR 91 N -2.39 3.18 0.29 0.00 1.51 -0.93 -3.86 117.35 115.14 1joq s TYR 91 Ca 0.20 -0.45 -0.29 0.00 -1.01 0.00 0.00 57.07 55.52 1joq s TYR 91 Cb -0.01 -2.87 -0.09 0.00 -0.11 0.00 0.00 41.96 38.87 1joq s TYR 91 CO 0.02 -0.70 1.08 0.42 -1.11 0.00 0.00 175.55 175.26 1joq s ILE 92 N 2.04 3.57 -0.09 2.71 1.01 -1.26 -1.33 121.20 127.84 1joq s ILE 92 Ca 0.10 1.54 0.03 0.00 0.00 0.00 0.00 60.65 62.32 1joq s ILE 92 Cb -0.18 -3.96 0.01 0.00 0.01 0.00 0.00 42.46 38.34 1joq s ILE 92 CO 0.12 0.34 -0.18 -0.31 0.00 0.00 0.00 174.94 174.92 1joq s TYR 93 N -1.22 2.05 -0.08 3.97 1.51 -0.63 -1.07 117.35 121.89 1joq s TYR 93 Ca 0.45 -0.87 0.05 0.00 -1.01 0.00 0.00 57.07 55.69 1joq s TYR 93 Cb -0.30 -1.43 -0.00 0.00 -0.11 0.00 0.00 41.96 40.11 1joq s TYR 93 CO 0.39 -0.40 -0.24 0.00 -1.11 0.00 0.00 175.55 174.18 1joq s ALA 94 N 0.66 2.19 -1.39 3.71 0.00 -0.01 -2.21 121.76 124.70 1joq s ALA 94 Ca -0.13 -1.00 -0.00 0.00 0.00 0.00 0.00 51.96 50.83 1joq s ALA 94 Cb -0.16 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.19 1joq s ALA 94 CO 0.04 0.34 0.02 -0.25 0.00 0.00 0.00 175.76 175.91 1joq n ASP 95 N 3.28 -4.86 -0.94 0.00 8.00 -1.21 -1.54 116.55 119.28 1joq n ASP 95 Ca -0.18 -0.02 -0.10 0.00 0.71 0.00 0.00 54.79 55.19 1joq n ASP 95 Cb 0.53 -3.96 -0.03 0.00 -0.02 0.00 0.00 41.12 37.63 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 -1.03 0.66 3.40 0.44 0.00 -1.26 -5.01 105.19 102.39 1joq n GLY 96 Ca -0.19 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.55 1.50 -0.58 1.61 2.20 -0.59 -5.09 119.74 115.24 1joq s LYS 97 Ca 0.00 -1.78 -0.24 0.00 -0.36 0.00 0.00 55.97 53.59 1joq s LYS 97 Cb 0.00 -0.91 0.04 0.00 -1.51 0.00 0.00 37.83 35.46 1joq s LYS 97 CO 0.00 -0.06 0.97 1.41 -0.36 0.00 0.00 175.35 177.31 1joq s MET 98 N -3.81 3.30 0.25 4.03 -2.45 -1.26 -0.83 119.30 118.52 1joq s MET 98 Ca 0.31 -0.33 -0.04 0.00 -1.25 0.00 0.00 55.69 54.38 1joq s MET 98 Cb 0.06 -4.08 0.45 0.00 1.25 0.00 0.00 34.83 32.50 1joq s MET 98 CO 0.12 -1.57 1.75 0.28 1.05 0.00 0.00 175.02 176.65 1joq h VAL 99 N 6.02 0.73 -0.79 10.11 2.07 -1.41 0.23 116.25 133.21 1joq h VAL 99 Ca -0.27 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.12 1joq h VAL 99 Cb 1.07 0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 1joq h VAL 99 CO 1.11 0.10 0.48 0.78 0.02 0.00 0.00 177.57 180.07 1joq h ASN 100 N 0.55 0.76 0.51 0.57 4.21 -1.91 -0.08 115.58 120.20 1joq h ASN 100 Ca 0.42 0.01 -0.05 0.00 1.21 0.00 0.00 56.30 57.89 1joq h ASN 100 Cb 0.57 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.62 1joq h ASN 100 CO -0.35 0.50 -0.22 -0.08 -1.29 0.00 0.00 177.43 175.98 1joq h GLU 101 N 0.90 0.00 -0.36 0.81 