#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1joq s THR 2 N 0.00 -0.14 0.07 0.00 -1.32 -1.26 -5.18 115.64 107.82 1joq s THR 2 Ca 0.00 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.49 1joq s THR 2 Cb 0.00 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.00 1joq s THR 2 CO 0.00 0.00 0.06 -1.20 -2.21 0.00 0.00 174.62 171.27 1joq n SER 3 N 4.16 0.90 -0.99 8.08 7.64 -1.26 -5.01 113.62 127.15 1joq n SER 3 Ca -0.17 -1.21 0.10 0.00 1.01 0.00 0.00 58.87 58.59 1joq n SER 3 Cb 0.57 -0.02 0.27 0.00 -1.01 0.00 0.00 64.21 64.01 1joq n SER 3 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1joq n THR 4 N -0.82 0.57 -2.27 0.44 -2.24 -1.26 -4.85 114.28 103.86 1joq n THR 4 Ca 0.00 -0.68 -0.41 0.00 -2.27 0.00 0.00 64.05 60.70 1joq n THR 4 Cb 0.07 0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 68.84 1joq n THR 4 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1joq s LYS 5 N -1.43 3.06 0.01 -0.78 3.01 -1.26 -4.52 119.74 117.83 1joq s LYS 5 Ca 0.37 0.47 0.00 0.00 -1.01 0.00 0.00 55.97 55.81 1joq s LYS 5 Cb 0.20 -4.23 0.00 0.00 -1.01 0.00 0.00 37.83 32.80 1joq s LYS 5 CO 0.28 -2.23 0.00 1.63 0.51 0.00 0.00 175.35 175.54 1joq n LYS 6 N 8.93 0.00 -0.24 1.68 5.02 -1.26 -5.14 118.16 127.16 1joq n LYS 6 Ca 0.14 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.41 1joq n LYS 6 Cb 0.50 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.53 1joq n LYS 6 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1joq n LEU 7 N -2.52 0.00 -4.41 -0.35 4.77 -1.26 -5.06 117.00 108.17 1joq n LEU 7 Ca 0.00 -0.14 -0.33 0.00 -0.03 0.00 0.00 56.01 55.51 1joq n LEU 7 Cb 0.00 -0.09 -0.14 0.00 -2.33 0.00 0.00 43.42 40.86 1joq n LEU 7 CO 0.00 -0.58 -0.44 -1.38 -1.33 0.00 0.00 177.39 173.66 1joq s HIS 8 N -1.15 2.81 -0.08 -1.77 -3.43 -1.26 -5.11 115.29 105.29 1joq s HIS 8 Ca 0.07 -0.49 0.02 0.00 -0.80 0.00 0.00 55.06 53.86 1joq s HIS 8 Cb -0.00 -1.80 -0.02 0.00 -1.43 0.00 0.00 32.58 29.33 1joq s HIS 8 CO 0.05 -0.09 -0.13 0.15 -2.00 0.00 0.00 174.74 172.72 1joq s LYS 9 N 0.06 2.84 0.29 -0.38 1.02 -1.26 -3.99 119.74 118.32 1joq s LYS 9 Ca -0.05 -0.68 0.10 0.00 0.02 0.00 0.00 55.97 55.36 1joq s LYS 9 Cb -0.14 -2.49 -0.05 0.00 -0.52 0.00 0.00 37.83 34.62 1joq s LYS 9 CO 0.04 0.48 -0.14 -1.21 -0.92 0.00 0.00 175.35 173.60 1joq s GLU 10 N -0.34 1.64 0.85 1.68 2.02 -0.24 -4.92 118.70 119.39 1joq s GLU 10 Ca 0.03 -1.79 -0.12 0.00 0.02 0.00 0.00 54.97 53.12 1joq s GLU 10 Cb -0.13 -1.53 0.10 0.00 0.10 0.00 0.00 34.13 32.67 1joq s GLU 10 CO 0.02 0.20 1.14 -1.25 0.02 0.00 0.00 175.26 175.39 1joq s PRO 11 N -3.60 1.64 0.00 0.39 0.04 -1.26 0.03 135.00 132.24 1joq s PRO 11 Ca 0.29 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.65 1joq s PRO 11 Cb -0.01 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1joq s PRO 11 CO 0.13 -1.86 0.00 0.00 0.04 0.00 0.00 177.00 175.32 1joq n ALA 12 N -3.54 0.00 -2.61 8.56 0.00 -0.16 -4.68 120.51 118.09 1joq n ALA 12 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.30 1joq n ALA 12 Cb 0.59 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.89 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 -2.72 0.97 -0.65 0.00 2.01 -0.29 -4.77 115.64 110.19 1joq s THR 13 Ca 0.00 -0.55 -0.24 0.00 0.31 0.00 0.00 61.69 61.21 1joq s THR 13 Cb 0.00 -0.81 0.05 0.00 0.01 0.00 0.00 72.50 71.75 1joq s THR 13 CO 0.00 0.26 1.04 -0.22 -0.69 0.00 0.00 174.62 175.01 1joq s LEU 14 N -0.34 4.00 -0.07 4.42 1.98 -1.26 -1.15 118.68 126.26 1joq s LEU 14 Ca 0.04 -0.67 -0.03 0.00 -2.89 0.00 0.00 54.13 50.58 1joq s LEU 14 Cb -0.05 -2.58 -0.01 0.00 0.66 0.00 0.00 46.19 44.22 1joq s LEU 14 CO -0.00 -1.49 -0.05 0.40 -1.89 0.00 0.00 176.35 173.32 1joq h ILE 15 N 6.00 0.00 -1.33 6.68 2.04 -1.46 -3.48 117.51 125.96 1joq h ILE 15 Ca -0.28 -0.61 0.14 0.00 1.00 0.00 0.00 64.86 65.11 1joq h ILE 15 Cb 1.07 0.00 -0.24 0.00 -0.74 0.00 0.00 36.82 36.91 1joq h ILE 15 CO 1.18 0.00 0.19 -1.59 0.00 0.00 0.00 178.15 177.93 1joq s LYS 16 N -1.54 0.38 0.01 2.37 -2.85 -1.01 -5.00 119.74 112.09 1joq s LYS 16 Ca -0.04 0.86 -0.30 0.00 -1.00 0.00 0.00 55.97 55.49 1joq s LYS 16 Cb 0.01 0.42 -0.04 0.00 -2.06 0.00 0.00 37.83 36.16 1joq s LYS 16 CO 0.06 -0.11 1.09 0.00 0.10 0.00 0.00 175.35 176.49 1joq s ALA 17 N 2.25 3.30 -0.23 0.59 0.00 -1.26 -1.68 121.76 124.73 1joq s ALA 17 Ca -0.05 0.67 -0.09 0.00 0.00 0.00 0.00 51.96 52.49 1joq s ALA 17 Cb -0.06 -3.41 -0.17 0.00 0.00 0.00 0.00 23.12 19.48 1joq s ALA 17 CO -0.17 -0.39 -0.09 -0.89 0.00 0.00 0.00 175.76 174.22 1joq n ILE 18 N 4.02 1.56 -2.33 0.00 5.41 -0.70 -4.94 119.36 122.38 1joq n ILE 18 Ca 0.08 -0.43 0.00 0.00 1.00 0.00 0.00 62.75 63.40 1joq n ILE 18 Cb 0.48 -1.74 0.00 0.00 -0.71 0.00 0.00 39.64 37.68 1joq n ILE 18 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1joq n ASP 19 N -3.84 0.01 -0.05 4.38 8.00 -0.73 -4.98 116.55 119.35 1joq n ASP 19 Ca -0.44 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 54.99 1joq n ASP 19 Cb 0.91 