#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 0.00 -2.45 0.00 5.66 -1.26 -4.46 114.28 111.77 1joq n THR 2 Ca 0.00 -0.22 -0.03 0.00 -3.05 0.00 0.00 64.05 60.75 1joq n THR 2 Cb 0.00 -0.20 -0.02 0.00 -1.55 0.00 0.00 70.33 68.56 1joq n THR 2 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1joq n SER 3 N 1.88 -5.16 -2.31 1.09 2.88 -1.26 -5.02 113.62 105.72 1joq n SER 3 Ca -0.00 1.61 0.00 0.00 -1.33 0.00 0.00 58.87 59.15 1joq n SER 3 Cb 0.65 -5.22 0.00 0.00 -0.75 0.00 0.00 64.21 58.89 1joq n SER 3 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1joq n THR 4 N 1.76 0.00 -3.01 2.46 -1.04 -1.26 -5.06 114.28 108.13 1joq n THR 4 Ca -0.20 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.65 1joq n THR 4 Cb 0.31 -1.84 -0.00 0.00 -1.82 0.00 0.00 70.33 66.98 1joq n THR 4 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1joq n LYS 5 N -0.41 0.87 -4.58 -2.82 2.85 -1.26 -5.10 118.16 107.70 1joq n LYS 5 Ca 0.00 -2.71 -0.25 0.00 -1.05 0.00 0.00 58.31 54.30 1joq n LYS 5 Cb 0.00 -1.38 -0.17 0.00 -0.65 0.00 0.00 35.03 32.84 1joq n LYS 5 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1joq s LYS 6 N -0.89 1.76 0.89 -1.58 2.20 -1.26 -5.14 119.74 115.73 1joq s LYS 6 Ca 0.33 -0.43 -0.15 0.00 -0.36 0.00 0.00 55.97 55.36 1joq s LYS 6 Cb 0.26 -1.46 0.22 0.00 -1.51 0.00 0.00 37.83 35.34 1joq s LYS 6 CO -0.12 0.02 0.75 1.28 -0.36 0.00 0.00 175.35 176.92 1joq n LEU 7 N 3.86 0.00 -4.52 5.43 4.77 -1.26 -5.05 117.00 120.23 1joq n LEU 7 Ca -0.22 -0.79 -0.28 0.00 -0.03 0.00 0.00 56.01 54.69 1joq n LEU 7 Cb 0.52 -0.70 -0.10 0.00 -2.33 0.00 0.00 43.42 40.80 1joq n LEU 7 CO 0.25 -1.91 -0.46 -1.38 -1.33 0.00 0.00 177.39 172.56 1joq s HIS 8 N -2.30 2.56 -0.19 -1.77 -3.43 -1.26 -5.12 115.29 103.78 1joq s HIS 8 Ca 0.49 -0.25 -0.02 0.00 -0.80 0.00 0.00 55.06 54.49 1joq s HIS 8 Cb -0.05 -1.30 -0.00 0.00 -1.43 0.00 0.00 32.58 29.79 1joq s HIS 8 CO 0.38 0.46 -0.10 0.15 -2.00 0.00 0.00 174.74 173.63 1joq s LYS 9 N -2.50 3.28 0.26 -0.38 1.02 -1.26 -4.47 119.74 115.69 1joq s LYS 9 Ca 0.21 -0.69 0.10 0.00 0.02 0.00 0.00 55.97 55.62 1joq s LYS 9 Cb -0.10 -2.83 -0.05 0.00 -0.52 0.00 0.00 37.83 34.34 1joq s LYS 9 CO 0.12 -0.13 -0.09 -1.21 -0.92 0.00 0.00 175.35 173.13 1joq s GLU 10 N 1.23 2.04 0.68 1.68 0.41 -0.86 -4.94 118.70 118.94 1joq s GLU 10 Ca 0.02 -1.53 -0.10 0.00 -0.41 0.00 0.00 54.97 52.95 1joq s GLU 10 Cb -0.14 -2.01 0.02 0.00 -1.78 0.00 0.00 34.13 30.21 1joq s GLU 10 CO -0.04 0.36 1.05 -1.25 -0.49 0.00 0.00 175.26 174.89 1joq s PRO 11 N -3.52 2.80 0.28 0.39 0.04 -1.26 -0.05 135.00 133.69 1joq s PRO 11 Ca 0.30 0.31 -0.05 0.00 0.04 0.00 0.00 61.00 61.60 1joq s PRO 11 Cb -0.06 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.42 1joq s PRO 11 CO 0.17 -0.99 0.46 0.00 0.04 0.00 0.00 177.00 176.68 1joq n ALA 12 N -2.92 -0.67 -3.78 8.56 0.00 -0.19 -4.65 120.51 116.85 1joq n ALA 12 Ca 0.06 -1.15 -0.28 0.00 0.00 0.00 0.00 53.44 52.07 1joq n ALA 12 Cb 0.58 0.92 -0.16 0.00 0.00 0.00 0.00 19.45 20.79 1joq n ALA 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1joq s THR 13 N -2.57 0.75 -0.52 0.00 2.01 -0.50 -4.68 115.64 110.13 1joq s THR 13 Ca 0.19 -0.76 -0.26 0.00 0.31 0.00 0.00 61.69 61.17 1joq s THR 13 Cb -0.02 -1.24 -0.06 0.00 0.01 0.00 0.00 72.50 71.20 1joq s THR 13 CO 0.13 -0.23 2.28 -0.22 -0.69 0.00 0.00 174.62 175.90 1joq s LEU 14 N 1.75 3.38 -0.15 4.42 1.98 -1.26 -1.26 118.68 127.54 1joq s LEU 14 Ca -0.01 0.90 -0.19 0.00 -2.89 0.00 0.00 54.13 51.94 1joq s LEU 14 Cb -0.17 -2.51 -0.16 0.00 0.66 0.00 0.00 46.19 44.01 1joq s LEU 14 CO -0.09 -2.78 0.38 0.40 -1.89 0.00 0.00 176.35 172.37 1joq h ILE 15 N 7.51 1.01 -1.89 6.68 2.04 -1.52 -3.48 117.51 127.86 1joq h ILE 15 Ca -0.24 -1.86 0.05 0.00 1.00 0.00 0.00 64.86 63.81 1joq h ILE 15 Cb 1.24 2.01 -0.22 0.00 -0.74 0.00 0.00 36.82 39.11 1joq h ILE 15 CO 1.17 0.34 0.06 -0.75 0.00 0.00 0.00 178.15 178.98 1joq s LYS 16 N -2.10 0.62 0.23 2.37 2.20 -1.03 -5.02 119.74 117.01 1joq s LYS 16 Ca -0.16 1.16 -0.28 0.00 -0.36 0.00 0.00 55.97 56.33 1joq s LYS 16 Cb 0.00 0.26 -0.09 0.00 -1.51 0.00 0.00 37.83 36.50 1joq s LYS 16 CO 0.46 -0.14 0.88 0.00 -0.36 0.00 0.00 175.35 176.19 1joq s ALA 17 N 1.83 3.36 0.00 3.13 0.00 -1.26 -1.59 121.76 127.23 1joq s ALA 17 Ca -0.09 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1joq s ALA 17 Cb -0.06 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1joq s ALA 17 CO -0.19 0.24 0.00 -0.89 0.00 0.00 0.00 175.76 174.92 1joq n ILE 18 N 1.38 0.00 -2.09 0.00 5.41 -0.50 -4.93 119.36 118.63 1joq n ILE 18 Ca -0.03 0.30 0.00 0.00 1.00 0.00 0.00 62.75 64.03 1joq n ILE 18 Cb 0.48 -1.28 0.00 0.00 -0.71 0.00 0.00 39.64 38.13 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 -2.33 0.11 0.10 4.38 -0.08 -0.90 -4.81 116.55 113.02 1joq n ASP 19 Ca 0.00 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.05 1joq n ASP 19 Cb 0.00 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.32 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 