4.81 -1.35 -2.57 114.58 116.81 1joq h GLU 101 Ca 0.34 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.46 1joq h GLU 101 Cb 0.13 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1joq h GLU 101 CO -0.16 0.22 -0.18 0.00 -0.73 0.00 0.00 179.01 178.17 1joq h ALA 102 N 1.78 0.51 0.33 2.92 0.00 -0.01 -0.10 119.26 124.68 1joq h ALA 102 Ca -0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1joq h ALA 102 Cb 0.54 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1joq h ALA 102 CO 0.03 0.45 -0.16 -0.07 0.00 0.00 0.00 179.25 179.50 1joq h LEU 103 N 0.56 -0.37 -2.08 0.00 3.38 -1.10 -2.09 115.31 113.60 1joq h LEU 103 Ca 0.08 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1joq h LEU 103 Cb 0.73 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1joq h LEU 103 CO 0.05 -0.10 -0.01 0.58 0.09 0.00 0.00 178.44 179.05 1joq h VAL 104 N -0.65 0.90 -0.13 1.22 2.07 -1.48 0.30 116.25 118.48 1joq h VAL 104 Ca -0.04 -0.03 -0.09 0.00 0.82 0.00 0.00 66.70 67.36 1joq h VAL 104 Cb 0.46 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1joq h VAL 104 CO 0.07 0.01 -0.30 -0.09 0.02 0.00 0.00 177.57 177.28 1joq h ARG 105 N 0.00 0.25 -0.01 1.57 9.65 -0.59 -2.00 114.38 123.25 1joq h ARG 105 Ca -0.00 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 1joq h ARG 105 Cb 0.02 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1joq h ARG 105 CO 0.00 0.54 -0.13 1.04 2.80 0.00 0.00 179.97 184.22 1joq n GLN 106 N -4.12 1.41 -2.74 0.20 6.02 -0.05 -4.82 117.38 113.29 1joq n GLN 106 Ca -0.01 -0.92 -0.07 0.00 -0.01 0.00 0.00 57.00 55.99 1joq n GLN 106 Cb 0.40 -1.48 0.03 0.00 1.02 0.00 0.00 30.24 30.21 1joq n GLN 106 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1joq n GLY 107 N 1.28 0.42 0.53 1.08 0.00 -0.38 -4.53 105.19 103.58 1joq n GLY 107 Ca 0.15 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.91 1.21 -4.74 0.99 4.77 -0.68 -3.81 117.00 112.82 1joq n LEU 108 Ca -0.02 0.20 -0.37 0.00 -0.03 0.00 0.00 56.01 55.79 1joq n LEU 108 Cb 0.53 -0.48 -0.07 0.00 -2.33 0.00 0.00 43.42 41.07 1joq n LEU 108 CO 0.20 0.10 0.04 0.00 -1.33 0.00 0.00 177.39 176.40 1joq s ALA 109 N -2.34 3.58 0.05 -1.18 0.00 -1.25 -4.49 121.76 116.13 1joq s ALA 109 Ca -0.20 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.39 1joq s ALA 109 Cb 0.07 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 1joq s ALA 109 CO 0.26 0.12 0.21 -1.59 0.00 0.00 0.00 175.76 174.76 1joq s LYS 110 N 0.32 3.45 0.04 0.00 0.00 -1.02 -4.25 119.74 118.28 1joq s LYS 110 Ca 0.20 -0.41 -0.30 0.00 0.00 0.00 0.00 55.97 55.45 1joq s LYS 110 Cb -0.14 -3.04 -0.09 0.00 0.00 0.00 0.00 37.83 34.56 1joq s LYS 110 CO 