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.95 1joq n ASP 19 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1joq h GLY 20 N 0.00 -0.02 -3.69 0.44 0.00 -1.83 -3.34 103.07 94.63 1joq h GLY 20 Ca 0.00 0.01 -0.30 0.00 0.00 0.00 0.00 47.33 47.04 1joq h GLY 20 CO 0.00 -0.01 0.38 1.22 0.00 0.00 0.00 176.54 178.13 1joq n ASP 21 N -4.72 4.38 -3.78 0.19 8.00 -1.26 -4.73 116.55 114.63 1joq n ASP 21 Ca -0.05 -3.26 -0.22 0.00 0.71 0.00 0.00 54.79 51.97 1joq n ASP 21 Cb 0.22 -0.76 -0.17 0.00 -0.02 0.00 0.00 41.12 40.38 1joq n ASP 21 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1joq s THR 22 N -2.92 0.37 -0.18 -3.53 2.01 -1.25 -2.28 115.64 107.85 1joq s THR 22 Ca 0.53 0.11 -0.09 0.00 0.31 0.00 0.00 61.69 62.54 1joq s THR 22 Cb 0.43 -0.52 0.07 0.00 0.01 0.00 0.00 72.50 72.49 1joq s THR 22 CO 0.12 0.25 0.42 0.68 -0.69 0.00 0.00 174.62 175.40 1joq s VAL 23 N 1.84 -0.15 -0.16 3.82 -7.23 -0.95 -1.72 120.40 115.85 1joq s VAL 23 Ca 0.03 0.11 -0.27 0.00 -1.81 0.00 0.00 61.98 60.03 1joq s VAL 23 Cb -0.12 -0.64 -0.01 0.00 0.56 0.00 0.00 36.38 36.17 1joq s VAL 23 CO -0.05 0.04 0.93 -0.54 -0.31 0.00 0.00 175.10 175.18 1joq s LYS 24 N 1.65 4.33 0.05 4.82 -0.14 -0.67 -1.75 119.74 128.02 1joq s LYS 24 Ca -0.08 1.21 0.05 0.00 -1.36 0.00 0.00 55.97 55.79 1joq s LYS 24 Cb -0.09 -3.58 -0.02 0.00 -1.68 0.00 0.00 37.83 32.46 1joq s LYS 24 CO -0.13 -0.39 -0.14 -0.51 -0.76 0.00 0.00 175.35 173.42 1joq s LEU 25 N 2.34 2.20 -0.03 3.17 1.43 -1.02 -1.11 118.68 125.66 1joq s LEU 25 Ca 0.43 -0.50 -0.23 0.00 -1.03 0.00 0.00 54.13 52.80 1joq s LEU 25 Cb -0.17 -0.57 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 1joq s LEU 25 CO 0.13 0.00 0.69 -0.32 0.23 0.00 0.00 176.35 177.08 1joq s MET 26 N -1.30 4.42 -0.14 1.70 1.75 -0.30 -1.97 119.30 123.46 1joq s MET 26 Ca 0.00 0.89 0.00 0.00 -1.25 0.00 0.00 55.69 55.33 1joq s MET 26 Cb -0.08 -3.40 0.02 0.00 2.84 0.00 0.00 34.83 34.21 1joq s MET 26 CO 0.02 0.18 -0.12 -0.47 -0.65 0.00 0.00 175.02 173.98 1joq s TYR 27 N 0.39 1.96 -0.75 4.11 5.04 -0.51 -1.14 117.35 126.43 1joq s TYR 27 Ca 0.36 -1.09 -0.01 0.00 -2.44 0.00 0.00 57.07 53.90 1joq s TYR 27 Cb -0.18 -1.48 0.00 0.00 0.35 0.00 0.00 41.96 40.65 1joq s TYR 27 CO 0.19 -0.62 0.02 1.63 -1.34 0.00 0.00 175.55 175.43 1joq n LYS 28 N 4.82 -2.50 -1.69 4.97 4.01 -1.26 -0.07 118.16 126.44 1joq n LYS 28 Ca -0.15 0.41 0.00 0.00 -0.51 0.00 0.00 58.31 58.06 1joq n LYS 28 Cb 0.50 -4.99 0.00 0.00 -0.51 0.00 0.00 35.03 30.03 1joq n LYS 28 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1joq n GLY 29 N -0.73 0.94 2.84 0.72 0.00 -1.26 -5.05 105.19 102.65 1joq n GLY 29 Ca -0.10 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 1joq n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1joq s GLN 30 N -3.45 0.55 -0.25 1.61 2.00 0.90 -5.11 119.66 115.90 1joq s GLN 30 Ca 0.00 -0.45 -0.29 0.00 -2.00 0.00 0.00 55.36 52.62 1joq s GLN 30 Cb 0.00 -0.54 -0.01 0.00 0.80 0.00 0.00 33.01 33.26 1joq s GLN 30 CO 0.00 -1.13 1.40 -1.25 -0.50 0.00 0.00 175.29 173.81 1joq s PRO 31 N 1.89 3.94 0.11 1.67 0.04 -1.26 -1.43 135.00 139.97 1joq s PRO 31 Ca 0.14 1.47 0.04 0.00 0.04 0.00 0.00 61.00 62.68 1joq s PRO 31 Cb -0.13 -3.91 -0.04 0.00 0.04 0.00 0.00 34.50 30.46 1joq s PRO 31 CO -0.15 -1.10 -0.10 -1.64 0.04 0.00 0.00 177.00 174.05 1joq s MET 32 N 4.21 0.90 -0.40 4.56 -1.94 -0.83 -4.90 119.30 120.90 1joq s MET 32 Ca 0.61 -1.26 -0.29 0.00 -1.71 0.00 0.00 55.69 53.04 1joq s MET 32 Cb -0.20 -0.51 0.02 0.00 2.01 0.00 0.00 34.83 36.14 1joq s MET 32 CO 0.24 0.07 1.24 0.99 -0.01 0.00 0.00 175.02 177.54 1joq s THR 33 N -2.83 4.15 -0.06 2.05 2.01 -1.26 -2.43 115.64 117.28 1joq s THR 33 Ca 0.09 1.24 -0.14 0.00 0.31 0.00 0.00 61.69 63.19 1joq s THR 33 Cb -0.00 -4.37 -0.05 0.00 0.01 0.00 0.00 72.50 68.09 1joq s THR 33 CO -0.00 -0.74 0.36 -0.36 -0.69 0.00 0.00 174.62 173.19 1joq s PHE 34 N 4.58 3.64 -0.08 4.92 0.08 -0.72 -1.68 117.98 128.74 1joq s PHE 34 Ca 0.53 0.86 0.05 0.00 0.12 0.00 0.00 56.93 58.49 1joq s PHE 34 Cb -0.12 -2.28 -0.01 0.00 -0.57 0.00 0.00 43.02 40.05 1joq s PHE 34 CO 0.28 0.54 -0.24 0.50 -0.10 0.00 0.00 175.22 176.19 1joq s ARG 35 N -0.63 2.78 0.23 0.44 6.06 -0.97 -2.23 118.95 124.64 1joq s ARG 35 Ca 0.22 -0.88 -0.31 0.00 -2.50 0.00 0.00 55.73 52.25 1joq s ARG 35 Cb -0.15 -2.24 -0.13 0.00 0.06 0.00 0.00 34.95 32.48 1joq s ARG 35 CO 0.10 0.30 1.43 1.28 -2.50 0.00 0.00 175.30 175.91 1joq n LEU 36 N 3.18 3.14 -4.87 -0.88 4.77 -0.97 -4.11 117.00 117.28 1joq n LEU 36 Ca -0.18 1.14 -0.33 0.00 -0.03 0.00 0.00 56.01 56.61 1joq n LEU 36 Cb 0.52 -1.43 -0.06 0.00 -2.33 0.00 0.00 43.42 40.13 1joq n LEU 36 CO 0.27 -0.45 0.24 -0.76 -1.33 0.00 0.00 177.39 175.35 1joq s LEU 37 N 0.14 4.19 -0.75 2.23 1.43 -1.26 -3.93 118.68 120.73 1joq s LEU 37 Ca 0.69 0.99 0.00 0.00 -1.03 0.00 0.00 54.13 54.77 1joq s LEU 37 Cb -0.65 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 41.94 1joq s LEU 37 CO 0.49 -0.05 0.00 0.18 0.23 0.00 0.00 176.35 177.20 1joq n LEU 38 N 0.04 -0.24 -3.66 1.79 4.77 -1.25 -4.95 117.00 113.50 1joq n LEU 38 Ca -0.00 0.17 -0.07 0.00 -0.03 0.00 0.00 56.01 56.08 1joq n LEU 38 Cb 0.52 -1.84 -0.08 0.00 -2.33 0.00 0.00 43.42 39.69 1joq n LEU 38 CO 0.44 -0.64 0.13 0.68 -1.33 0.00 0.00 177.39 176.67 1joq s VAL 39 N -1.99 -0.59 0.08 4.08 -7.23 -1.24 -2.10 120.40 111.42 1joq s VAL 39 Ca 0.00 0.09 0.02 0.00 -1.81 0.00 0.00 61.98 60.29 1joq s VAL 39 Cb 0.00 -0.79 -0.04 0.00 0.56 0.00 0.00 36.38 36.11 1joq s VAL 39 CO 0.00 0.04 0.13 1.51 -0.31 0.00 0.00 175.10 176.47 1joq s ASP 40 N 2.41 5.80 0.10 4.85 1.47 -0.66 -4.63 116.67 126.01 1joq s ASP 40 Ca -0.05 0.07 0.03 0.00 1.18 0.00 0.00 52.55 53.78 1joq s ASP 40 Cb -0.11 -1.63 -0.04 0.00 -0.34 0.00 0.00 42.92 40.80 1joq s ASP 40 CO -0.15 0.16 0.12 0.28 0.68 0.00 0.00 175.17 176.26 1joq s THR 41 N -1.47 4.67 -0.18 2.11 -1.32 -1.26 -2.48 115.64 115.71 1joq s THR 41 Ca 0.31 -0.80 -0.29 0.00 -1.21 0.00 0.00 61.69 59.70 1joq s THR 41 Cb -0.12 -3.29 -0.01 0.00 -1.51 0.00 0.00 72.50 67.57 1joq s THR 41 CO 0.24 0.06 1.17 -2.16 -2.21 0.00 0.00 174.62 171.72 1joq s PRO 42 N -2.63 4.26 0.03 7.08 0.04 -1.26 -4.95 135.00 137.56 1joq s PRO 42 Ca 0.31 1.55 -0.39 0.00 0.04 0.00 0.00 61.00 62.50 1joq s PRO 42 Cb -0.12 -3.70 -0.19 0.00 0.04 0.00 0.00 34.50 30.54 1joq s PRO 42 CO 0.23 -0.64 1.16 0.39 0.04 0.00 0.00 177.00 178.18 1joq n GLU 43 N 6.34 0.37 -2.69 4.56 4.71 -1.26 -4.86 120.64 127.80 1joq n GLU 43 Ca 0.13 0.13 -0.07 0.00 -0.01 0.00 0.00 57.16 57.34 1joq n GLU 43 Cb 0.45 -1.68 0.10 0.00 -1.01 0.00 0.00 31.44 29.30 1joq n GLU 43 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 1joq n THR 44 N 1.83 0.28 -0.38 2.62 5.66 -1.26 -4.92 114.28 118.12 1joq n THR 44 Ca 0.19 -1.92 0.11 0.00 -3.05 0.00 0.00 64.05 59.39 1joq n THR 44 Cb 0.12 0.92 0.33 0.00 -1.55 0.00 0.00 70.33 70.14 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 -0.49 2.95 -2.45 1.09 5.02 -1.26 -4.80 118.16 118.21 1joq n LYS 45 Ca -0.00 -2.67 -0.40 0.00 -2.02 0.00 0.00 58.31 53.21 1joq n LYS 45 Cb 0.84 -1.65 -0.04 0.00 -0.02 0.00 0.00 35.03 34.16 1joq n LYS 45 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1joq s HIS 46 N -1.25 3.55 0.00 2.13 3.76 -1.26 -5.04 115.29 117.18 1joq s HIS 46 Ca 0.49 1.66 0.00 0.00 -0.15 0.00 0.00 55.06 57.06 1joq s HIS 46 Cb 0.27 -3.31 0.00 0.00 1.11 0.00 0.00 32.58 30.65 1joq s HIS 46 CO 0.31 -0.65 0.00 -0.35 -0.85 0.00 0.00 174.74 173.19 1joq n PRO 47 N 1.34 0.99 -2.62 8.40 -0.04 -1.26 -3.94 135.00 137.86 1joq n PRO 47 Ca -0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.39 1joq n PRO 47 Cb 0.45 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.91 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 -0.01 -2.06 -1.88 0.54 4.76 -1.26 -3.03 118.16 115.21 1joq n LYS 48 Ca 0.00 1.90 -0.10 0.00 -2.87 0.00 0.00 58.31 57.24 1joq n LYS 48 Cb 0.00 -4.99 -0.02 0.00 -1.84 0.00 0.00 35.03 28.18 1joq n LYS 48 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1joq n LYS 49 N -0.27 -1.81 0.00 1.97 4.81 -1.26 -4.44 118.16 117.16 1joq n LYS 49 Ca 0.09 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 1joq n LYS 49 Cb 0.36 -4.92 0.00 0.00 0.02 0.00 0.00 35.03 30.49 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 -0.47 -0.46 0.00 3.14 0.00 -1.17 -4.70 105.19 101.53 1joq n GLY 50 Ca -0.11 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 0.00 0.00 -4.69 1.61 0.31 -1.25 -4.40 118.33 109.91 1joq n VAL 51 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 1joq n VAL 51 Cb 0.00 -0.10 -0.09 0.00 -0.91 0.00 0.00 33.84 32.74 1joq n VAL 51 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1joq s GLU 52 N 3.52 2.08 2.61 5.55 2.02 -1.26 -4.48 118.70 128.73 1joq s GLU 52 Ca 0.00 -2.28 0.00 0.00 0.02 0.00 0.00 54.97 52.71 1joq s GLU 52 Cb 0.00 -1.47 0.00 0.00 0.10 0.00 0.00 34.13 32.76 1joq s GLU 52 CO 0.00 -0.27 0.00 1.63 0.02 0.00 0.00 175.26 176.64 1joq n LYS 53 N -1.12 0.00 -2.21 1.61 4.01 -1.26 -1.89 118.16 117.29 1joq n LYS 53 Ca -0.13 0.00 -0.25 0.00 -0.51 0.00 0.00 58.31 57.42 1joq n LYS 53 Cb 0.67 0.00 0.01 0.00 -0.51 0.00 0.00 35.03 35.20 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 0.00 2.98 0.00 2.13 4.01 -1.26 -4.91 117.16 120.11 1joq n TYR 54 Ca 0.00 -2.57 0.00 0.00 -0.16 0.00 0.00 57.90 55.17 1joq n TYR 54 Cb 0.00 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 38.79 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 -0.61 -1.89 2.74 2.72 0.00 -0.79 -4.06 105.19 103.29 1joq n GLY 55 Ca 0.41 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.02 1joq n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1joq n PRO 56 N -0.27 2.69 0.12 1.61 -0.04 -1.26 -4.15 135.00 133.70 1joq n PRO 56 Ca 0.00 -2.40 0.00 0.00 -0.04 0.00 0.00 63.50 61.06 1joq n PRO 56 Cb 0.00 -3.15 0.00 0.00 -0.04 0.00 0.00 33.50 30.31 1joq n PRO 56 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1joq n GLU 57 N 5.93 0.00 -0.17 0.54 -0.58 -1.26 -4.69 120.64 120.42 1joq n GLU 57 Ca 0.54 