0.62 -4.71 0.27 0.00 -1.82 -3.35 103.07 94.08 1joq h GLY 20 Ca 0.00 -1.42 -0.64 0.00 0.00 0.00 0.00 47.33 45.27 1joq h GLY 20 CO 0.00 1.25 -0.24 1.22 0.00 0.00 0.00 176.54 178.77 1joq n ASP 21 N -3.83 5.46 -3.43 0.19 9.92 -1.26 -4.82 116.55 118.78 1joq n ASP 21 Ca -0.15 -3.75 0.01 0.00 -0.53 0.00 0.00 54.79 50.38 1joq n ASP 21 Cb 1.00 -0.63 -0.04 0.00 -0.64 0.00 0.00 41.12 40.81 1joq n ASP 21 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1joq s THR 22 N -5.35 -0.66 -0.18 -3.53 2.01 -1.25 -3.80 115.64 102.88 1joq s THR 22 Ca 0.49 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 62.41 1joq s THR 22 Cb 0.40 -1.00 0.07 0.00 0.01 0.00 0.00 72.50 71.98 1joq s THR 22 CO -0.24 0.00 0.41 0.68 -0.69 0.00 0.00 174.62 174.77 1joq s VAL 23 N 2.64 -0.23 -0.34 3.82 -7.23 -0.88 -1.41 120.40 116.78 1joq s VAL 23 Ca -0.02 0.12 -0.29 0.00 -1.81 0.00 0.00 61.98 59.99 1joq s VAL 23 Cb -0.09 -0.62 0.01 0.00 0.56 0.00 0.00 36.38 36.25 1joq s VAL 23 CO -0.18 0.05 1.15 -0.54 -0.31 0.00 0.00 175.10 175.28 1joq s LYS 24 N 1.81 3.97 0.20 4.82 1.02 -0.62 -2.05 119.74 128.89 1joq s LYS 24 Ca -0.07 1.04 0.08 0.00 0.02 0.00 0.00 55.97 57.05 1joq s LYS 24 Cb -0.10 -3.80 -0.05 0.00 -0.52 0.00 0.00 37.83 33.36 1joq s LYS 24 CO -0.13 -1.04 -0.16 -0.51 -0.92 0.00 0.00 175.35 172.59 1joq s LEU 25 N 3.99 2.52 -0.14 3.17 1.43 -0.95 -1.24 118.68 127.47 1joq s LEU 25 Ca 0.49 -0.97 -0.08 0.00 -1.03 0.00 0.00 54.13 52.53 1joq s LEU 25 Cb -0.13 -0.75 -0.04 0.00 0.03 0.00 0.00 46.19 45.30 1joq s LEU 25 CO 0.20 -0.11 0.16 -0.32 0.23 0.00 0.00 176.35 176.51 1joq s MET 26 N -3.37 3.70 -0.07 1.70 1.75 -0.39 -2.52 119.30 120.10 1joq s MET 26 Ca 0.21 -0.12 -0.02 0.00 -1.25 0.00 0.00 55.69 54.51 1joq s MET 26 Cb -0.03 -3.26 0.03 0.00 2.84 0.00 0.00 34.83 34.41 1joq s MET 26 CO 0.07 0.62 0.02 -0.47 -0.65 0.00 0.00 175.02 174.62 1joq s TYR 27 N -0.59 0.50 -1.17 4.11 6.14 -0.79 -1.41 117.35 124.15 1joq s TYR 27 Ca 0.14 -0.08 -0.04 0.00 0.64 0.00 0.00 57.07 57.72 1joq s TYR 27 Cb -0.12 -0.72 0.03 0.00 0.42 0.00 0.00 41.96 41.57 1joq s TYR 27 CO 0.03 -0.31 0.26 1.63 0.64 0.00 0.00 175.55 177.80 1joq n LYS 28 N 5.19 -2.96 -2.24 4.97 5.02 -1.26 0.16 118.16 127.05 1joq n LYS 28 Ca -0.06 0.56 -0.02 0.00 -2.02 0.00 0.00 58.31 56.76 1joq n LYS 28 Cb 0.50 -5.22 0.00 0.00 -0.02 0.00 0.00 35.03 30.29 1joq n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1joq n GLY 29 N -1.01 0.44 2.67 0.72 0.00 -1.26 -5.02 105.19 101.73 1joq n GLY 29 Ca -0.09 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 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 -4.46 0.56 -0.15 1.61 0.74 0.12 -5.10 119.66 112.99 1joq s GLN 30 Ca 0.02 -0.93 -0.29 0.00 0.05 0.00 0.00 55.36 54.20 1joq s GLN 30 Cb -0.01 -1.74 -0.02 0.00 1.10 0.00 0.00 33.01 32.35 1joq s GLN 30 CO 0.03 -1.00 1.31 -1.25 -0.55 0.00 0.00 175.29 173.82 1joq s PRO 31 N 1.73 4.23 0.13 1.67 0.04 -1.26 -1.88 135.00 139.66 1joq s PRO 31 Ca 0.10 1.72 -0.11 0.00 0.04 0.00 0.00 61.00 62.76 1joq s PRO 31 Cb -0.17 -3.78 0.00 0.00 0.04 0.00 0.00 34.50 30.59 1joq s PRO 31 CO -0.28 -0.72 0.29 1.41 0.04 0.00 0.00 177.00 177.74 1joq s MET 32 N 3.52 1.05 -0.45 4.56 1.75 -1.05 -5.01 119.30 123.68 1joq s MET 32 Ca 0.57 -1.00 -0.19 0.00 -1.25 0.00 0.00 55.69 53.82 1joq s MET 32 Cb -0.23 0.39 0.03 0.00 2.84 0.00 0.00 34.83 37.86 1joq s MET 32 CO 0.17 -0.38 0.56 0.99 -0.65 0.00 0.00 175.02 175.71 1joq s THR 33 N -3.90 4.93 0.28 10.11 2.01 -1.26 -2.23 115.64 125.58 1joq s THR 33 Ca 0.10 -0.19 -0.17 0.00 0.31 0.00 0.00 61.69 61.73 1joq s THR 33 Cb 0.03 -4.17 -0.09 0.00 0.01 0.00 0.00 72.50 68.29 1joq s THR 33 CO -0.06 -0.58 0.74 -0.36 -0.69 0.00 0.00 174.62 173.66 1joq s PHE 34 N 2.53 3.51 -0.06 4.92 0.40 -0.87 -2.07 117.98 126.34 1joq s PHE 34 Ca 0.17 1.31 0.02 0.00 -0.60 0.00 0.00 56.93 57.83 1joq s PHE 34 Cb -0.16 -2.58 0.01 0.00 0.51 0.00 0.00 43.02 40.80 1joq s PHE 34 CO 0.15 0.21 -0.11 0.50 0.70 0.00 0.00 175.22 176.68 1joq s ARG 35 N -2.49 1.46 0.19 0.44 3.52 -0.97 -2.08 118.95 119.03 1joq s ARG 35 Ca 0.49 -0.35 -0.33 0.00 -0.13 0.00 0.00 55.73 55.41 1joq s ARG 35 Cb -0.13 -1.25 -0.14 0.00 -1.56 0.00 0.00 34.95 31.87 1joq s ARG 35 CO 0.19 0.02 1.41 1.28 -0.81 0.00 0.00 175.30 177.39 1joq n LEU 36 N 3.78 2.71 -4.95 -0.88 4.77 -1.25 -4.23 117.00 116.95 1joq n LEU 36 Ca -0.23 1.12 -0.24 0.00 -0.03 0.00 0.00 56.01 56.64 1joq n LEU 36 Cb 0.52 -1.37 0.03 0.00 -2.33 0.00 0.00 43.42 40.27 1joq n LEU 36 CO 0.25 -0.62 0.41 -0.76 -1.33 0.00 0.00 177.39 175.34 1joq s LEU 37 N 0.43 3.33 -1.01 2.23 1.43 -1.26 -4.07 118.68 119.75 1joq s LEU 37 Ca 0.73 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 1joq s LEU 37 Cb -0.72 -3.15 0.00 0.00 0.03 0.00 0.00 46.19 42.35 1joq s LEU 37 CO 0.47 -1.04 0.00 0.18 0.23 0.00 0.00 176.35 176.19 1joq n LEU 38 N -2.39 -0.31 -4.20 1.79 7.99 -1.25 -4.89 117.00 113.74 1joq n LEU 38 Ca 0.05 0.24 -0.15 0.00 -0.01 0.00 0.00 56.01 56.13 1joq n LEU 38 Cb 0.59 -2.35 -0.08 0.00 -0.11 0.00 0.00 43.42 41.47 1joq n LEU 38 CO 0.49 -0.88 -0.09 0.68 -1.51 0.00 0.00 177.39 176.07 1joq s VAL 39 N -1.74 0.00 -0.16 4.08 -7.23 -1.20 -2.29 120.40 111.87 1joq s VAL 39 Ca 0.00 -1.89 -0.09 0.00 -1.81 0.00 0.00 61.98 58.20 1joq s VAL 39 Cb 0.00 -2.50 0.06 0.00 0.56 0.00 0.00 36.38 34.49 1joq s VAL 39 CO 0.00 0.00 0.39 -0.62 -0.31 0.00 0.00 175.10 174.56 1joq s ASP 40 N -3.25 -0.48 0.03 4.85 2.15 0.51 -4.39 116.67 116.09 1joq s ASP 40 Ca 0.37 0.84 -0.01 0.00 0.43 0.00 0.00 52.55 54.19 1joq s ASP 40 Cb 0.03 0.73 -0.04 0.00 -0.30 0.00 0.00 42.92 43.34 1joq s ASP 40 CO 0.20 -0.19 0.16 0.28 -0.17 0.00 0.00 175.17 175.44 1joq s THR 41 N 1.34 5.15 -0.70 1.71 -1.32 -1.26 -2.45 115.64 118.10 1joq s THR 41 Ca -0.09 -0.37 -0.27 0.00 -1.21 0.00 0.00 61.69 59.74 1joq s THR 41 Cb -0.08 -3.44 0.02 0.00 -1.51 0.00 0.00 72.50 67.48 1joq s THR 41 CO -0.12 0.24 1.41 -2.16 -2.21 0.00 0.00 174.62 171.79 1joq s PRO 42 N -2.15 3.07 0.97 7.08 0.04 -1.26 -5.00 135.00 137.75 1joq s PRO 42 Ca 0.29 -0.02 -0.15 0.00 0.04 0.00 0.00 61.00 61.16 1joq s PRO 42 Cb -0.13 -4.22 -0.05 0.00 0.04 0.00 0.00 34.50 30.14 1joq s PRO 42 CO 0.21 -2.27 -0.17 0.39 0.04 0.00 0.00 177.00 175.20 1joq n GLU 43 N 9.31 -0.15 -1.38 4.56 1.02 -1.26 -4.91 120.64 127.82 1joq n GLU 43 Ca 0.07 -0.02 -0.01 0.00 -0.02 0.00 0.00 57.16 57.18 1joq n GLU 43 Cb 0.50 -1.45 0.10 0.00 -0.02 0.00 0.00 31.44 30.58 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 -3.06 1.60 -0.69 2.62 -2.24 -1.26 -4.76 114.28 106.49 1joq n THR 44 Ca 0.03 -2.84 -0.06 0.00 -2.27 0.00 0.00 64.05 58.91 1joq n THR 44 Cb 0.55 0.08 0.25 0.00 -2.10 0.00 0.00 70.33 69.10 1joq n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1joq n LYS 45 N -0.56 3.19 -1.46 -0.78 4.76 -1.26 -4.94 118.16 117.10 1joq n LYS 45 Ca 0.19 -2.54 -0.47 0.00 -2.87 0.00 0.00 58.31 52.62 1joq n LYS 45 Cb 0.88 -2.06 -0.08 0.00 -1.84 0.00 0.00 35.03 31.93 1joq n LYS 45 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1joq n HIS 46 N -0.13 1.39 0.00 2.13 8.25 -1.26 -4.83 115.22 120.76 1joq n HIS 46 Ca 0.35 0.29 0.00 0.00 -0.26 0.00 0.00 57.72 58.10 1joq n HIS 46 Cb 1.24 -2.52 0.00 0.00 1.12 0.00 0.00 29.99 29.83 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 8.36 0.00 -1.86 -0.41 -0.04 -1.26 -3.22 135.00 136.57 1joq n PRO 47 Ca 0.45 0.41 -0.36 0.00 -0.04 0.00 0.00 63.50 63.96 1joq n PRO 47 Cb 0.24 -0.91 -0.02 0.00 -0.04 0.00 0.00 33.50 32.77 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 -1.79 4.03 0.00 0.54 0.00 -1.26 -3.98 118.16 115.70 1joq n LYS 48 Ca 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 58.31 55.14 1joq n LYS 48 Cb 0.00 -2.50 0.00 0.00 0.00 0.00 0.00 35.03 32.53 1joq n LYS 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1joq n LYS 49 N 1.49 0.00 0.00 1.64 4.81 -1.26 -5.16 118.16 119.67 1joq n LYS 49 Ca 0.59 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 1joq n LYS 49 Cb 0.33 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.38 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 -0.90 -1.79 3.06 3.14 0.00 -1.20 -4.98 105.19 102.53 1joq n GLY 50 Ca 0.00 -1.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.20 1joq n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1joq s VAL 51 N 0.00 0.02 0.00 1.61 1.01 -1.26 -4.50 120.40 117.27 1joq s VAL 51 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1joq s VAL 51 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 36.10 1joq s VAL 51 CO 0.00 -0.08 0.00 -1.84 0.00 0.00 0.00 175.10 173.18 1joq n GLU 52 N 2.65 0.00 -2.69 2.72 0.28 -1.26 -5.04 120.64 117.30 1joq n GLU 52 Ca -0.15 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 56.85 1joq n GLU 52 Cb 0.58 0.00 0.02 0.00 1.43 0.00 0.00 31.44 33.47 1joq n GLU 52 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1joq s LYS 53 N 0.00 0.11 -1.06 3.44 2.47 -1.26 -4.92 119.74 118.51 1joq s LYS 53 Ca 0.00 -0.07 0.00 0.00 -1.56 0.00 0.00 55.97 54.34 1joq s LYS 53 Cb 0.00 0.00 0.00 0.00 -1.46 0.00 0.00 37.83 36.37 1joq s LYS 53 CO 0.00 -0.14 0.00 0.66 0.16 0.00 0.00 175.35 176.03 1joq n TYR 54 N 3.14 0.00 0.01 4.03 4.01 -1.26 -4.92 117.16 122.17 1joq n TYR 54 Ca 0.08 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.81 1joq n TYR 54 Cb 0.65 -2.01 -0.00 0.00 -0.31 0.00 0.00 39.34 37.67 1joq n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1joq h GLY 55 N 0.00 -0.03 -1.24 2.72 0.00 -1.93 -3.26 103.07 99.34 1joq h GLY 55 Ca -0.21 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1joq h GLY 55 CO 0.30 -0.01 0.00 -1.55 0.00 0.00 0.00 176.54 175.28 1joq n PRO 56 N -2.11 1.53 -0.07 4.80 -0.04 -1.26 -4.08 135.00 133.77 1joq n PRO 56 Ca -0.00 -0.45 -0.13 0.00 -0.04 0.00 0.00 63.50 62.88 1joq n PRO 56 Cb 0.01 -1.54 -0.11 0.00 -0.04 0.00 0.00 33.50 31.82 1joq n PRO 56 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1joq h GLU 57 N 0.60 0.00 -0.01 0.54 3.07 -1.95 -3.16 114.58 113.67 1joq h GLU 57 Ca 0.00 