#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2joq s GLY 2 N 0.00 -0.63 -0.59 2.61 0.00 -1.26 -5.10 107.32 102.35 2joq s GLY 2 Ca 0.00 2.35 -0.03 0.00 0.00 0.00 0.00 44.72 47.05 2joq s GLY 2 CO 0.00 2.47 0.40 -1.58 0.00 0.00 0.00 173.10 174.39 2joq s HIS 3 N 1.83 3.43 -0.34 1.90 5.04 -1.26 -5.06 115.29 120.82 2joq s HIS 3 Ca -0.09 -2.69 -0.10 0.00 -1.54 0.00 0.00 55.06 50.64 2joq s HIS 3 Cb -0.06 -3.19 0.01 0.00 0.04 0.00 0.00 32.58 29.37 2joq s HIS 3 CO -0.19 -0.86 0.18 -1.64 -2.34 0.00 0.00 174.74 169.89 2joq s MET 4 N 0.10 3.11 -0.09 2.88 -1.94 -1.26 -5.05 119.30 117.05 2joq s MET 4 Ca 0.16 -0.88 -0.32 0.00 -1.71 0.00 0.00 55.69 52.94 2joq s MET 4 Cb -0.21 -3.66 -0.09 0.00 2.01 0.00 0.00 34.83 32.88 2joq s MET 4 CO -0.03 -0.55 2.01 -2.30 -0.01 0.00 0.00 175.02 174.13 2joq n PRO 5 N 5.00 2.29 -0.59 2.03 -0.02 -1.26 -4.86 135.00 137.60 2joq n PRO 5 Ca -0.13 0.80 0.05 0.00 -2.02 0.00 0.00 63.50 62.20 2joq n PRO 5 Cb 0.48 -2.87 0.27 0.00 -0.02 0.00 0.00 33.50 31.36 2joq n PRO 5 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2joq n SER 6 N 8.21 4.11 -0.34 2.55 3.41 -1.26 -4.43 113.62 125.88 2joq n SER 6 Ca 0.25 -2.58 0.05 0.00 -0.26 0.00 0.00 58.87 56.32 2joq n SER 6 Cb 0.36 -0.60 0.20 0.00 -0.26 0.00 0.00 64.21 63.90 2joq n SER 6 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2joq h ASP 7 N 2.76 0.87 -0.24 4.04 5.19 -2.06 -2.27 116.42 124.71 2joq h ASP 7 Ca 0.00 0.04 -0.17 0.00 -0.62 0.00 0.00 57.03 56.28 2joq h ASP 7 Cb 1.44 -0.14 -0.12 0.00 0.18 0.00 0.00 39.33 40.69 2joq h ASP 7 CO 0.31 0.49 -0.51 -1.20 -3.12 0.00 0.00 179.24 175.21 2joq n SER 8 N -4.63 2.68 -4.63 6.45 7.64 -1.26 -5.06 113.62 114.80 2joq n SER 8 Ca 0.16 -3.86 -0.48 0.00 1.01 0.00 0.00 58.87 55.70 2joq n SER 8 Cb 0.29 -0.50 -0.05 0.00 -1.01 0.00 0.00 64.21 62.94 2joq n SER 8 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2joq n LYS 9 N -1.02 1.64 -3.81 1.43 4.81 -0.86 -4.99 118.16 115.36 2joq n LYS 9 Ca 0.28 0.59 -0.37 0.00 -0.87 0.00 0.00 58.31 57.93 2joq n LYS 9 Cb 0.80 -2.27 -0.06 0.00 0.02 0.00 0.00 35.03 33.52 2joq n LYS 9 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2joq s LYS 10 N 0.45 3.54 0.03 1.64 3.01 -1.26 -5.06 119.74 122.08 2joq s LYS 10 Ca 0.79 -0.04 -0.30 0.00 -1.01 0.00 0.00 55.97 55.41 2joq s LYS 10 Cb -0.80 -3.20 -0.07 0.00 -1.01 0.00 0.00 37.83 32.75 2joq s LYS 10 CO 0.44 0.75 1.53 -1.25 0.51 0.00 0.00 175.35 177.33 2joq s PRO 11 N -1.01 4.24 -0.17 -1.68 0.04 -1.26 -4.96 135.00 130.20 2joq s PRO 11 Ca 0.16 2.15 -0.29 0.00 0.04 0.00 0.00 61.00 63.06 2joq s PRO 11 Cb -0.13 -3.60 -0.03 0.00 0.04 0.00 0.00 34.50 30.78 2joq s PRO 11 CO 0.05 -0.66 1.58 0.99 0.04 0.00 0.00 177.00 179.00 2joq s THR 12 N 2.56 3.75 -0.09 1.26 2.01 -1.26 -4.99 115.64 118.88 2joq s THR 12 Ca 0.69 0.87 -0.15 0.00 0.31 0.00 0.00 61.69 63.41 2joq s THR 12 Cb -0.35 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 