0.06 0.62 1.89 0.08 0.00 0.00 0.00 175.35 178.00 1joq s VAL 111 N -1.49 3.01 0.22 1.79 1.01 -1.26 -1.03 120.40 122.65 1joq s VAL 111 Ca 0.34 0.13 -0.16 0.00 0.00 0.00 0.00 61.98 62.29 1joq s VAL 111 Cb -0.13 -3.09 0.02 0.00 0.00 0.00 0.00 36.38 33.18 1joq s VAL 111 CO 0.27 -0.01 0.52 0.00 0.00 0.00 0.00 175.10 175.87 1joq s ALA 112 N 4.04 -0.72 -0.52 5.51 0.00 -0.95 -4.86 121.76 124.26 1joq s ALA 112 Ca 0.85 -0.45 -0.19 0.00 0.00 0.00 0.00 51.96 52.16 1joq s ALA 112 Cb -0.42 0.91 0.03 0.00 0.00 0.00 0.00 23.12 23.63 1joq s ALA 112 CO 0.39 -0.83 0.64 0.66 0.00 0.00 0.00 175.76 176.61 1joq n TYR 113 N -0.36 -3.04 -4.65 0.00 4.01 -1.26 -3.22 117.16 108.65 1joq n TYR 113 Ca -0.07 1.23 -0.33 0.00 -0.16 0.00 0.00 57.90 58.57 1joq n TYR 113 Cb 0.62 -3.27 -0.15 0.00 -0.31 0.00 0.00 39.34 36.24 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 -2.36 2.94 -0.15 -0.72 1.01 -1.26 -3.79 120.40 116.07 1joq s VAL 114 Ca 0.23 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.44 1joq s VAL 114 Cb -0.04 -2.24 0.05 0.00 0.00 0.00 0.00 36.38 34.15 1joq s VAL 114 CO 0.81 0.51 0.36 -0.31 0.00 0.00 0.00 175.10 176.47 1joq s TYR 115 N 0.57 -0.50 0.33 5.22 1.51 -1.26 -5.09 117.35 118.13 1joq s TYR 115 Ca -0.08 1.10 -0.09 0.00 -1.01 0.00 0.00 57.07 56.99 1joq s TYR 115 Cb -0.16 0.19 -0.06 0.00 -0.11 0.00 0.00 41.96 41.82 1joq s TYR 115 CO 0.03 -0.29 0.66 0.15 -1.11 0.00 0.00 175.55 174.99 1joq s LYS 116 N 1.18 3.75 -0.10 -0.62 1.02 -1.26 0.45 119.74 124.16 1joq s LYS 116 Ca -0.08 0.29 0.03 0.00 0.02 0.00 0.00 55.97 56.23 1joq s LYS 116 Cb -0.08 -2.52 0.21 0.00 -0.52 0.00 0.00 37.83 34.92 1joq s LYS 116 CO -0.10 0.12 1.06 -0.35 -0.92 0.00 0.00 175.35 175.17 1joq n PRO 117 N -0.91 1.74 -1.76 -1.68 -0.04 -1.26 -4.98 135.00 126.11 1joq n PRO 117 Ca 0.01 -0.88 -0.40 0.00 -0.04 0.00 0.00 63.50 62.18 1joq n PRO 117 Cb 0.54 -1.53 -0.01 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 0.10 7.51 -0.72 3.54 4.13 0.17 -3.90 115.26 126.11 1joq n ASN 118 Ca 0.13 -2.90 -0.04 0.00 1.68 0.00 0.00 54.58 53.45 1joq n ASN 118 Cb 0.68 -1.48 -0.04 0.00 -1.54 0.00 0.00 39.78 37.41 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 3.14 -0.51 -0.51 6.41 0.23 -1.24 -4.13 115.26 118.64 1joq n ASN 119 Ca 0.65 -1.29 0.44 0.00 -0.53 0.00 0.00 54.58 53.85 1joq n ASN 119 Cb 0.27 0.15 0.78 0.00 -2.08 0.00 0.00 39.78 38.90 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 3.88 0.19 -1.91 5.53 2.02 -1.94 0.38 112.91 121.06 1joq h THR 120 Ca -0.29 0.00 -0.68 0.00 0.77 0.00 0.00 66.41 66.21 1joq h THR 120 Cb 1.06 0.19 -0.35 0.00 -1.74 0.00 0.00 68.15 67.31 1joq h THR 120 CO -0.15 0.00 0.10 1.41 