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 58.61 1joq h GLU 57 Cb 0.64 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.56 1joq h GLU 57 CO 0.06 0.87 -1.01 0.00 -1.40 0.00 0.00 179.01 177.54 1joq h ALA 58 N -0.16 0.20 -0.35 3.43 0.00 -1.74 -2.47 119.26 118.17 1joq h ALA 58 Ca -0.02 -0.70 0.06 0.00 0.00 0.00 0.00 54.91 54.26 1joq h ALA 58 Cb 0.89 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 1joq h ALA 58 CO -0.01 0.72 -0.00 0.66 0.00 0.00 0.00 179.25 180.62 1joq h SER 59 N 0.36 -0.15 -0.34 0.00 4.64 -1.74 -2.00 113.55 114.31 1joq h SER 59 Ca -0.11 0.08 -0.16 0.00 -0.47 0.00 0.00 61.79 61.13 1joq h SER 59 Cb 1.65 0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.88 1joq h SER 59 CO 0.19 -0.04 -0.40 0.00 -0.87 0.00 0.00 176.83 175.72 1joq h ALA 60 N 1.31 0.60 -0.12 5.18 0.00 -1.61 -2.15 119.26 122.47 1joq h ALA 60 Ca 0.17 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.64 1joq h ALA 60 Cb 0.24 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1joq h ALA 60 CO -0.29 0.68 -0.21 0.35 0.00 0.00 0.00 179.25 179.77 1joq h PHE 61 N 0.73 -0.65 0.00 0.00 3.57 -0.88 0.62 116.94 120.34 1joq h PHE 61 Ca 0.06 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 1joq h PHE 61 Cb 0.98 0.30 -0.00 0.00 2.79 0.00 0.00 35.95 40.02 1joq h PHE 61 CO 0.06 -0.20 -0.08 1.15 -2.23 0.00 0.00 178.31 177.01 1joq h THR 62 N -0.18 1.03 0.00 4.41 2.02 -1.52 -1.48 112.91 117.19 1joq h THR 62 Ca 0.02 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1joq h THR 62 Cb 0.24 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1joq h THR 62 CO -0.21 0.08 0.00 1.17 0.37 0.00 0.00 175.52 176.94 1joq n LYS 63 N -4.39 0.00 0.24 6.66 4.81 0.13 -1.36 118.16 124.24 1joq n LYS 63 Ca -0.03 0.54 0.17 0.00 -0.87 0.00 0.00 58.31 58.12 1joq n LYS 63 Cb 0.16 -1.38 0.80 0.00 0.02 0.00 0.00 35.03 34.63 1joq n LYS 63 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1joq h LYS 64 N 0.00 0.00 0.00 1.64 1.57 -1.32 -2.00 116.57 116.46 1joq h LYS 64 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1joq h LYS 64 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1joq h LYS 64 CO 0.00 0.00 0.00 -0.12 -0.57 0.00 0.00 179.45 178.76 1joq n MET 65 N -2.71 0.00 0.28 3.15 1.56 -0.56 -1.57 117.12 117.28 1joq n MET 65 Ca -0.01 0.23 0.18 0.00 -0.27 0.00 0.00 57.70 57.83 1joq n MET 65 Cb 0.14 -1.06 0.96 0.00 2.15 0.00 0.00 33.22 35.42 1joq n MET 65 CO 0.00 0.00 0.00 -0.39 -0.73 0.00 0.00 175.97 174.85 1joq h VAL 66 N 0.00 0.28 -0.27 1.12 -1.51 -1.26 0.52 116.25 115.14 1joq h VAL 66 Ca 0.00 0.00 -0.12 0.00 -1.23 0.00 0.00 66.70 65.35 1joq h VAL 66 Cb 0.00 0.90 -0.01 0.00 -2.13 0.00 0.00 31.29 30.05 1joq h VAL 66 CO 0.00 0.00 -0.34 -0.33 -1.23 0.00 0.00 177.57 175.67 1joq h GLU 67 N 0.00 0.58 0.00 5.19 4.39 -1.35 -2.87 114.58 120.53 1joq h GLU 67 Ca 0.03 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1joq h GLU 67 Cb 0.26 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1joq h GLU 67 CO -0.00 0.85 -0.79 0.09 -1.16 0.00 0.00 179.01 178.00 1joq n ASN 68 N -4.06 0.64 -4.62 1.42 3.02 -0.02 -4.85 115.26 106.79 1joq n ASN 68 Ca -0.01 -0.34 -0.43 0.00 -0.03 0.00 0.00 54.58 53.77 1joq n ASN 68 Cb 0.48 0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 40.20 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 -3.09 3.09 0.34 5.41 0.00 -0.08 -4.84 121.76 122.59 1joq s ALA 69 Ca 0.07 0.59 0.08 0.00 0.00 0.00 0.00 51.96 52.71 1joq s ALA 69 Cb 0.16 -3.94 0.60 0.00 0.00 0.00 0.00 23.12 19.94 1joq s ALA 69 CO 0.77 -2.26 1.79 0.87 0.00 0.00 0.00 175.76 176.93 1joq h LYS 70 N 12.23 0.22 -4.07 0.00 1.57 -1.88 -3.42 116.57 121.21 1joq h LYS 70 Ca -0.37 -0.08 -0.39 0.00 -1.87 0.00 0.00 60.65 57.94 1joq h LYS 70 Cb 1.19 -0.01 -0.33 0.00 0.08 0.00 0.00 32.23 33.15 1joq h LYS 70 CO 0.99 0.50 -0.77 0.15 -0.57 0.00 0.00 179.45 179.76 1joq s LYS 71 N -4.37 0.70 -0.20 3.15 1.02 -1.26 -5.05 119.74 113.73 1joq s LYS 71 Ca -0.05 -0.11 0.01 0.00 0.02 0.00 0.00 55.97 55.84 1joq s LYS 71 Cb 0.14 -0.72 0.03 0.00 -0.52 0.00 0.00 37.83 36.75 1joq s LYS 71 CO 0.75 -0.04 -0.16 0.42 -0.92 0.00 0.00 175.35 175.40 1joq s ILE 72 N 0.71 2.28 -0.10 2.17 1.09 -1.26 -2.98 121.20 123.10 1joq s ILE 72 Ca -0.09 -1.03 0.02 0.00 -1.10 0.00 0.00 60.65 58.45 1joq s ILE 72 Cb -0.12 -2.05 0.01 0.00 -1.06 0.00 0.00 42.46 39.24 1joq s ILE 72 CO -0.00 0.40 -0.16 -1.61 -0.10 0.00 0.00 174.94 173.46 1joq s GLU 73 N 1.28 2.31 0.76 2.79 2.02 -0.93 -1.02 118.70 125.90 1joq s GLU 73 Ca 0.02 -0.60 -0.05 0.00 0.02 0.00 0.00 54.97 54.37 1joq s GLU 73 Cb -0.15 -1.91 0.13 0.00 0.10 0.00 0.00 34.13 32.30 1joq s GLU 73 CO -0.10 -0.02 1.05 0.14 0.02 0.00 0.00 175.26 176.36 1joq s VAL 74 N 0.85 2.15 -0.47 2.63 -7.23 0.93 -1.05 120.40 118.20 1joq s VAL 74 Ca -0.09 -0.44 0.06 0.00 -1.81 0.00 0.00 61.98 59.70 1joq s VAL 74 Cb -0.15 -2.71 0.18 0.00 0.56 0.00 0.00 36.38 34.25 1joq s VAL 74 CO 0.00 0.00 0.62 -0.70 -0.31 0.00 0.00 175.10 174.72 1joq s GLU 75 N -5.29 0.96 0.72 4.82 2.12 0.13 -2.02 118.70 120.14 1joq s GLU 75 Ca 0.67 -1.03 -0.16 0.00 0.36 0.00 0.00 54.97 54.80 1joq s GLU 75 Cb -0.06 -0.27 -0.02 0.00 0.26 0.00 0.00 34.13 34.04 1joq s GLU 75 CO 0.46 -1.30 0.65 1.19 -0.54 0.00 0.00 175.26 175.73 1joq n PHE 76 N 3.34 -0.38 -2.58 5.30 3.01 -1.26 -1.38 117.46 123.51 1joq n PHE 76 Ca 0.18 0.36 -0.24 0.00 1.01 0.00 0.00 57.45 58.76 1joq n PHE 76 Cb 0.54 -1.96 0.11 0.00 -0.01 0.00 0.00 39.48 38.16 1joq n PHE 76 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1joq s ASP 77 N -1.53 4.28 0.00 4.37 1.01 -1.26 -4.70 116.67 118.83 1joq s ASP 77 Ca 0.68 -0.38 0.19 0.00 0.71 0.00 0.00 52.55 53.74 1joq s ASP 77 Cb -0.35 0.04 0.97 0.00 1.01 0.00 0.00 42.92 44.59 1joq s ASP 77 CO 0.56 -1.91 1.56 2.29 0.21 0.00 0.00 175.17 177.87 1joq n LYS 78 N -2.87 0.32 0.00 8.23 0.00 -1.26 -4.67 118.16 117.91 1joq n LYS 78 Ca 0.15 0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.56 1joq n LYS 78 Cb 0.61 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 34.14 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 0.27 1.07 3.65 2.58 0.00 -1.26 -4.89 105.19 106.62 1joq n GLY 79 Ca 0.10 -1.49 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 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 0.80 -0.44 -0.00 1.61 -1.52 -1.26 -4.97 119.66 113.86 1joq s GLN 80 Ca 0.00 0.12 0.08 0.00 -1.95 0.00 0.00 55.36 53.61 1joq s GLN 80 Cb 0.00 -1.67 -0.11 0.00 -0.22 0.00 0.00 33.01 31.01 1joq s GLN 80 CO 0.00 -3.23 0.29 0.54 -0.25 0.00 0.00 175.29 172.64 1joq n ARG 81 N -4.45 2.63 -4.39 2.91 1.74 -1.26 -4.55 116.66 109.28 1joq n ARG 81 Ca 0.10 -0.03 -0.22 0.00 -0.77 0.00 0.00 57.85 56.93 1joq n ARG 81 Cb 0.59 -1.02 -0.08 0.00 -1.02 0.00 0.00 32.46 30.92 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 -2.11 0.34 0.00 0.55 -4.23 -1.26 -2.15 115.64 106.78 1joq s THR 82 Ca 0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 1joq s THR 82 Cb 0.06 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.46 1joq s THR 82 CO 0.35 0.00 0.00 -0.67 -0.54 0.00 0.00 174.62 173.76 1joq n ASP 83 N -1.25 1.36 0.21 3.99 2.03 -0.40 -4.77 116.55 117.72 1joq n ASP 83 Ca 0.00 -0.54 0.09 0.00 0.52 0.00 0.00 54.79 54.87 1joq n ASP 83 Cb 0.64 0.00 0.33 0.00 -0.72 0.00 0.00 41.12 41.37 1joq n ASP 83 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1joq h LYS 84 N 0.00 0.00 -0.45 -0.67 2.10 -2.03 -2.72 116.57 112.81 1joq h LYS 84 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1joq h LYS 84 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1joq h LYS 84 CO 0.00 0.23 0.00 0.66 -2.00 0.00 0.00 179.45 178.34 1joq n TYR 85 N -3.27 0.59 -1.68 0.07 4.01 -1.26 -4.90 117.16 110.72 1joq n TYR 85 Ca 0.01 -0.30 -0.03 0.00 -0.16 0.00 0.00 57.90 57.43 1joq n TYR 85 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.53 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 1.39 0.38 3.85 2.72 0.00 -1.02 -5.02 105.19 107.48 1joq n GLY 86 Ca 0.19 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.41 4.01 -0.41 1.61 0.52 -1.26 -4.72 118.95 115.29 1joq s ARG 87 Ca 0.00 0.69 -0.25 0.00 -0.52 0.00 0.00 55.73 55.65 1joq s ARG 87 Cb 0.00 -2.42 0.02 0.00 0.52 0.00 0.00 34.95 33.07 1joq s ARG 87 CO 0.00 0.15 0.89 0.20 0.02 0.00 0.00 175.30 176.56 1joq s GLY 88 N -2.27 1.54 -0.25 -3.53 0.00 -0.88 -1.28 107.32 100.65 1joq s GLY 88 Ca 0.54 -0.66 -0.14 0.00 0.00 0.00 0.00 44.72 44.46 1joq s GLY 88 CO 0.17 1.97 0.31 1.08 0.00 0.00 0.00 173.10 176.63 1joq s LEU 89 N 3.52 4.07 -0.25 0.66 1.43 -0.91 -2.28 118.68 124.92 1joq s LEU 89 Ca 0.36 0.25 -0.27 0.00 -1.03 0.00 0.00 54.13 53.45 1joq s LEU 89 Cb -0.11 -2.34 0.14 0.00 0.03 0.00 0.00 46.19 43.90 1joq s LEU 89 CO 0.22 -0.10 1.11 0.00 0.23 0.00 0.00 176.35 177.80 1joq s ALA 90 N 1.72 -2.01 -0.13 4.21 0.00 -1.26 -4.44 121.76 119.85 1joq s ALA 90 Ca 0.13 1.77 -0.29 0.00 0.00 0.00 0.00 51.96 53.57 1joq s ALA 90 Cb -0.15 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 1joq s ALA 90 CO 0.09 -0.23 1.55 0.71 0.00 0.00 0.00 175.76 177.87 1joq s TYR 91 N -0.23 2.22 0.19 0.00 2.02 -0.48 -4.56 117.35 116.52 1joq s TYR 91 Ca 0.03 0.48 -0.13 0.00 -0.37 0.00 0.00 57.07 57.08 1joq s TYR 91 Cb -0.04 -3.84 -0.07 0.00 -0.40 0.00 0.00 41.96 37.62 1joq s TYR 91 CO -0.06 -3.08 0.58 0.42 -1.57 0.00 0.00 175.55 171.84 1joq s ILE 92 N 4.23 4.84 0.00 2.71 1.01 -1.26 0.20 121.20 132.93 1joq s ILE 92 Ca 0.68 0.76 0.03 0.00 0.00 0.00 0.00 60.65 62.12 1joq s ILE 92 Cb -0.28 -3.70 -0.01 0.00 0.01 0.00 0.00 42.46 38.48 1joq s ILE 92 CO 0.26 0.11 -0.09 -0.31 0.00 0.00 0.00 174.94 174.90 1joq s TYR 93 N -1.62 0.81 -0.10 3.97 1.51 -0.22 -1.97 117.35 119.73 1joq s TYR 93 Ca 0.42 -0.19 0.01 0.00 -1.01 0.00 0.00 57.07 56.31 1joq s TYR 93 Cb -0.14 -0.51 0.02 0.00 -0.11 0.00 0.00 41.96 41.22 1joq s TYR 93 CO 0.20 -0.01 -0.12 0.00 -1.11 0.00 0.00 175.55 174.50 1joq s ALA 94 N -0.34 1.47 -1.49 3.71 0.00 -0.09 -2.19 121.76 122.83 1joq s ALA 94 Ca 0.02 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.38 