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 57.18 1joq n GLU 57 Cb 0.37 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.24 1joq n GLU 57 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1joq h ALA 58 N 0.00 0.68 0.05 0.62 0.00 -1.77 0.78 119.26 119.62 1joq h ALA 58 Ca 0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1joq h ALA 58 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1joq h ALA 58 CO 0.00 0.58 -0.02 1.03 0.00 0.00 0.00 179.25 180.84 1joq h SER 59 N 0.80 -0.06 0.30 0.00 0.87 -1.79 -2.58 113.55 111.09 1joq h SER 59 Ca 0.13 -0.34 -0.01 0.00 -1.23 0.00 0.00 61.79 60.33 1joq h SER 59 Cb 0.66 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1joq h SER 59 CO 0.05 0.32 -0.05 0.00 -0.53 0.00 0.00 176.83 176.61 1joq h ALA 60 N 0.49 1.21 0.61 6.23 0.00 -1.82 -0.56 119.26 125.41 1joq h ALA 60 Ca -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1joq h ALA 60 Cb 0.39 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1joq h ALA 60 CO 0.01 0.07 -0.29 0.35 0.00 0.00 0.00 179.25 179.38 1joq h PHE 61 N 0.00 -0.76 0.00 0.00 3.57 -0.46 -2.71 116.94 116.58 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 0.22 0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1joq h PHE 61 CO 0.00 -0.47 0.00 2.41 -2.23 0.00 0.00 178.31 178.02 1joq n THR 62 N -5.12 0.83 0.18 4.41 -1.04 -1.03 -1.85 114.28 110.66 1joq n THR 62 Ca -0.10 0.25 -0.12 0.00 -2.04 0.00 0.00 64.05 62.03 1joq n THR 62 Cb 0.32 -1.19 -0.07 0.00 -1.82 0.00 0.00 70.33 67.57 1joq n THR 62 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1joq h LYS 63 N 0.00 -0.48 0.00 -2.82 3.64 -0.95 -2.40 116.57 113.56 1joq h LYS 63 Ca 0.00 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 1joq h LYS 63 Cb 0.36 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1joq h LYS 63 CO 0.00 -0.16 -0.29 0.87 -2.27 0.00 0.00 179.45 177.60 1joq h LYS 64 N -0.92 0.00 0.74 1.90 1.57 -1.44 -1.89 116.57 116.53 1joq h LYS 64 Ca -0.05 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1joq h LYS 64 Cb 0.54 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.86 1joq h LYS 64 CO 0.08 0.29 -0.36 1.98 -0.57 0.00 0.00 179.45 180.88 1joq h MET 65 N 0.00 -0.96 0.00 3.15 4.05 -1.36 -0.82 114.93 118.99 1joq h MET 65 Ca -0.00 0.07 -0.04 0.00 -0.28 0.00 0.00 59.70 59.44 1joq h MET 65 Cb 1.01 0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 32.02 1joq h MET 65 CO 0.04 -0.64 -0.21 -0.39 0.23 0.00 0.00 176.91 175.94 1joq h VAL 66 N -1.25 0.54 0.00 -5.77 -1.51 -1.52 0.39 116.25 107.13 1joq h VAL 66 Ca -0.10 -1.04 -0.12 0.00 -1.23 0.00 0.00 66.70 64.22 1joq h VAL 66 Cb 0.76 1.71 -0.02 0.00 -2.13 0.00 0.00 31.29 31.61 1joq h VAL 66 CO 0.17 0.20 -0.55 -0.33 -1.23 0.00 0.00 177.57 175.83 1joq h GLU 67 N 0.00 0.00 -0.01 5.19 5.08 -1.24 -3.11 114.58 120.49 1joq h GLU 67 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1joq h GLU 67 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1joq h GLU 67 CO 0.03 0.55 -0.23 0.09 -1.00 0.00 0.00 179.01 178.44 1joq n ASN 68 N -3.83 1.45 -4.69 1.42 3.02 -0.32 -4.98 115.26 107.32 1joq n ASN 68 Ca -0.01 -1.22 -0.43 0.00 -0.03 0.00 0.00 54.58 52.89 1joq n ASN 68 Cb 0.57 0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 40.12 1joq n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1joq n ALA 69 N -0.11 2.12 0.01 5.41 0.00 0.13 -4.87 120.51 123.21 1joq n ALA 69 Ca 0.05 0.33 -0.11 0.00 0.00 0.00 0.00 53.44 53.71 1joq n ALA 69 Cb 0.27 -2.57 0.02 0.00 0.00 0.00 0.00 19.45 17.17 1joq n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1joq h LYS 70 N 8.27 0.57 -4.11 0.00 1.79 -1.90 -3.45 116.57 117.74 1joq h LYS 70 Ca -0.46 -0.41 -0.29 0.00 -2.18 0.00 0.00 60.65 57.31 1joq h LYS 70 Cb 1.23 0.07 -0.28 0.00 -1.58 0.00 0.00 32.23 31.66 1joq h LYS 70 CO 0.94 1.03 -0.74 0.15 -1.08 0.00 0.00 179.45 179.75 1joq s LYS 71 N -3.85 0.27 -0.19 3.15 1.02 -1.26 -5.01 119.74 113.87 1joq s LYS 71 Ca -0.07 -0.12 0.01 0.00 0.02 0.00 0.00 55.97 55.80 1joq s LYS 71 Cb 0.11 -0.27 0.04 0.00 -0.52 0.00 0.00 37.83 37.19 1joq s LYS 71 CO 0.85 0.07 -0.13 0.42 -0.92 0.00 0.00 175.35 175.65 1joq s ILE 72 N -0.08 1.72 -0.06 2.17 1.09 -1.26 -2.92 121.20 121.85 1joq s ILE 72 Ca 0.01 -0.95 0.00 0.00 -1.10 0.00 0.00 60.65 58.62 1joq s ILE 72 Cb -0.01 -1.71 0.02 0.00 -1.06 0.00 0.00 42.46 39.70 1joq s ILE 72 CO -0.00 0.28 -0.03 -1.61 -0.10 0.00 0.00 174.94 173.48 1joq s GLU 73 N 1.38 0.79 0.65 2.79 8.01 -1.01 -0.98 118.70 130.34 1joq s GLU 73 Ca 0.01 -0.04 0.01 0.00 0.01 0.00 0.00 54.97 54.96 1joq s GLU 73 Cb -0.15 -0.93 0.10 0.00 -4.31 0.00 0.00 34.13 28.83 1joq s GLU 73 CO -0.09 -0.17 0.91 0.14 0.01 0.00 0.00 175.26 176.05 1joq s VAL 74 N 1.35 2.29 -0.34 2.63 -7.23 0.10 -1.15 120.40 118.05 1joq s VAL 74 Ca -0.04 -0.66 -0.00 0.00 -1.81 0.00 0.00 61.98 59.46 1joq s VAL 74 Cb -0.13 -2.63 0.14 0.00 0.56 0.00 0.00 36.38 34.32 1joq s VAL 74 CO -0.02 0.00 0.21 -0.70 -0.31 0.00 0.00 175.10 174.28 1joq s GLU 75 N -4.97 0.51 0.24 4.82 2.12 