2joq s THR 12 CO 0.29 -0.22 0.38 -0.63 -0.69 0.00 0.00 174.62 173.76 2joq s ILE 13 N 4.67 5.19 -0.09 1.82 -1.09 -1.26 -5.04 121.20 125.39 2joq s ILE 13 Ca 0.70 0.76 -0.30 0.00 -2.23 0.00 0.00 60.65 59.57 2joq s ILE 13 Cb -0.26 -3.71 -0.02 0.00 -1.58 0.00 0.00 42.46 36.89 2joq s ILE 13 CO 0.27 0.44 1.17 -0.63 -1.23 0.00 0.00 174.94 174.96 2joq s ILE 14 N -0.07 4.37 -0.04 2.92 -1.09 -1.26 -5.03 121.20 121.00 2joq s ILE 14 Ca 0.22 1.68 0.01 0.00 -2.23 0.00 0.00 60.65 60.32 2joq s ILE 14 Cb -0.15 -4.08 0.02 0.00 -1.58 0.00 0.00 42.46 36.68 2joq s ILE 14 CO 0.09 -0.03 -0.03 -0.31 -1.23 0.00 0.00 174.94 173.43 2joq s TYR 15 N 2.41 0.60 0.72 3.97 2.02 -1.26 -3.98 117.35 121.83 2joq s TYR 15 Ca 0.54 -0.14 -0.11 0.00 -0.37 0.00 0.00 57.07 56.99 2joq s TYR 15 Cb -0.23 -0.59 0.02 0.00 -0.40 0.00 0.00 41.96 40.76 2joq s TYR 15 CO 0.19 -0.18 1.08 -1.25 -1.57 0.00 0.00 175.55 173.83 2joq s PRO 16 N 1.02 2.77 0.07 -1.71 0.04 -1.26 -4.98 135.00 130.95 2joq s PRO 16 Ca -0.10 0.59 -0.27 0.00 0.04 0.00 0.00 61.00 61.26 2joq s PRO 16 Cb -0.14 -2.00 0.09 0.00 0.04 0.00 0.00 34.50 32.49 2joq s PRO 16 CO -0.01 -1.12 0.95 0.00 0.04 0.00 0.00 177.00 176.86 2joq s LEU 18 N -2.73 3.85 0.01 0.00 1.43 -1.26 -0.84 118.68 119.14 2joq s LEU 18 Ca 0.09 -0.07 -0.08 0.00 -1.03 0.00 0.00 54.13 53.04 2joq s LEU 18 Cb -0.01 -3.04 -0.05 0.00 0.03 0.00 0.00 46.19 43.12 2joq s LEU 18 CO -0.03 -1.28 0.29 0.86 0.23 0.00 0.00 176.35 176.43 2joq s TRP 19 N 4.26 3.60 -0.11 0.29 -0.11 0.58 -4.84 118.94 122.60 2joq s TRP 19 Ca 0.37 0.66 -0.10 0.00 1.22 0.00 0.00 56.10 58.25 2joq s TRP 19 Cb -0.10 -2.05 -0.05 0.00 -1.50 0.00 0.00 33.47 29.77 2joq s TRP 19 CO 0.23 0.61 0.22 -0.51 -4.62 0.00 0.00 176.95 172.88 2joq s ASP 20 N -1.56 6.46 -0.15 5.86 1.11 -1.26 -1.53 116.67 125.60 2joq s ASP 20 Ca 0.27 0.54 0.00 0.00 0.18 0.00 0.00 52.55 53.54 2joq s ASP 20 Cb -0.14 -2.13 0.02 0.00 1.07 0.00 0.00 42.92 41.75 2joq s ASP 20 CO 0.15 0.32 -0.15 -0.31 1.18 0.00 0.00 175.17 176.36 2joq s TYR 21 N -0.65 2.24 -0.48 4.23 1.51 0.12 -4.80 117.35 119.52 2joq s TYR 21 Ca 0.16 -1.27 -0.27 0.00 -1.01 0.00 0.00 57.07 54.68 2joq s TYR 21 Cb -0.13 -1.63 0.03 0.00 -0.11 0.00 0.00 41.96 40.12 2joq s TYR 21 CO 0.05 -0.69 1.03 0.50 -1.11 0.00 0.00 175.55 175.33 2joq s ARG 22 N 1.47 3.58 -0.40 -0.62 6.06 -0.08 -0.84 118.95 128.12 2joq s ARG 22 Ca 0.05 0.28 -0.07 0.00 -2.50 0.00 0.00 55.73 53.50 2joq s ARG 22 Cb -0.13 -3.94 0.08 0.00 0.06 0.00 0.00 34.95 31.03 2joq s ARG 22 CO -0.11 -1.34 0.21 0.08 -2.50 0.00 0.00 175.30 171.64 2joq s VAL 23 N 4.13 3.84 -0.50 7.11 1.01 0.04 -1.07 120.40 134.95 2joq s VAL 23 Ca 0.41 -1.56 -0.15 0.00 0.00 0.00 0.00 61.98 60.68 2joq s VAL 23 Cb -0.09 -3.40 0.10 0.00 0.00 0.00 0.00 36.38 33.00 2joq s VAL 23 CO 0.28 -0.50 0.43 -0.63 0.00 0.00 0.00 175.10 174.67 2joq s ILE 24 N 1.33 5.04 0.22 2.22 1.01 -0.57 -0.33 121.20 130.13 2joq s ILE 24 