1joq s ALA 94 Cb -0.04 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.29 1joq s ALA 94 CO -0.00 -0.14 0.14 -0.25 0.00 0.00 0.00 175.76 175.51 1joq n ASP 95 N 4.33 -5.31 -0.71 0.00 9.92 -1.16 -1.54 116.55 122.08 1joq n ASP 95 Ca -0.18 -0.08 -0.07 0.00 -0.53 0.00 0.00 54.79 53.93 1joq n ASP 95 Cb 0.51 -4.32 -0.01 0.00 -0.64 0.00 0.00 41.12 36.66 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 -1.13 0.26 3.35 0.44 0.00 -1.26 -5.03 105.19 101.83 1joq n GLY 96 Ca -0.18 -0.64 -0.19 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.97 1.35 -0.38 1.61 2.20 -0.59 -5.11 119.74 114.87 1joq s LYS 97 Ca 0.00 -1.62 -0.21 0.00 -0.36 0.00 0.00 55.97 53.78 1joq s LYS 97 Cb 0.00 -1.10 0.01 0.00 -1.51 0.00 0.00 37.83 35.23 1joq s LYS 97 CO 0.00 0.15 0.66 1.41 -0.36 0.00 0.00 175.35 177.22 1joq s MET 98 N -3.67 3.58 0.25 4.03 -2.45 -1.26 -0.92 119.30 118.87 1joq s MET 98 Ca 0.24 -0.02 -0.02 0.00 -1.25 0.00 0.00 55.69 54.63 1joq s MET 98 Cb 0.00 -3.85 0.32 0.00 1.25 0.00 0.00 34.83 32.55 1joq s MET 98 CO 0.07 -0.83 1.74 0.28 1.05 0.00 0.00 175.02 177.33 1joq h VAL 99 N 5.75 1.25 0.03 10.11 2.07 -1.74 -2.15 116.25 131.55 1joq h VAL 99 Ca -0.26 -1.04 0.02 0.00 0.82 0.00 0.00 66.70 66.24 1joq h VAL 99 Cb 1.10 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1joq h VAL 99 CO 0.86 0.36 -0.14 0.78 0.02 0.00 0.00 177.57 179.46 1joq h ASN 100 N 0.74 -0.39 0.31 0.57 4.21 -1.92 -0.40 115.58 118.70 1joq h ASN 100 Ca 0.14 0.05 -0.02 0.00 1.21 0.00 0.00 56.30 57.68 1joq h ASN 100 Cb 0.48 0.16 -0.00 0.00 -1.12 0.00 0.00 38.32 37.84 1joq h ASN 100 CO 0.02 -0.19 -0.10 -0.08 -1.29 0.00 0.00 177.43 175.79 1joq h GLU 101 N -0.24 0.00 0.62 0.81 4.81 -1.91 -2.60 114.58 116.07 1joq h GLU 101 Ca 0.04 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1joq h GLU 101 Cb 0.29 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.67 1joq h GLU 101 CO -0.11 0.10 -0.30 0.00 -0.73 0.00 0.00 179.01 177.97 1joq h ALA 102 N 1.90 -0.83 -0.60 2.92 0.00 -0.40 -0.61 119.26 121.63 1joq h ALA 102 Ca -0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1joq h ALA 102 Cb 0.28 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1joq h ALA 102 CO 0.01 -0.93 0.37 -0.07 0.00 0.00 0.00 179.25 178.63 1joq h LEU 103 N -0.91 0.72 -1.67 0.00 4.07 -1.28 -1.54 115.31 114.70 1joq h LEU 103 Ca -0.08 -0.05 0.07 0.00 0.08 0.00 0.00 57.88 57.90 1joq h LEU 103 Cb 0.66 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 42.19 1joq h LEU 103 CO 0.14 0.56 0.35 0.58 -1.08 0.00 0.00 178.44 178.98 1joq h VAL 104 N 0.81 0.94 -0.30 1.22 2.07 -1.33 -0.65 116.25 119.01 1joq h VAL 104 Ca 0.22 -0.13 -0.18 0.00 0.82 0.00 0.00 66.70 67.42 1joq h VAL 104 Cb -0.03 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1joq h VAL 104 CO -0.04 0.07 -0.52 0.03 0.02 0.00 0.00 177.57 177.13 1joq h ARG 105 N 0.39 0.86 0.00 1.57 3.08 -0.11 -2.56 114.38 117.61 1joq h ARG 105 Ca 0.23 -0.53 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1joq h ARG 105 Cb 0.41 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1joq h ARG 105 CO -0.06 1.17 0.00 0.94 -1.07 0.00 0.00 179.97 180.95 1joq n GLN 106 N -4.01 0.15 -2.73 0.04 -0.06 -0.41 -4.84 117.38 105.52 1joq n GLN 106 Ca -0.04 0.10 -0.08 0.00 -2.00 0.00 0.00 57.00 54.98 1joq n GLN 106 Cb 0.61 -1.50 0.02 0.00 -4.06 0.00 0.00 30.24 25.31 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 0.74 0.40 0.05 1.69 0.00 -0.39 -4.67 105.19 103.01 1joq n GLY 107 Ca 0.08 -0.41 -0.07 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.80 2.59 -4.75 0.99 4.77 -0.84 -3.61 117.00 114.35 1joq n LEU 108 Ca -0.01 -0.05 -0.35 0.00 -0.03 0.00 0.00 56.01 55.57 1joq n LEU 108 Cb 0.53 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 41.25 1joq n LEU 108 CO 0.19 0.61 -0.18 0.00 -1.33 0.00 0.00 177.39 176.68 1joq s ALA 109 N -2.20 3.71 -0.20 -1.18 0.00 -1.23 -4.73 121.76 115.92 1joq s ALA 109 Ca -0.13 -0.68 -0.09 0.00 0.00 0.00 0.00 51.96 51.06 1joq s ALA 109 Cb 0.03 -2.13 -0.05 0.00 0.00 0.00 0.00 23.12 20.98 1joq s ALA 109 CO 0.25 0.24 0.11 0.15 0.00 0.00 0.00 175.76 176.50 1joq s LYS 110 N 0.14 4.08 0.32 0.00 1.02 -1.03 -4.31 119.74 119.97 1joq s LYS 110 Ca 0.09 -0.28 -0.29 0.00 0.02 0.00 0.00 55.97 55.51 1joq s LYS 110 Cb -0.11 -3.36 -0.12 0.00 -0.52 0.00 0.00 37.83 33.72 1joq s LYS 110 CO -0.01 0.24 1.48 0.28 -0.92 0.00 0.00 175.35 176.42 1joq n VAL 111 N 3.67 1.50 -3.76 3.17 0.31 -1.26 -0.36 118.33 121.59 1joq n VAL 111 Ca -0.16 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.80 1joq n VAL 111 Cb 0.52 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 1joq n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1joq n ALA 112 N 1.24 -0.75 -3.11 3.52 0.00 -0.97 -4.78 120.51 115.66 1joq n ALA 112 Ca 0.06 -0.20 -0.12 0.00 0.00 0.00 0.00 53.44 53.18 1joq n ALA 112 Cb 0.36 0.07 0.01 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.20 -2.27 -3.36 0.00 4.01 -1.26 -3.24 117.16 110.85 1joq n TYR 113 Ca 0.00 