0.37 0.00 0.00 175.52 177.25 1joq n HIS 121 N -4.01 3.31 -0.07 3.16 8.25 -1.26 -4.75 115.22 119.84 1joq n HIS 121 Ca 0.35 -2.95 -0.07 0.00 -0.26 0.00 0.00 57.72 54.79 1joq n HIS 121 Cb 1.65 -0.66 -0.03 0.00 1.12 0.00 0.00 29.99 32.08 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 -0.40 0.46 -0.35 -0.41 2.13 0.13 -3.73 120.64 118.48 1joq n GLU 122 Ca 0.43 0.53 0.23 0.00 0.66 0.00 0.00 57.16 59.02 1joq n GLU 122 Cb 0.42 -1.70 0.48 0.00 0.27 0.00 0.00 31.44 30.91 1joq n GLU 122 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1joq h GLN 123 N -1.00 0.38 0.68 5.31 1.08 -1.85 0.11 115.11 119.82 1joq h GLN 123 Ca -0.04 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.10 1joq h GLN 123 Cb 0.60 -0.09 0.01 0.00 -0.05 0.00 0.00 27.48 27.95 1joq h GLN 123 CO -0.03 0.25 -0.33 1.25 -0.95 0.00 0.00 178.83 179.03 1joq h LEU 124 N 0.39 -0.77 -1.02 1.46 5.85 -1.91 -1.75 115.31 117.55 1joq h LEU 124 Ca 0.68 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.43 1joq h LEU 124 Cb 1.60 0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.83 1joq h LEU 124 CO -0.46 -0.55 0.00 0.18 -0.34 0.00 0.00 178.44 177.27 1joq n LEU 125 N -4.45 0.41 0.07 2.25 4.77 -0.58 -1.97 117.00 117.50 1joq n LEU 125 Ca -0.11 0.69 -0.03 0.00 -0.03 0.00 0.00 56.01 56.53 1joq n LEU 125 Cb 0.36 -0.73 -0.01 0.00 -2.33 0.00 0.00 43.42 40.70 1joq n LEU 125 CO 0.27 -0.81 0.24 -0.09 -1.33 0.00 0.00 177.39 175.67 1joq h ARG 126 N 0.00 -0.18 -0.21 3.23 2.43 0.07 -1.86 114.38 117.86 1joq h ARG 126 Ca 0.00 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1joq h ARG 126 Cb 0.02 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1joq h ARG 126 CO 0.00 -0.12 0.05 1.57 -1.51 0.00 0.00 179.97 179.95 1joq h LYS 127 N -0.35 0.29 -0.35 0.20 2.10 -1.34 -2.39 116.57 114.73 1joq h LYS 127 Ca -0.02 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.58 1joq h LYS 127 Cb 0.15 -0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 31.40 1joq h LYS 127 CO 0.03 0.28 0.15 0.77 -2.00 0.00 0.00 179.45 178.68 1joq h SER 128 N 0.29 0.47 -0.54 7.07 0.02 -1.46 -1.55 113.55 117.85 1joq h SER 128 Ca 0.07 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1joq h SER 128 Cb 0.13 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 1joq h SER 128 CO -0.00 0.49 0.34 -0.08 -1.14 0.00 0.00 176.83 176.43 1joq h GLU 129 N 0.42 0.72 -0.25 3.45 4.22 -0.83 -1.49 114.58 120.82 1joq h GLU 129 Ca 0.12 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.49 1joq h GLU 129 Cb 0.15 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1joq h GLU 129 CO -0.01 0.50 0.11 0.00 -2.18 0.00 0.00 179.01 177.42 1joq h ALA 130 N 1.18 