Ca 0.03 -1.36 0.09 0.00 0.00 0.00 0.00 60.65 59.41 2joq s ILE 24 Cb -0.23 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 2joq s ILE 24 CO 0.00 -0.72 -0.02 -0.04 0.00 0.00 0.00 174.94 174.16 2joq s MET 25 N 1.58 2.29 -0.37 2.79 -1.94 -0.77 -1.14 119.30 121.74 2joq s MET 25 Ca 0.04 -1.30 0.02 0.00 -1.71 0.00 0.00 55.69 52.74 2joq s MET 25 Cb -0.27 -2.22 0.47 0.00 2.01 0.00 0.00 34.83 34.82 2joq s MET 25 CO 0.04 0.40 1.76 0.25 -0.01 0.00 0.00 175.02 177.46 2joq n THR 26 N -0.50 2.77 -3.66 2.05 -2.24 -0.57 -0.25 114.28 111.87 2joq n THR 26 Ca -0.08 -1.62 -0.13 0.00 -2.27 0.00 0.00 64.05 59.96 2joq n THR 26 Cb 0.57 -0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 68.00 2joq n THR 26 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2joq s THR 27 N -2.70 0.06 -1.12 4.28 -1.32 -1.26 -4.95 115.64 108.62 2joq s THR 27 Ca 0.44 -0.46 0.24 0.00 -1.21 0.00 0.00 61.69 60.69 2joq s THR 27 Cb 0.36 -0.98 -0.05 0.00 -1.51 0.00 0.00 72.50 70.33 2joq s THR 27 CO 0.06 -0.26 1.24 0.29 -2.21 0.00 0.00 174.62 173.74 2joq n LYS 28 N 0.42 0.14 -2.67 7.08 4.76 -1.26 -4.75 118.16 121.89 2joq n LYS 28 Ca -0.18 -0.10 -0.42 0.00 -2.87 0.00 0.00 58.31 54.74 2joq n LYS 28 Cb 0.60 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.28 2joq n LYS 28 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2joq s ASP 29 N -2.93 6.69 -0.60 4.39 2.15 -1.26 -4.93 116.67 120.18 2joq s ASP 29 Ca 0.12 -2.03 -0.20 0.00 0.43 0.00 0.00 52.55 50.87 2joq s ASP 29 Cb 0.17 -2.53 0.09 0.00 -0.30 0.00 0.00 42.92 40.36 2joq s ASP 29 CO 0.74 -1.25 0.77 0.28 -0.17 0.00 0.00 175.17 175.53 2joq s THR 30 N 4.00 4.70 0.09 1.71 -1.32 -1.26 -4.77 115.64 118.79 2joq s THR 30 Ca 0.46 -0.80 0.00 0.00 -1.21 0.00 0.00 61.69 60.14 2joq s THR 30 Cb 0.00 -4.53 0.00 0.00 -1.51 0.00 0.00 72.50 66.46 2joq s THR 30 CO -0.03 -1.19 0.00 -1.54 -2.21 0.00 0.00 174.62 169.65 2joq n SER 31 N 6.67 0.43 -0.24 8.08 3.41 -1.26 -4.67 113.62 126.04 2joq n SER 31 Ca -0.08 0.15 0.18 0.00 -0.26 0.00 0.00 58.87 58.86 2joq n SER 31 Cb 0.43 -0.07 0.50 0.00 -0.26 0.00 0.00 64.21 64.81 2joq n SER 31 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2joq h THR 32 N 0.00 0.70 0.34 6.66 2.02 -1.99 -0.92 112.91 119.73 2joq h THR 32 Ca 0.00 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 2joq h THR 32 Cb 0.00 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 2joq h THR 32 CO 0.00 0.08 -0.24 0.25 0.37 0.00 0.00 175.52 175.98 2joq h LEU 33 N 0.44 -0.60 -0.75 2.58 5.85 -1.93 -2.22 115.31 118.69 2joq h LEU 33 Ca 0.46 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 59.15 2joq h LEU 33 Cb 1.10 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 2joq h LEU 33 CO -0.18 -0.37 0.18 0.11 -0.34 0.00 0.00 178.44 177.85 2joq h LYS 34 N -0.57 1.13 -0.35 1.25 1.57 -1.52 -2.82 116.57 115.26 2joq h LYS 34 Ca -0.03 -0.26 0.06 0.00 -1.87 0.00 0.00 60.65 58.55 2joq h LYS 34 Cb 0.48 