0.96 -0.29 0.00 -0.16 0.00 0.00 57.90 58.41 1joq n TYR 113 Cb 0.13 -2.45 -0.07 0.00 -0.31 0.00 0.00 39.34 36.65 1joq n TYR 113 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1joq n VAL 114 N 0.48 2.83 -3.15 -0.72 0.31 -1.26 -3.92 118.33 112.90 1joq n VAL 114 Ca -0.00 -5.34 -0.42 0.00 -0.01 0.00 0.00 64.34 58.57 1joq n VAL 114 Cb 0.43 -2.10 -0.07 0.00 -0.91 0.00 0.00 33.84 31.19 1joq n VAL 114 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1joq s TYR 115 N -2.53 3.14 0.71 3.52 2.02 -1.26 -4.98 117.35 117.97 1joq s TYR 115 Ca 0.38 0.18 -0.13 0.00 -0.37 0.00 0.00 57.07 57.14 1joq s TYR 115 Cb 0.13 -3.13 0.03 0.00 -0.40 0.00 0.00 41.96 38.59 1joq s TYR 115 CO 0.01 -0.67 1.10 0.15 -1.57 0.00 0.00 175.55 174.57 1joq s LYS 116 N 2.64 2.56 -0.06 -0.62 1.02 -1.26 -0.64 119.74 123.37 1joq s LYS 116 Ca 0.22 1.27 0.03 0.00 0.02 0.00 0.00 55.97 57.51 1joq s LYS 116 Cb -0.15 -1.93 0.19 0.00 -0.52 0.00 0.00 37.83 35.42 1joq s LYS 116 CO 0.15 -1.42 0.85 -0.35 -0.92 0.00 0.00 175.35 173.66 1joq n PRO 117 N -2.94 1.83 -2.33 -1.68 -0.04 -1.26 -4.98 135.00 123.60 1joq n PRO 117 Ca 0.10 -0.73 -0.43 0.00 -0.04 0.00 0.00 63.50 62.39 1joq n PRO 117 Cb 0.52 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 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 0.14 4.72 -1.84 3.54 3.02 0.19 -4.06 115.26 120.96 1joq n ASN 118 Ca 0.08 -2.96 -0.04 0.00 -0.03 0.00 0.00 54.58 51.63 1joq n ASN 118 Cb 0.52 -1.61 0.03 0.00 -0.61 0.00 0.00 39.78 38.10 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 5.95 -1.04 0.18 6.41 6.94 -1.26 -4.19 115.26 128.25 1joq n ASN 119 Ca 0.45 -2.10 0.13 0.00 -0.02 0.00 0.00 54.58 53.04 1joq n ASN 119 Cb 0.41 0.43 0.64 0.00 -2.36 0.00 0.00 39.78 38.89 1joq n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 1joq h THR 120 N 4.64 0.00 -0.47 5.53 2.02 -1.98 -2.35 112.91 120.31 1joq h THR 120 Ca -0.49 -0.13 -0.34 0.00 0.77 0.00 0.00 66.41 66.22 1joq h THR 120 Cb 1.37 0.80 -0.26 0.00 -1.74 0.00 0.00 68.15 68.32 1joq h THR 120 CO -0.21 0.00 -0.67 1.41 0.37 0.00 0.00 175.52 176.42 1joq n HIS 121 N -2.43 1.71 0.10 3.16 8.25 -1.26 -4.72 115.22 120.03 1joq n HIS 121 Ca -0.00 -1.95 -0.23 0.00 -0.26 0.00 0.00 57.72 55.27 1joq n HIS 121 Cb 0.13 -0.32 -0.15 0.00 1.12 0.00 0.00 29.99 30.77 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 1.72 0.44 0.37 -0.41 4.57 -1.81 -2.80 114.58 116.65 1joq h GLU 122 Ca 0.23 -0.75 -0.02 0.00 -1.18 0.00 0.00 59.36 57.65 1joq h GLU 122 Cb 1.34 0.28 0.00 0.00 -0.16 0.00 0.00 28.75 30.21 1joq h GLU 122 CO 0.48 1.36 -0.18 1.96 -1.18 0.00 0.00 179.01 181.45 1joq h GLN 123 N 0.01 -0.48 0.55 1.92 4.20 -1.84 -0.75 115.11 118.72 1joq h GLN 123 Ca -0.27 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.45 1joq h GLN 123 Cb 2.03 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 29.90 1joq h GLN 123 CO 0.21 -0.18 -0.44 1.25 -0.67 0.00 0.00 178.83 179.00 1joq h LEU 124 N -0.77 -1.16 -2.15 1.46 5.85 -1.89 0.19 115.31 116.83 1joq h LEU 124 Ca -0.05 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.77 1joq h LEU 124 Cb 0.52 0.37 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 1joq h LEU 124 CO 0.08 -0.63 0.29 -0.07 -0.34 0.00 0.00 178.44 177.78 1joq h LEU 125 N -0.97 0.00 0.24 2.25 3.38 -1.55 -1.90 115.31 116.77 1joq h LEU 125 Ca -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1joq h LEU 125 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1joq h LEU 125 CO 0.00 0.00 -0.12 0.03 0.09 0.00 0.00 178.44 178.44 1joq h ARG 126 N 0.00 -0.32 -0.65 1.13 2.47 0.60 -1.50 114.38 116.11 1joq h ARG 126 Ca 0.03 0.02 0.14 0.00 -1.26 0.00 0.00 59.98 58.92 1joq h ARG 126 Cb 0.61 0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.97 1joq h ARG 126 CO -0.00 -0.21 0.44 1.57 0.56 0.00 0.00 179.97 182.33 1joq h LYS 127 N -0.56 0.26 -0.31 0.04 2.10 -1.03 -0.71 116.57 116.37 1joq h LYS 127 Ca -0.03 -0.02 -0.05 0.00 -2.00 0.00 0.00 60.65 58.56 1joq h LYS 127 Cb 0.25 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.51 1joq h LYS 127 CO 0.06 0.17 0.02 0.77 -2.00 0.00 0.00 179.45 178.46 1joq h SER 128 N 0.27 0.52 -0.56 7.07 0.02 -1.36 -2.53 113.55 116.98 1joq h SER 128 Ca 0.31 -0.29 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1joq h SER 128 Cb 0.86 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.23 1joq h SER 128 CO -0.07 0.69 0.29 -0.08 -1.14 0.00 0.00 176.83 176.51 1joq h GLU 129 N 0.34 0.82 -0.48 3.45 4.57 -0.05 -2.21 114.58 121.03 1joq h GLU 129 Ca 0.09 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1joq h GLU 129 Cb 0.41 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 1joq h GLU 129 CO 0.01 0.63 0.27 0.00 -1.18 0.00 0.00 179.01 178.74 1joq h ALA 130 N 1.49 0.61 -0.12 2.92 0.00 -1.12 -1.21 119.26 121.84 1joq h ALA 130 Ca 0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1joq h ALA 130 Cb 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1joq h ALA 130 CO -0.03 0.13 -0.01 0.37 0.00 0.00 0.00 179.25 179.71 