1.73 -0.67 2.92 0.00 -1.23 -1.49 119.26 121.70 1joq h ALA 130 Ca 0.19 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1joq h ALA 130 Cb -0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1joq h ALA 130 CO -0.04 0.23 0.12 0.37 0.00 0.00 0.00 179.25 179.92 1joq h GLN 131 N 0.35 1.10 -0.43 0.00 4.15 -0.25 -1.97 115.11 118.05 1joq h GLN 131 Ca 0.09 -0.29 -0.10 0.00 0.77 0.00 0.00 58.65 59.12 1joq h GLN 131 Cb 0.06 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 1joq h GLN 131 CO -0.01 1.00 -0.12 0.00 -1.93 0.00 0.00 178.83 177.77 1joq h ALA 132 N 1.05 0.97 -0.70 3.38 0.00 -0.78 -1.78 119.26 121.40 1joq h ALA 132 Ca 0.20 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1joq h ALA 132 Cb 0.43 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1joq h ALA 132 CO 0.01 0.61 0.31 0.87 0.00 0.00 0.00 179.25 181.05 1joq h LYS 133 N 0.71 1.02 0.00 0.00 1.57 -0.96 0.39 116.57 119.29 1joq h LYS 133 Ca 0.12 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1joq h LYS 133 Cb 0.61 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 1joq h LYS 133 CO 0.04 0.82 -0.16 0.87 -0.57 0.00 0.00 179.45 180.46 1joq h LYS 134 N 0.98 0.00 -0.00 3.15 1.79 -1.06 -2.02 116.57 119.40 1joq h LYS 134 Ca 0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1joq h LYS 134 Cb 0.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1joq h LYS 134 CO -0.03 0.16 -0.54 0.39 -1.08 0.00 0.00 179.45 178.35 1joq n GLU 135 N -3.40 0.45 -3.83 3.15 -0.58 -0.47 -4.98 120.64 110.98 1joq n GLU 135 Ca -0.00 -0.31 -0.33 0.00 -0.42 0.00 0.00 57.16 56.10 1joq n GLU 135 Cb 0.35 -1.49 0.02 0.00 -0.57 0.00 0.00 31.44 29.74 1joq n GLU 135 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1joq n LYS 136 N -1.00 -0.98 -4.15 3.49 2.85 0.13 -4.93 118.16 113.57 1joq n LYS 136 Ca 0.08 0.50 -0.35 0.00 -1.05 0.00 0.00 58.31 57.49 1joq n LYS 136 Cb 0.36 -2.97 -0.13 0.00 -0.65 0.00 0.00 35.03 31.64 1joq n LYS 136 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1joq s LEU 137 N -6.12 3.06 0.00 -5.58 0.20 -1.21 -4.38 118.68 104.65 1joq s LEU 137 Ca 0.28 -0.27 0.00 0.00 0.69 0.00 0.00 54.13 54.82 1joq s LEU 137 Cb -0.13 -1.76 0.00 0.00 -0.43 0.00 0.00 46.19 43.86 1joq s LEU 137 CO 0.91 0.06 0.00 0.59 -0.29 0.00 0.00 176.35 177.62 1joq n ASN 138 N 4.25 0.00 -0.59 3.68 3.02 -1.26 -2.76 115.26 121.61 1joq n ASN 138 Ca -0.18 0.00 0.44 0.00 -0.03 0.00 0.00 54.58 54.82 1joq n ASN 138 Cb 0.52 0.00 0.68 0.00 -0.61 0.00 0.00 39.78 40.37 1joq n ASN 138 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1joq n ILE 139 N 0.00 -0.01 -0.77 2.41 -0.00 -1.25 1.00 119.36 120.75 1joq n ILE 139 Ca 0.00 1.24 -0.13 0.00 -0.00 0.00 0.00 62.75 63.87 1joq n ILE 139 Cb 0.00 -2.07 0.03 0.00 -0.00 0.00 0.00 39.64 37.60 1joq n ILE 139 CO 0.00 0.00 0.00 0.79 -0.00 0.00 0.00 176.55 177.34 1joq n TRP 140 N -3.61 1.19 -2.92 1.39 7.02 -1.11 -4.56 117.44 114.84 1joq n TRP 140 Ca 0.37 -1.72 -0.35 0.00 -1.02 0.00 0.00 57.50 54.78 1joq n TRP 140 Cb 1.67 -0.84 -0.02 0.00 -2.42 0.00 0.00 31.31 29.70 1joq n TRP 140 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1joq n SER 141 N 0.58 5.74 -2.62 -0.99 2.88 0.28 -3.40 113.62 116.08 1joq n SER 141 Ca 0.23 -3.61 -0.08 0.00 -1.33 0.00 0.00 58.87 54.08 1joq n SER 141 Cb 0.57 -0.91 0.06 0.00 -0.75 0.00 0.00 64.21 63.18 1joq n SER 141 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1joq n GLU 142 N 0.24 -0.85 -3.90 -1.46 -0.58 -1.26 -5.05 120.64 107.78 1joq n GLU 142 Ca 0.36 -0.52 -0.30 0.00 -0.42 0.00 0.00 57.16 56.28 1joq n GLU 142 Cb 0.34 -0.40 -0.16 0.00 -0.57 0.00 0.00 31.44 30.65 1joq n GLU 142 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1joq s ASP 143 N -2.31 3.85 0.00 1.62 2.15 -1.26 -5.00 116.67 115.72 1joq s ASP 143 Ca 0.20 -1.28 0.00 0.00 0.43 0.00 0.00 52.55 51.90 1joq s ASP 143 Cb -0.01 -1.11 0.00 0.00 -0.30 0.00 0.00 42.92 41.50 1joq s ASP 143 CO 0.14 -0.28 0.00 -3.20 -0.17 0.00 0.00 175.17 171.66 1joq n ASN 144 N 4.70 0.00 0.01 -0.34 5.15 -1.26 -5.12 115.26 118.40 1joq n ASN 144 Ca -0.09 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 1joq n ASN 144 Cb 0.44 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.69 1joq n ASN 144 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1joq n ALA 145 N -1.45 0.00 -0.33 5.20 0.00 -1.26 -5.14 120.51 117.52 1joq n ALA 145 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1joq n ALA 145 Cb 0.00 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.73 1joq n ALA 145 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1joq n ASP 146 N -1.97 -3.28 0.00 0.00 5.68 -1.26 -4.99 116.55 110.73 1joq n ASP 146 Ca 0.00 -0.60 0.00 0.00 -0.50 0.00 0.00 54.79 53.69 1joq n ASP 146 Cb 0.00 -1.08 0.00 0.00 -1.14 0.00 0.00 41.12 38.90 1joq n ASP 146 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1joq n SER 147 N -5.22 0.00 0.00 -1.12 2.88 -1.26 -5.05 113.62 103.84 1joq n SER 147 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1joq n SER 147 Cb 0.57 0.11 0.00 0.00 -0.75 0.00 0.00 64.21 64.14 1joq n SER 147 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1joq n GLY 148 N -0.78 2.32 0.00 0.46 0.00 -1.26 -5.12 105.19 100.81 1joq n GLY 148 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1joq n GLY 148 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14