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 2joq h LYS 34 CO 0.02 0.99 0.02 0.93 -0.57 0.00 0.00 179.45 180.83 2joq h GLU 35 N 1.08 0.12 -0.20 3.15 4.39 -1.03 0.19 114.58 122.27 2joq h GLU 35 Ca 0.23 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.86 2joq h GLU 35 Cb 0.36 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2joq h GLU 35 CO 0.00 0.08 -0.12 1.37 -1.16 0.00 0.00 179.01 179.18 2joq h LEU 36 N 0.12 0.30 -0.37 1.33 8.10 -1.25 -1.60 115.31 121.94 2joq h LEU 36 Ca 0.17 -0.06 -0.12 0.00 0.11 0.00 0.00 57.88 57.98 2joq h LEU 36 Cb 0.23 -0.08 -0.01 0.00 -0.44 0.00 0.00 40.66 40.36 2joq h LEU 36 CO -0.27 0.45 -0.24 -0.07 -4.11 0.00 0.00 178.44 174.20 2joq h LEU 37 N 0.30 0.85 -0.80 0.17 3.38 -0.96 -3.19 115.31 115.06 2joq h LEU 37 Ca 0.06 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 2joq h LEU 37 Cb 0.40 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2joq h LEU 37 CO 0.02 1.10 -0.03 -0.33 0.09 0.00 0.00 178.44 179.29 2joq h GLU 38 N 0.61 0.00 0.00 1.13 5.08 -0.03 -2.85 114.58 118.52 2joq h GLU 38 Ca 0.07 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2joq h GLU 38 Cb 0.81 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 2joq h GLU 38 CO 0.07 0.03 -0.14 1.79 -1.00 0.00 0.00 179.01 179.75 2joq h THR 39 N 0.00 0.92 0.00 1.13 1.35 -1.30 0.14 112.91 115.16 2joq h THR 39 Ca -0.00 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 2joq h THR 39 Cb 0.75 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 2joq h THR 39 CO 0.00 0.14 0.00 -1.22 -0.25 0.00 0.00 175.52 174.19 2joq n TYR 40 N -4.12 0.00 -2.25 4.73 4.02 -1.08 -4.88 117.16 113.58 2joq n TYR 40 Ca -0.02 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.66 2joq n TYR 40 Cb 0.22 -0.48 -0.02 0.00 -0.02 0.00 0.00 39.34 39.04 2joq n TYR 40 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2joq n GLN 41 N -1.48 -1.58 -4.32 -0.72 1.13 0.51 -4.99 117.38 105.93 2joq n GLN 41 Ca 0.06 1.02 -0.25 0.00 -1.94 0.00 0.00 57.00 55.89 2joq n GLN 41 Cb 0.25 -5.60 -0.09 0.00 0.11 0.00 0.00 30.24 24.92 2joq n GLN 41 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 2joq s ARG 42 N -4.79 2.09 0.71 -1.09 1.70 -1.26 -5.11 118.95 111.21 2joq s ARG 42 Ca 0.00 -1.40 -0.12 0.00 -0.47 0.00 0.00 55.73 53.73 2joq s ARG 42 Cb 0.00 -2.10 0.02 0.00 -0.57 0.00 0.00 34.95 32.30 2joq s ARG 42 CO 0.00 0.39 1.09 -1.25 -1.08 0.00 0.00 175.30 174.45 2joq s PRO 43 N -3.27 2.65 0.17 3.89 0.04 -1.26 -4.74 135.00 132.48 2joq s PRO 43 Ca 0.28 1.18 -0.15 0.00 0.04 0.00 0.00 61.00 62.35 2joq s PRO 43 Cb -0.07 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.54 2joq s PRO 43 CO 0.17 -1.34 0.43 -0.59 0.04 0.00 0.00 177.00 175.71 2joq s PHE 44 N -2.74 -0.02 -0.35 0.56 -0.71 -1.26 -4.24 117.98 109.22 2joq s PHE 44 Ca 0.62 -0.33 -0.01 0.00 -1.04 0.00 0.00 56.93 56.18 2joq s PHE 44 Cb -0.17 0.25 0.09 0.00 -1.21 0.00 0.00 43.02 41.97 