0.83 -1.07 118.70 121.16 1joq s GLU 75 Ca 0.63 -1.19 -0.31 0.00 0.36 0.00 0.00 54.97 54.46 1joq s GLU 75 Cb -0.07 -1.23 -0.12 0.00 0.26 0.00 0.00 34.13 32.97 1joq s GLU 75 CO 0.42 -1.19 1.69 1.19 -0.54 0.00 0.00 175.26 176.83 1joq n PHE 76 N 4.21 2.80 -0.37 5.30 3.72 -1.26 -2.25 117.46 129.61 1joq n PHE 76 Ca 0.10 0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 1joq n PHE 76 Cb 0.38 -2.65 0.00 0.00 -0.94 0.00 0.00 39.48 36.27 1joq n PHE 76 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1joq n ASP 77 N 3.42 -0.70 0.02 4.37 -0.08 -1.26 -4.67 116.55 117.65 1joq n ASP 77 Ca 0.14 -0.37 0.11 0.00 -1.51 0.00 0.00 54.79 53.16 1joq n ASP 77 Cb 0.35 0.00 0.04 0.00 2.34 0.00 0.00 41.12 43.85 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 -1.07 0.22 0.00 -0.67 0.00 -1.26 -4.84 118.16 110.54 1joq n LYS 78 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1joq n LYS 78 Cb 0.00 -1.57 0.00 0.00 -0.00 0.00 0.00 35.03 33.46 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 1.40 -0.38 3.94 2.58 0.00 -1.26 -4.98 105.19 106.48 1joq n GLY 79 Ca 0.03 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 1joq n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1joq s GLN 80 N 0.00 2.86 -0.03 1.61 -0.21 -1.26 -5.01 119.66 117.61 1joq s GLN 80 Ca 0.00 -0.26 0.20 0.00 0.02 0.00 0.00 55.36 55.32 1joq s GLN 80 Cb 0.00 -2.37 -0.31 0.00 1.00 0.00 0.00 33.01 31.33 1joq s GLN 80 CO 0.00 -0.62 0.43 -2.13 -2.12 0.00 0.00 175.29 170.85 1joq n ARG 81 N -2.43 0.62 -4.02 2.91 0.63 -1.26 -4.67 116.66 108.43 1joq n ARG 81 Ca 0.04 -0.18 -0.08 0.00 -0.92 0.00 0.00 57.85 56.71 1joq n ARG 81 Cb 0.58 -1.48 -0.09 0.00 0.45 0.00 0.00 32.46 31.93 1joq n ARG 81 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1joq s THR 82 N -3.37 0.16 0.20 5.15 -4.23 -1.26 -1.65 115.64 110.64 1joq s THR 82 Ca -0.07 -1.61 0.02 0.00 -1.18 0.00 0.00 61.69 58.85 1joq s THR 82 Cb 0.13 -1.61 0.02 0.00 1.34 0.00 0.00 72.50 72.38 1joq s THR 82 CO 0.83 -0.72 0.18 -0.90 -0.54 0.00 0.00 174.62 173.47 1joq n ASP 83 N -0.01 1.39 0.24 3.99 5.75 -0.74 -4.88 116.55 122.27 1joq n ASP 83 Ca -0.12 -1.64 0.10 0.00 -0.01 0.00 0.00 54.79 53.13 1joq n ASP 83 Cb 0.62 -0.05 0.58 0.00 -1.03 0.00 0.00 41.12 41.24 1joq n ASP 83 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 1joq h LYS 84 N 0.00 0.00 0.00 0.11 2.10 -2.03 -1.71 116.57 115.04 1joq h LYS 84 Ca -0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 1joq h LYS 84 Cb 0.45 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 1joq h LYS 84 CO 0.18 0.20 0.00 0.66 -2.00 0.00 0.00 179.45 178.49 1joq n TYR 85 N -3.61 0.00 -1.05 0.07 4.02 -1.26 -4.84 117.16 110.50 1joq n TYR 85 Ca -0.01 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.86 1joq n TYR 85 Cb 0.33 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.65 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 0.85 0.52 3.77 2.72 0.00 -0.64 -5.00 105.19 107.39 1joq n GLY 86 Ca 0.21 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.16 4.21 0.07 1.61 0.52 -1.26 -4.55 118.95 118.39 1joq s ARG 87 Ca 0.00 0.49 -0.30 0.00 -0.52 0.00 0.00 55.73 55.39 1joq s ARG 87 Cb 0.00 -3.35 -0.06 0.00 0.52 0.00 0.00 34.95 32.06 1joq s ARG 87 CO 0.00 0.37 1.15 0.20 0.02 0.00 0.00 175.30 177.04 1joq s GLY 88 N -0.08 2.56 -0.26 -3.53 0.00 -0.67 -1.79 107.32 103.54 1joq s GLY 88 Ca 0.26 0.79 -0.09 0.00 0.00 0.00 0.00 44.72 45.68 1joq s GLY 88 CO 0.12 1.92 0.12 1.08 0.00 0.00 0.00 173.10 176.34 1joq s LEU 89 N 0.81 3.68 0.03 0.66 1.43 -0.66 -2.29 118.68 122.35 1joq s LEU 89 Ca 0.56 -0.14 -0.28 0.00 -1.03 0.00 0.00 54.13 53.24 1joq s LEU 89 Cb -0.28 -2.00 0.10 0.00 0.03 0.00 0.00 46.19 44.03 1joq s LEU 89 CO 0.30 -0.05 1.07 0.00 0.23 0.00 0.00 176.35 177.91 1joq s ALA 90 N 1.67 -1.90 -0.32 4.21 0.00 -1.26 -4.31 121.76 119.85 1joq s ALA 90 Ca 0.07 0.64 -0.21 0.00 0.00 0.00 0.00 51.96 52.45 1joq s ALA 90 Cb -0.15 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 1joq s ALA 90 CO 0.07 -0.93 0.66 0.71 0.00 0.00 0.00 175.76 176.27 1joq s TYR 91 N -2.90 3.20 0.24 0.00 2.02 -0.95 -4.07 117.35 114.88 1joq s TYR 91 Ca 0.11 0.57 -0.20 0.00 -0.37 0.00 0.00 57.07 57.18 1joq s TYR 91 Cb 0.01 -3.06 -0.08 0.00 -0.40 0.00 0.00 41.96 38.42 1joq s TYR 91 CO -0.02 -0.52 0.75 0.42 -1.57 0.00 0.00 175.55 174.60 1joq s ILE 92 N 2.69 4.53 -0.11 2.71 1.01 -1.26 -0.12 121.20 130.64 1joq s ILE 92 Ca 0.26 1.34 0.01 0.00 0.00 0.00 0.00 60.65 62.26 1joq s ILE 92 Cb -0.15 -3.87 0.02 0.00 0.01 0.00 0.00 42.46 38.47 1joq s ILE 92 CO 0.13 0.19 -0.12 -0.31 0.00 0.00 0.00 174.94 174.83 1joq s TYR 93 N -1.54 1.75 -0.11 3.97 2.02 -0.30 -1.45 117.35 121.69 1joq s TYR 93 Ca 0.44 -0.87 0.02 0.00 -0.37 0.00 0.00 57.07 56.30 1joq s TYR 93 Cb -0.17 -1.34 -0.01 0.00 -0.40 0.00 0.00 41.96 40.05 1joq s TYR 93 CO 0.21 -0.51 -0.18 0.00 -1.57 0.00 0.00 175.55 173.50 1joq s ALA 94 N 1.34 2.42 -1.63 3.71 0.00 -0.14 -2.40 121.76 125.06 1joq s ALA 94 Ca -0.00 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1joq