1joq h GLN 131 N 0.64 0.16 -0.17 0.00 4.15 -1.00 -0.84 115.11 118.04 1joq h GLN 131 Ca 0.17 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.46 1joq h GLN 131 Cb 0.04 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 1joq h GLN 131 CO -0.03 0.20 -0.35 0.00 -1.93 0.00 0.00 178.83 176.71 1joq h ALA 132 N 1.83 1.07 0.50 3.38 0.00 -0.67 -0.34 119.26 125.03 1joq h ALA 132 Ca 0.04 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1joq h ALA 132 Cb 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1joq h ALA 132 CO 0.00 0.58 -0.24 0.87 0.00 0.00 0.00 179.25 180.47 1joq h LYS 133 N 0.31 -0.64 0.00 0.00 1.57 -0.35 -1.83 116.57 115.63 1joq h LYS 133 Ca 0.04 0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1joq h LYS 133 Cb 0.77 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.23 1joq h LYS 133 CO 0.06 -0.34 -0.07 0.87 -0.57 0.00 0.00 179.45 179.40 1joq h LYS 134 N -0.90 0.00 -0.01 3.15 1.57 -1.46 -1.50 116.57 117.41 1joq h LYS 134 Ca -0.07 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.59 1joq h LYS 134 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 1joq h LYS 134 CO 0.11 0.07 -0.56 0.93 -0.57 0.00 0.00 179.45 179.43 1joq h GLU 135 N 0.00 0.03 -5.64 3.15 5.08 -0.69 -3.47 114.58 113.03 1joq h GLU 135 Ca -0.00 -0.02 -0.28 0.00 -1.00 0.00 0.00 59.36 58.06 1joq h GLU 135 Cb 0.27 0.00 0.16 0.00 0.50 0.00 0.00 28.75 29.67 1joq h GLU 135 CO 0.01 0.58 -0.81 1.63 -1.00 0.00 0.00 179.01 179.42 1joq n LYS 136 N -3.88 -1.92 -4.23 2.33 5.02 -0.57 -4.88 118.16 110.04 1joq n LYS 136 Ca -0.01 0.82 -0.34 0.00 -2.02 0.00 0.00 58.31 56.75 1joq n LYS 136 Cb 0.57 -5.38 -0.12 0.00 -0.02 0.00 0.00 35.03 30.07 1joq n LYS 136 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1joq s LEU 137 N -5.53 3.24 0.00 -0.35 0.20 -1.26 -3.32 118.68 111.66 1joq s LEU 137 Ca 0.42 -0.17 0.00 0.00 0.69 0.00 0.00 54.13 55.07 1joq s LEU 137 Cb -0.08 -1.80 0.00 0.00 -0.43 0.00 0.00 46.19 43.88 1joq s LEU 137 CO 0.77 0.11 0.00 0.59 -0.29 0.00 0.00 176.35 177.53 1joq n ASN 138 N 3.91 0.00 0.05 3.68 3.02 -1.26 -1.65 115.26 123.00 1joq n ASN 138 Ca -0.17 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.32 1joq n ASN 138 Cb 0.52 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.66 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 -1.91 0.45 117.51 120.49 1joq h ILE 139 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1joq h ILE 139 Cb 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 1joq h ILE 139 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 178.15 178.94 1joq n TRP 140 N -3.47 0.00 1.48 1.37 7.02 -0.66 -2.02 117.44 121.16 1joq n TRP 140 Ca -0.03 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.59 1joq n TRP 140 Cb 0.14 -0.25 0.53 0.00 -2.42 0.00 0.00 31.31 29.32 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 -1.25 1.22 0.00 -0.99 2.88 0.08 -4.09 113.62 111.47 1joq n SER 141 Ca 0.08 -1.27 -0.13 0.00 -1.33 0.00 0.00 58.87 56.22 1joq n SER 141 Cb 0.12 0.02 -0.10 0.00 -0.75 0.00 0.00 64.21 63.50 1joq n SER 141 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1joq h GLU 142 N 1.82 -0.06 -6.27 -1.46 5.08 -0.76 -3.45 114.58 109.47 1joq h GLU 142 Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 1joq h GLU 142 Cb 0.45 0.01 0.16 0.00 0.50 0.00 0.00 28.75 29.88 1joq h GLU 142 CO 0.00 0.46 -0.61 -0.25 -1.00 0.00 0.00 179.01 177.61 1joq n ASP 143 N -4.86 -1.69 -2.65 1.42 8.00 -1.26 -3.98 116.55 111.54 1joq n ASP 143 Ca -0.09 0.80 -0.01 0.00 0.71 0.00 0.00 54.79 56.21 1joq n ASP 143 Cb 0.28 -1.05 -0.01 0.00 -0.02 0.00 0.00 41.12 40.32 1joq n ASP 143 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1joq n ASN 144 N 1.42 -6.78 -2.71 -2.24 5.15 -1.26 -4.96 115.26 103.88 1joq n ASN 144 Ca 0.11 1.37 -0.25 0.00 -0.60 0.00 0.00 54.58 55.21 1joq n ASN 144 Cb 0.43 -5.17 -0.01 0.00 -0.53 0.00 0.00 39.78 34.50 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 0.81 4.59 -1.40 5.20 0.00 -1.26 -5.08 120.51 123.38 1joq n ALA 145 Ca -0.06 -4.31 0.18 0.00 0.00 0.00 0.00 53.44 49.25 1joq n ALA 145 Cb 0.09 -0.67 -0.08 0.00 0.00 0.00 0.00 19.45 18.79 1joq n ALA 145 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1joq n ASP 146 N -0.31 -8.07 -3.18 0.00 8.00 -1.26 -4.83 116.55 106.90 1joq n ASP 146 Ca 0.33 1.17 -0.23 0.00 0.71 0.00 0.00 54.79 56.76 1joq n ASP 146 Cb 0.57 -4.64 -0.06 0.00 -0.02 0.00 0.00 41.12 36.97 1joq n ASP 146 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1joq n SER 147 N -4.26 0.18 0.00 -2.24 7.64 -1.26 -5.10 113.62 108.57 1joq n SER 147 Ca -0.06 -2.73 0.00 0.00 1.01 0.00 0.00 58.87 57.09 1joq n SER 147 Cb 0.66 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1joq n SER 147 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1joq n GLY 148 N 1.31 -1.77 0.00 0.23 0.00 -1.26 -5.34 105.19 98.36 1joq n GLY 148 Ca 0.21 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1joq n GLY 148 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14