2joq s PHE 44 CO 0.50 -0.81 0.09 0.21 -1.34 0.00 0.00 175.22 173.87 2joq s LYS 45 N -3.88 2.03 -0.26 1.99 2.20 0.67 -4.96 119.74 117.53 2joq s LYS 45 Ca 0.09 -1.63 -0.19 0.00 -0.36 0.00 0.00 55.97 53.88 2joq s LYS 45 Cb 0.01 -3.34 -0.02 0.00 -1.51 0.00 0.00 37.83 32.97 2joq s LYS 45 CO -0.05 -0.87 0.56 -1.17 -0.36 0.00 0.00 175.35 173.46 2joq s LEU 46 N 1.12 4.06 -0.00 5.43 2.96 -1.26 -1.37 118.68 129.61 2joq s LEU 46 Ca 0.04 0.61 0.06 0.00 -0.22 0.00 0.00 54.13 54.61 2joq s LEU 46 Cb -0.21 -2.75 -0.02 0.00 0.50 0.00 0.00 46.19 43.72 2joq s LEU 46 CO -0.04 -0.32 -0.18 -1.61 -1.32 0.00 0.00 176.35 172.88 2joq s GLU 47 N 2.37 1.40 -0.36 1.98 2.02 -0.08 -5.00 118.70 121.03 2joq s GLU 47 Ca 0.23 -0.67 -0.07 0.00 0.02 0.00 0.00 54.97 54.48 2joq s GLU 47 Cb -0.16 -1.37 0.05 0.00 0.10 0.00 0.00 34.13 32.75 2joq s GLU 47 CO 0.09 0.37 0.15 0.12 0.02 0.00 0.00 175.26 176.01 2joq s PHE 48 N -0.48 3.30 -0.01 1.61 5.36 -1.26 -0.37 117.98 126.12 2joq s PHE 48 Ca 0.07 -1.53 -0.03 0.00 -0.96 0.00 0.00 56.93 54.48 2joq s PHE 48 Cb -0.07 -2.51 -0.02 0.00 -0.34 0.00 0.00 43.02 40.08 2joq s PHE 48 CO -0.00 -0.78 0.34 0.87 -1.46 0.00 0.00 175.22 174.19 2joq h LYS 49 N 8.25 -0.10 -1.80 10.12 1.79 -1.53 -3.49 116.57 129.81 2joq h LYS 49 Ca -0.22 0.01 0.15 0.00 -2.18 0.00 0.00 60.65 58.41 2joq h LYS 49 Cb 1.08 0.02 -0.19 0.00 -1.58 0.00 0.00 32.23 31.56 2joq h LYS 49 CO 0.65 -0.06 0.63 1.21 -1.08 0.00 0.00 179.45 180.79 2joq s ASN 50 N -3.29 -0.28 0.18 0.86 3.84 -1.24 -5.05 114.94 109.96 2joq s ASN 50 Ca -0.01 0.10 -0.15 0.00 0.21 0.00 0.00 52.86 53.00 2joq s ASN 50 Cb 0.00 0.27 -0.07 0.00 -0.55 0.00 0.00 41.25 40.90 2joq s ASN 50 CO 0.04 -0.40 0.60 0.28 -2.79 0.00 0.00 177.10 174.83 2joq s THR 51 N -2.31 4.79 -1.01 -5.21 -1.32 -1.26 -2.09 115.64 107.23 2joq s THR 51 Ca 0.05 0.91 -0.24 0.00 -1.21 0.00 0.00 61.69 61.19 2joq s THR 51 Cb -0.01 -3.75 -0.07 0.00 -1.51 0.00 0.00 72.50 67.17 2joq s THR 51 CO -0.05 0.19 1.96 -0.44 -2.21 0.00 0.00 174.62 174.07 2joq s SER 52 N -1.78 5.02 0.00 8.08 0.01 0.56 -4.77 113.70 120.82 2joq s SER 52 Ca 0.41 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.65 2joq s SER 52 Cb -0.15 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.51 2joq s SER 52 CO 0.20 -2.95 0.00 0.29 0.41 0.00 0.00 173.24 171.19 2joq n LYS 53 N 8.63 0.00 -0.12 12.44 5.02 -1.26 -2.32 118.16 140.56 2joq n LYS 53 Ca 0.42 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.70 2joq n LYS 53 Cb 0.47 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.51 2joq n LYS 53 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2joq n ASN 54 N 0.67 2.15 -1.65 4.39 5.15 -1.26 -4.77 115.26 119.93 2joq n ASN 54 Ca 0.00 -2.14 -0.21 0.00 -0.60 0.00 0.00 54.58 51.64 2joq n ASN 54 Cb 0.00 -0.53 -0.08 0.00 -0.53 0.00 0.00 39.78 38.64 2joq n ASN 54 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2joq n ALA 55 N 0.17 -0.34 -0.12 