s ALA 94 Cb -0.14 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 21.98 1joq s ALA 94 CO -0.06 0.30 0.00 -0.25 0.00 0.00 0.00 175.76 175.76 1joq n ASP 95 N 3.38 -4.97 0.00 0.00 8.00 -1.15 -1.33 116.55 120.47 1joq n ASP 95 Ca -0.18 0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.70 1joq n ASP 95 Cb 0.53 -3.83 0.00 0.00 -0.02 0.00 0.00 41.12 37.80 1joq n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1joq n GLY 96 N -0.93 0.50 3.32 0.44 0.00 -1.26 -5.02 105.19 102.25 1joq n GLY 96 Ca -0.15 -0.57 -0.28 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 -1.10 1.57 -0.36 1.61 2.20 -0.45 -5.08 119.74 118.14 1joq s LYS 97 Ca 0.00 -1.11 -0.29 0.00 -0.36 0.00 0.00 55.97 54.21 1joq s LYS 97 Cb 0.00 -1.80 -0.01 0.00 -1.51 0.00 0.00 37.83 34.52 1joq s LYS 97 CO 0.00 0.45 1.62 1.41 -0.36 0.00 0.00 175.35 178.47 1joq s MET 98 N -1.42 3.47 0.30 4.03 -2.45 -1.26 -0.96 119.30 121.00 1joq s MET 98 Ca 0.11 1.23 0.01 0.00 -1.25 0.00 0.00 55.69 55.78 1joq s MET 98 Cb -0.10 -4.11 0.54 0.00 1.25 0.00 0.00 34.83 32.42 1joq s MET 98 CO 0.03 -1.69 1.91 0.28 1.05 0.00 0.00 175.02 176.59 1joq h VAL 99 N 6.62 1.05 -0.98 10.11 2.07 -1.58 0.38 116.25 133.91 1joq h VAL 99 Ca -0.31 -0.35 0.06 0.00 0.82 0.00 0.00 66.70 66.93 1joq h VAL 99 Cb 1.14 -0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 1joq h VAL 99 CO 1.05 0.18 0.64 0.78 0.02 0.00 0.00 177.57 180.25 1joq h ASN 100 N 1.01 1.02 1.69 0.57 4.21 -1.89 0.10 115.58 122.29 1joq h ASN 100 Ca 0.40 0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.89 1joq h ASN 100 Cb 0.24 -0.21 -0.00 0.00 -1.12 0.00 0.00 38.32 37.22 1joq h ASN 100 CO -0.15 0.66 -0.11 -0.08 -1.29 0.00 0.00 177.43 176.45 1joq h GLU 101 N 1.16 0.00 -0.30 0.81 4.81 -1.42 -2.73 114.58 116.90 1joq h GLU 101 Ca 0.42 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.53 1joq h GLU 101 Cb 0.16 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 1joq h GLU 101 CO -0.16 0.11 -0.30 0.00 -0.73 0.00 0.00 179.01 177.93 1joq h ALA 102 N 1.89 0.44 0.07 2.92 0.00 0.11 -0.90 119.26 123.79 1joq h ALA 102 Ca -0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1joq h ALA 102 Cb 0.99 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1joq h ALA 102 CO 0.01 0.47 -0.03 -0.07 0.00 0.00 0.00 179.25 179.63 1joq h LEU 103 N 0.48 -0.08 -1.46 0.00 3.38 -1.30 -2.44 115.31 113.89 1joq h LEU 103 Ca 0.05 -0.49 0.14 0.00 0.09 0.00 0.00 57.88 57.67 1joq h LEU 103 Cb 0.87 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 1joq h LEU 103 CO 0.07 0.48 0.53 0.58 0.09 0.00 0.00 178.44 180.19 1joq h VAL 104 N -0.67 0.82 -0.58 1.22 2.07 -1.53 0.12 116.25 117.70 1joq h VAL 104 Ca -0.01 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.23 1joq h VAL 104 Cb 0.56 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1joq h VAL 104 CO 0.02 0.10 -0.02 -0.09 0.02 0.00 0.00 177.57 177.59 1joq h ARG 105 N 0.53 1.03 -0.67 1.57 2.43 -1.06 -2.01 114.38 116.19 1joq h ARG 105 Ca 0.40 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1joq h ARG 105 Cb 0.78 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1joq h ARG 105 CO -0.15 1.02 0.00 1.04 -1.51 0.00 0.00 179.97 180.38 1joq n GLN 106 N -4.17 2.57 -3.97 0.20 3.00 0.28 -4.80 117.38 110.49 1joq n GLN 106 Ca 0.03 -1.44 -0.32 0.00 -0.01 0.00 0.00 57.00 55.26 1joq n GLN 106 Cb 0.36 -1.70 -0.01 0.00 0.00 0.00 0.00 30.24 28.89 1joq n GLN 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1joq n GLY 107 N 0.52 -0.52 0.01 1.08 0.00 -0.30 -4.54 105.19 101.43 1joq n GLY 107 Ca 0.13 0.27 0.02 0.00 0.00 0.00 0.00 46.02 46.44 1joq n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1joq n LEU 108 N -4.51 0.00 -4.55 0.99 4.77 -0.67 -2.96 117.00 110.07 1joq n LEU 108 Ca -0.22 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.51 1joq n LEU 108 Cb 0.64 0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.65 1joq n LEU 108 CO 0.75 0.03 -0.29 0.00 -1.33 0.00 0.00 177.39 176.54 1joq s ALA 109 N -2.43 2.84 -0.14 -1.18 0.00 -1.26 -4.67 121.76 114.93 1joq s ALA 109 Ca -0.03 -2.19 0.02 0.00 0.00 0.00 0.00 51.96 49.76 1joq s ALA 109 Cb 0.04 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.49 1joq s ALA 109 CO 0.28 -0.17 -0.21 0.15 0.00 0.00 0.00 175.76 175.82 1joq s LYS 110 N -3.76 2.88 -0.05 0.00 1.02 -1.03 -4.74 119.74 114.06 1joq s LYS 110 Ca 0.35 -0.80 -0.30 0.00 0.02 0.00 0.00 55.97 55.24 1joq s LYS 110 Cb 0.09 -2.36 -0.07 0.00 -0.52 0.00 0.00 37.83 34.97 1joq s LYS 110 CO 0.17 -0.05 1.85 0.08 -0.92 0.00 0.00 175.35 176.47 1joq s VAL 111 N 0.92 3.29 0.03 3.17 1.01 -1.26 -1.66 120.40 125.89 1joq s VAL 111 Ca -0.05 0.34 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 1joq s VAL 111 Cb -0.15 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 33.00 1joq s VAL 111 CO -0.04 -0.05 0.07 0.00 0.00 0.00 0.00 175.10 175.08 1joq n ALA 112 N 7.89 -0.17 -3.23 5.51 0.00 -0.89 -4.92 120.51 124.69 1joq n ALA 112 Ca 0.20 -0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.45 1joq n ALA 112 Cb 0.42 0.07 0.02 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.05 -2.67 -3.84 0.00 4.01 -1.26 -3.60 117.16 109.76 1joq n TYR 113 Ca -0.01 0.97 -0.36 0.00 -0.16 0.00 0.00 57.90 58.35 1joq n TYR 113 Cb 0.05 -3.93 -0.13 0.00 -0.31 0.00 0.00 39.34 35.01 1joq n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1joq s VAL 114 N -3.14 3.81 -0.14 -0.72 1.01 -1.26 -4.14 120.40 115.81 1joq s VAL 114 Ca 0.16 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 61.74 1joq s VAL 114 Cb -0.03 -2.76 0.06 0.00 0.00 0.00 0.00 36.38 33.66 1joq s VAL 114 CO 0.77 0.38 0.31 -0.31 0.00 0.00 0.00 175.10 176.26 1joq s TYR 115 N 1.54 -0.50 0.62 5.22 2.02 -1.25 -5.09 117.35 119.90 1joq s TYR 115 Ca 0.06 1.08 -0.14 0.00 -0.37 0.00 0.00 57.07 57.70 1joq s TYR 115 Cb -0.15 0.09 -0.03 0.00 -0.40 0.00 0.00 41.96 41.48 1joq s TYR 115 CO -0.00 -0.35 1.06 -1.59 -1.57 0.00 0.00 175.55 173.10 1joq s LYS 116 N 2.04 3.24 -0.04 -0.62 -2.85 -1.26 -0.10 119.74 120.14 1joq s LYS 116 Ca -0.03 1.13 0.03 0.00 -1.00 0.00 0.00 55.97 56.10 1joq s LYS 116 Cb -0.11 -2.02 0.18 0.00 -2.06 0.00 0.00 37.83 33.81 1joq s LYS 116 CO -0.10 -0.87 0.84 -0.35 0.10 0.00 0.00 175.35 174.97 1joq n PRO 117 N -2.30 1.79 -2.41 1.78 -0.04 -1.26 -4.98 135.00 127.59 1joq n PRO 117 Ca 0.08 -0.69 -0.43 0.00 -0.04 0.00 0.00 63.50 62.43 1joq n PRO 117 Cb 0.53 -1.58 0.00 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 0.11 4.91 -0.94 3.54 3.02 0.85 -4.21 115.26 122.54 1joq n ASN 118 Ca 0.06 -3.02 -0.05 0.00 -0.03 0.00 0.00 54.58 51.54 1joq n ASN 118 Cb 0.41 -1.55 -0.05 0.00 -0.61 0.00 0.00 39.78 37.98 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 5.07 -0.77 0.25 6.41 0.23 -1.26 -3.87 115.26 121.32 1joq n ASN 119 Ca 0.42 -1.52 0.18 0.00 -0.53 0.00 0.00 54.58 53.13 1joq n ASN 119 Cb 0.39 0.24 0.87 0.00 -2.08 0.00 0.00 39.78 39.20 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 3.72 0.22 -1.11 5.53 2.02 -1.96 -1.81 112.91 119.52 1joq h THR 120 Ca -0.42 0.00 -0.50 0.00 0.77 0.00 0.00 66.41 66.26 1joq h THR 120 Cb 1.18 0.77 -0.42 0.00 -1.74 0.00 0.00 68.15 67.95 1joq h THR 120 CO -0.21 0.00 -0.89 1.41 0.37 0.00 0.00 175.52 176.20 1joq n HIS 121 N -3.36 2.58 -0.02 3.16 8.25 -1.26 -4.82 115.22 119.74 1joq n HIS 121 Ca 0.01 -2.73 -0.19 0.00 -0.26 0.00 0.00 57.72 54.54 1joq n HIS 121 Cb 0.35 -0.22 -0.13 0.00 1.12 0.00 0.00 29.99 31.11 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 2.57 0.16 -0.36 -0.41 4.22 -1.71 -3.21 114.58 115.84 1joq h GLU 122 Ca 0.19 -0.27 -0.05 0.00 0.08 0.00 0.00 59.36 59.31 1joq h GLU 122 Cb 1.16 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1joq h GLU 122 CO 0.69 1.13 0.02 1.96 -2.18 0.00 0.00 179.01 180.63 1joq h GLN 123 N -0.61 0.62 0.18 1.92 4.20 -1.88 -0.92 115.11 118.63 1joq h GLN 123 Ca -0.19 -0.19 0.01 0.00 0.06 0.00 0.00 58.65 58.33 1joq h GLN 123 Cb 1.47 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 29.14 1joq h GLN 123 CO 0.02 0.72 -0.53 1.25 -0.67 0.00 0.00 178.83 179.63 1joq h LEU 124 N 0.45 -1.57 -1.58 1.46 5.85 -1.91 0.15 115.31 118.16 1joq h LEU 124 Ca 0.10 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1joq h LEU 124 Cb 0.43 0.57 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1joq h LEU 124 CO 0.01 -0.58 0.00 -0.07 -0.34 0.00 0.00 178.44 177.47 1joq h LEU 125 N -0.80 0.00 0.18 2.25 3.38 -1.55 -2.81 115.31 115.97 1joq h LEU 125 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1joq h LEU 125 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1joq h LEU 125 CO -0.25 0.00 -0.09 0.03 0.09 0.00 0.00 178.44 178.22 1joq h ARG 126 N 0.00 -0.24 -1.00 1.13 2.47 0.72 -2.36 114.38 115.10 1joq h ARG 126 Ca 0.00 0.02 0.22 0.00 -1.26 0.00 0.00 59.98 58.96 1joq h ARG 126 Cb 0.23 0.05 -0.11 0.00 -1.65 0.00 0.00 29.97 28.49 1joq h ARG 126 CO 0.00 -0.16 0.61 1.57 0.56 0.00 0.00 179.97 182.56 1joq h LYS 127 N -0.45 0.61 -0.56 0.04 2.10 -1.24 0.29 116.57 117.36 1joq h LYS 127 Ca -0.02 -0.04 0.06 0.00 -2.00 0.00 0.00 60.65 58.65 1joq h LYS 127 Cb 0.19 -0.14 -0.06 0.00 -0.90 0.00 0.00 32.23 31.32 1joq h LYS 127 CO 0.04 0.40 0.26 0.77 -2.00 0.00 0.00 179.45 178.92 1joq h SER 128 N 0.63 0.33 -0.30 7.07 0.02 -1.52 0.83 113.55 120.62 1joq h SER 128 Ca 0.60 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.60 1joq h SER 128 Cb 1.12 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 1joq h SER 128 CO -0.39 0.22 0.19 -0.08 -1.14 0.00 0.00 176.83 175.63 1joq h GLU 129 N 0.48 0.40 -0.43 3.45 4.57 0.13 -1.17 114.58 122.00 1joq h GLU 129 Ca 0.26 -0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 58.32 1joq h GLU 129 Cb 0.23 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 1joq h GLU 129 CO -0.22 0.28 -0.13 0.00 -1.18 0.00 0.00 179.01 177.76 1joq h ALA 130 N 1.80 0.96 -0.47 2.92 0.00 -0.33 -1.75 119.26 122.39 1joq h ALA 130 Ca 0.11 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1joq h ALA 130 Cb -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1joq h ALA 130 CO -0.02 0.61 -0.10 0.37 0.00 0.00 0.00 179.25 180.11 1joq h GLN 131 N 0.71 0.86 0.00 0.00 5.75 -0.34 -2.14 115.11 119.95 1joq h GLN 131 Ca 0.12 -0.29 -0.06 0.00 -0.15 0.00 0.00 58.65 58.27 1joq h GLN 131 Cb 0.62 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.09 1joq h GLN 131 CO 0.04 0.92 -0.27 0.00 -2.65 0.00 0.00 178.83 176.87 1joq h ALA 132 N 1.11 1.09 -0.04 3.38 0.00 -1.08 -2.31 119.26 121.41 1joq h ALA 132 Ca 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1joq h ALA 132 Cb 0.60 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1joq h ALA 132 CO 0.04 0.33 -0.04 0.87 0.00 0.00 0.00 179.25 180.46 1joq h LYS 133 N 0.00 0.10 -0.17 0.00 1.57 -0.67 0.14 116.57 117.54 1joq h LYS 133 Ca -0.00 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 1joq h LYS 133 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1joq h LYS 133 CO 0.03 0.55 -0.16 0.87 -0.57 0.00 0.00 179.45 180.17 1joq h LYS 134 N -0.34 0.28 -0.00 3.15 1.57 -1.38 -1.57 116.57 118.28 1joq h LYS 134 Ca 0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1joq h LYS 134 Cb 0.53 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1joq h LYS 134 CO 0.01 0.45 -0.21 0.39 -0.57 0.00 0.00 179.45 179.52 1joq n GLU 135 N -4.23 0.05 -3.59 3.15 1.02 -0.88 -4.95 120.64 111.21 1joq n GLU 135 Ca -0.01 -0.02 -0.25 0.00 -0.02 0.00 0.00 57.16 56.87 1joq n GLU 135 Cb 0.30 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.25 1joq n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1joq n LYS 136 N -1.46 -1.29 -2.90 3.49 5.02 0.46 -4.85 118.16 116.64 1joq n LYS 136 Ca 0.07 0.69 -0.43 0.00 -2.02 0.00 0.00 58.31 56.61 1joq n LYS 136 Cb 0.33 -4.07 -0.03 0.00 -0.02 0.00 0.00 35.03 31.24 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 -5.78 4.75 0.00 -0.35 1.98 -1.01 -4.44 118.68 113.83 1joq s LEU 137 Ca 0.31 -1.52 0.00 0.00 -2.89 0.00 0.00 54.13 50.04 1joq s LEU 137 Cb -0.11 -2.40 0.00 0.00 0.66 0.00 0.00 46.19 44.33 1joq s LEU 137 CO 0.85 -1.25 0.00 0.59 -1.89 0.00 0.00 176.35 174.65 1joq n ASN 138 N 7.10 0.00 -0.36 3.68 3.02 -1.26 -3.66 115.26 123.78 1joq n ASN 138 Ca 0.09 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.71 1joq n ASN 138 Cb 0.47 0.00 0.15 0.00 -0.61 0.00 0.00 39.78 39.79 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 -0.26 2.41 2.04 -1.84 0.54 117.51 120.40 1joq h ILE 139 Ca 0.00 -0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.67 1joq h ILE 139 Cb 0.00 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.01 1joq h ILE 139 CO 0.00 0.00 0.09 0.79 0.00 0.00 0.00 178.15 179.03 1joq n TRP 140 N -5.62 0.62 -0.83 1.37 7.02 -1.24 -4.06 117.44 114.71 1joq n TRP 140 Ca 0.17 -1.49 0.08 0.00 -1.02 0.00 0.00 57.50 55.24 1joq n TRP 140 Cb 0.52 -0.96 0.25 0.00 -2.42 0.00 0.00 31.31 28.71 1joq n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1joq n SER 141 N 1.30 3.84 -4.04 -0.99 3.41 0.19 -4.01 113.62 113.31 1joq n SER 141 Ca 0.23 -2.81 -0.30 0.00 -0.26 0.00 0.00 58.87 55.74 1joq n SER 141 Cb 0.61 -0.50 0.22 0.00 -0.26 0.00 0.00 64.21 64.29 1joq n SER 141 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1joq s GLU 142 N -2.45 -0.76 -1.26 4.33 2.02 -1.26 -4.90 118.70 114.42 1joq s GLU 142 Ca 0.40 0.05 -0.13 0.00 0.02 0.00 0.00 54.97 55.31 1joq s GLU 142 Cb 0.30 -1.64 0.15 0.00 0.10 0.00 0.00 34.13 33.05 1joq s GLU 142 CO 0.11 -3.43 1.66 -0.25 0.02 0.00 0.00 175.26 173.37 1joq n ASP 143 N -4.58 5.07 -3.20 -0.19 8.00 -1.26 -4.76 116.55 115.63 1joq n ASP 143 Ca 0.11 -3.01 -0.24 0.00 0.71 0.00 0.00 54.79 52.36 1joq n ASP 143 Cb 0.59 -1.56 -0.07 0.00 -0.02 0.00 0.00 41.12 40.06 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 5.36 0.05 -1.91 -2.24 4.05 -1.26 -4.94 115.26 114.37 1joq n ASN 144 Ca 0.40 -2.67 -0.21 0.00 0.45 0.00 0.00 54.58 52.55 1joq n ASN 144 Cb 0.41 -0.59 0.14 0.00 1.23 0.00 0.00 39.78 40.97 1joq n ASN 144 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1joq n ALA 145 N 1.55 5.35 -2.36 5.20 0.00 -1.26 -4.71 120.51 124.28 1joq n ALA 145 Ca 0.22 -3.24 -0.40 0.00 0.00 0.00 0.00 53.44 50.02 1joq n ALA 145 Cb 0.53 -1.19 0.03 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.03 7.30 -0.04 0.00 9.92 -1.26 -4.76 116.55 126.68 1joq n ASP 146 Ca 0.51 -3.75 -0.09 0.00 -0.53 0.00 0.00 54.79 50.93 1joq n ASP 146 Cb 1.14 -1.10 -0.03 0.00 -0.64 0.00 0.00 41.12 40.49 1joq n ASP 146 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1joq h SER 147 N 3.66 0.01 0.00 -2.24 0.02 -2.05 -3.46 113.55 109.49 1joq h SER 147 Ca 0.54 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.52 1joq h SER 147 Cb 0.22 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1joq h SER 147 CO 1.27 0.03 0.00 0.61 -1.14 0.00 0.00 176.83 177.60 1joq n GLY 148 N -1.17 4.24 0.84 -3.77 0.00 -1.26 -5.31 105.19 98.75 1joq n GLY 148 Ca -0.03 -0.77 0.11 0.00 0.00 0.00 0.00 46.02 45.33 1joq n GLY 148 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14