5.20 0.00 -0.98 -4.85 120.51 119.60 2joq n ALA 55 Ca 0.05 0.33 -0.13 0.00 0.00 0.00 0.00 53.44 53.68 2joq n ALA 55 Cb 0.47 -2.06 -0.02 0.00 0.00 0.00 0.00 19.45 17.84 2joq n ALA 55 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2joq h LYS 56 N 0.00 0.94 -5.02 0.00 1.63 -1.85 -3.45 116.57 108.82 2joq h LYS 56 Ca -0.43 -0.50 -0.35 0.00 -0.85 0.00 0.00 60.65 58.52 2joq h LYS 56 Cb 1.35 0.02 -0.21 0.00 -0.60 0.00 0.00 32.23 32.80 2joq h LYS 56 CO 0.62 1.15 -0.76 -0.06 -3.45 0.00 0.00 179.45 176.96 2joq s PHE 57 N -4.38 1.01 -0.23 1.91 0.08 -1.26 -4.75 117.98 110.35 2joq s PHE 57 Ca -0.11 -0.51 0.01 0.00 0.12 0.00 0.00 56.93 56.43 2joq s PHE 57 Cb 0.11 -0.57 0.04 0.00 -0.57 0.00 0.00 43.02 42.02 2joq s PHE 57 CO 0.88 0.00 -0.11 0.71 -0.10 0.00 0.00 175.22 176.60 2joq s TYR 58 N -1.54 3.05 -0.41 0.36 2.02 0.66 -0.32 117.35 121.17 2joq s TYR 58 Ca -0.03 -1.82 -0.23 0.00 -0.37 0.00 0.00 57.07 54.61 2joq s TYR 58 Cb -0.09 -1.98 0.02 0.00 -0.40 0.00 0.00 41.96 39.51 2joq s TYR 58 CO 0.01 -0.80 0.79 -1.12 -1.57 0.00 0.00 175.55 172.86 2joq s SER 59 N 1.24 6.48 0.22 2.29 0.01 -0.89 -1.85 113.70 121.20 2joq s SER 59 Ca -0.01 0.12 0.06 0.00 1.31 0.00 0.00 55.95 57.42 2joq s SER 59 Cb -0.17 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 2joq s SER 59 CO -0.07 -0.83 0.18 -0.36 0.41 0.00 0.00 173.24 172.57 2joq s PHE 60 N 3.21 3.14 -0.06 2.43 0.08 0.56 -1.26 117.98 126.07 2joq s PHE 60 Ca 0.31 -0.07 -0.01 0.00 0.12 0.00 0.00 56.93 57.28 2joq s PHE 60 Cb -0.13 -1.45 0.03 0.00 -0.57 0.00 0.00 43.02 40.90 2joq s PHE 60 CO 0.20 0.52 0.00 1.21 -0.10 0.00 0.00 175.22 177.05 2joq s ASN 61 N -3.57 1.36 -0.22 1.36 2.47 0.50 -0.78 114.94 116.05 2joq s ASN 61 Ca 0.32 -0.07 -0.03 0.00 0.42 0.00 0.00 52.86 53.50 2joq s ASN 61 Cb -0.09 -0.40 -0.00 0.00 -1.45 0.00 0.00 41.25 39.31 2joq s ASN 61 CO 0.25 -0.17 -0.06 -0.69 -3.72 0.00 0.00 177.10 172.70 2joq s VAL 62 N 1.76 3.18 -0.36 -5.21 1.01 -0.02 -0.90 120.40 119.87 2joq s VAL 62 Ca 0.02 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 2joq s VAL 62 Cb -0.13 -2.46 0.04 0.00 0.00 0.00 0.00 36.38 33.84 2joq s VAL 62 CO -0.04 0.41 0.16 -0.44 0.00 0.00 0.00 175.10 175.19 2joq s SER 63 N 1.44 5.52 0.12 3.32 0.01 -0.47 0.13 113.70 123.77 2joq s SER 63 Ca 0.05 -1.14 0.02 0.00 1.31 0.00 0.00 55.95 56.20 2joq s SER 63 Cb -0.14 -1.94 -0.04 0.00 0.21 0.00 0.00 66.02 64.10 2joq s SER 63 CO -0.04 -0.38 -0.07 0.00 0.41 0.00 0.00 173.24 173.16 2joq s MET 64 N 1.46 0.92 0.42 12.44 0.23 -0.58 -0.24 119.30 133.95 2joq s MET 64 Ca 0.00 -1.39 -0.24 0.00 -1.03 0.00 0.00 55.69 53.04 2joq s MET 64 Cb -0.20 -0.32 -0.08 0.00 -1.53 0.00 0.00 34.83 32.70 2joq s MET 64 CO 0.04 -0.01 1.09 -1.21 -2.03 0.00 0.00 175.02 172.91 2joq s GLU 65 N -3.82 4.03 -0.05 3.16 2.02 -1.26 -0.31 118.70 122.47 2joq s GLU 65 Ca 0.14 1.61 0.01 0.00 0.02 0.00 0.00 54.97 56.75 2joq s GLU 65 Cb 0.05 -2.51 0.02 0.00 0.10 0.00 0.00 34.13 31.79 2joq s GLU 65 CO -0.02 -0.28 -0.04 0.14 0.02 0.00 0.00 175.26 175.07 2joq s VAL 66 N -1.61 0.55 -0.19 2.63 -7.23 -0.02 -4.86 120.40 109.68 2joq s VAL 66 Ca 0.60 -0.10 0.16 0.00 -1.81 0.00 0.00 61.98 60.83 2joq s VAL 66 Cb -0.25 -0.60 0.07 0.00 0.56 0.00 0.00 36.38 36.17 2joq s VAL 66 CO 0.30 0.24 1.38 -1.28 -0.31 0.00 0.00 175.10 175.44 2joq h SER 67 N 7.42 0.00 -5.13 4.85 0.87 -1.95 -2.35 113.55 117.27 2joq h SER 67 Ca -0.34 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.28 2joq h SER 67 Cb 1.15 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.08 2joq h SER 67 CO 0.43 0.44 0.36 0.54 -0.53 0.00 0.00 176.83 178.07 2joq s ASN 68 N -6.33 -0.07 0.38 6.23 2.20 -1.26 -4.11 114.94 111.99 2joq s ASN 68 Ca 0.03 -0.85 0.11 0.00 -0.94 0.00 0.00 52.86 51.21 2joq s ASN 68 Cb 0.07 0.71 0.76 0.00 -2.00 0.00 0.00 41.25 40.79 2joq s ASN 68 CO 0.75 -1.38 1.87 -0.08 -2.94 0.00 0.00 177.10 175.32 2joq h GLU 69 N 2.00 0.12 -0.80 3.55 4.81 -2.00 -2.43 114.58 119.84 2joq h GLU 69 Ca -0.28 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 58.98 2joq h GLU 69 Cb 1.24 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.55 2joq h GLU 69 CO 0.34 0.37 0.48 1.03 -0.73 0.00 0.00 179.01 180.51 2joq h SER 70 N 0.11 0.75 -0.10 1.04 0.87 -1.99 -1.33 113.55 112.90 2joq h SER 70 Ca 0.02 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 2joq h SER 70 Cb 0.52 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2joq h SER 70 CO 0.04 0.48 -0.04 -0.33 -0.53 0.00 0.00 176.83 176.45 2joq h GLU 71 N 0.88 0.20 -0.63 2.24 5.08 -1.85 -0.63 114.58 119.88 2joq h GLU 71 Ca 0.35 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.65 2joq h GLU 71 Cb 0.17 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 2joq h GLU 71 CO -0.17 0.54 0.42 0.07 -1.00 0.00 0.00 179.01 178.86 2joq h ARG 72 N -0.14 0.77 -0.13 2.33 0.11 -1.28 0.13 114.38 116.18 2joq h ARG 72 Ca 0.02 -0.05 -0.15 0.00 0.10 0.00 0.00 59.98 59.91 2joq h ARG 72 Cb 0.47 -0.17 0.01 0.00 1.11 0.00 0.00 29.97 31.38 2joq h ARG 72 CO 0.01 0.51 -0.51 -0.91 0.10 0.00 0.00 179.97 179.17 2joq h ASN 73 N 0.79 0.67 0.15 0.08 2.35 -1.19 -0.96 115.58 117.47 2joq h ASN 73 Ca 0.24 -0.62 0.01 0.00 -0.55 0.00 0.00 56.30 55.38 2joq h ASN 73 Cb 0.00 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 2joq h ASN 73 CO -0.06 1.18 -0.19 -0.08 -1.65 0.00 0.00 177.43 176.63 2joq h GLU 74 N 0.20 -0.37 -0.48 0.81 4.81 -0.30 -1.87 114.58 117.38 2joq h GLU 74 Ca -0.03 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2joq h GLU 74 Cb 1.15 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 2joq h GLU 74 CO 0.11 -0.25 0.28 0.82 -0.73 0.00 0.00 179.01 179.23 2joq h ILE 75 N -0.39 1.03 -0.98 2.32 2.04 -0.81 -2.05 117.51 118.66 2joq h ILE 75 Ca 0.01 -0.19 0.16 0.00 1.00 0.00 0.00 64.86 65.84 2joq h ILE 75 Cb 0.39 0.43 -0.09 0.00 -0.74 0.00 0.00 36.82 36.81 2joq h ILE 75 CO -0.08 0.10 0.62 0.15 0.00 0.00 0.00 178.15 178.94 2joq h PHE 76 N 0.55 1.03 -0.20 1.37 3.57 -0.87 -0.35 116.94 122.04 2joq h PHE 76 Ca 0.20 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.59 2joq h PHE 76 Cb 0.04 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.46 2joq h PHE 76 CO -0.07 0.32 -0.40 1.96 -2.23 0.00 0.00 178.31 177.88 2joq h GLN 77 N 0.81 0.62 -0.61 1.11 4.20 -0.67 -3.15 115.11 117.43 2joq h GLN 77 Ca 0.53 -0.40 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 2joq h GLN 77 Cb 0.75 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.55 2joq h GLN 77 CO -0.30 1.02 0.14 0.87 -0.67 0.00 0.00 178.83 179.89 2joq h LYS 78 N 0.30 0.95 -0.00 1.46 1.57 -0.70 -1.68 116.57 118.47 2joq h LYS 78 Ca 0.01 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2joq h LYS 78 Cb 1.00 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 2joq h LYS 78 CO 0.09 0.85 0.00 0.82 -0.57 0.00 0.00 179.45 180.64 2joq h ILE 79 N 0.91 0.92 0.00 1.86 2.04 -1.09 0.01 117.51 122.16 2joq h ILE 79 Ca 0.19 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.05 2joq h ILE 79 Cb 0.34 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 2joq h ILE 79 CO 0.00 0.00 -0.41 -1.28 0.00 0.00 0.00 178.15 176.46 2joq h SER 80 N 0.00 0.00 0.00 1.72 0.87 -1.28 -3.32 113.55 111.54 2joq h SER 80 Ca 0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2joq h SER 80 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2joq h SER 80 CO -0.00 0.02 0.00 0.00 -0.53 0.00 0.00 176.83 176.32 2joq n GLN 81 N -2.71 0.98 0.15 2.24 6.02 -0.01 -3.10 117.38 120.95 2joq n GLN 81 Ca 0.03 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.05 2joq n GLN 81 Cb 0.51 -1.14 0.11 0.00 1.02 0.00 0.00 30.24 30.73 2joq n GLN 81 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2joq h LEU 82 N 0.00 0.00 0.00 1.08 3.38 -1.66 -3.47 115.31 114.64 2joq h LEU 82 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2joq h LEU 82 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2joq h LEU 82 CO 0.00 0.47 0.00 -0.67 0.09 0.00 0.00 178.44 178.33 2joq n ASP 83 N -3.29 0.00 0.08 -0.43 2.03 -1.18 -4.62 116.55 109.14 2joq n ASP 83 Ca 0.01 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.42 2joq n ASP 83 Cb 0.68 0.00 0.40 0.00 -0.72 0.00 0.00 41.12 41.47 2joq n ASP 83 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2joq n LYS 84 N 0.00 0.10 -3.56 -0.67 5.02 -1.26 -4.65 118.16 113.14 2joq n LYS 84 Ca 0.00 0.39 -0.37 0.00 -2.02 0.00 0.00 58.31 56.31 2joq n LYS 84 Cb 0.00 -1.72 -0.06 0.00 -0.02 0.00 0.00 35.03 33.23 2joq n LYS 84 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2joq s VAL 85 N -3.20 5.23 -0.16 -0.18 0.11 -1.26 -1.52 120.40 119.42 2joq s VAL 85 Ca 0.04 0.62 0.19 0.00 -2.93 0.00 0.00 61.98 59.90 2joq s VAL 85 Cb 0.08 -3.64 -0.26 0.00 -1.53 0.00 0.00 36.38 31.03 2joq s VAL 85 CO 0.29 0.49 0.19 1.33 -3.33 0.00 0.00 175.10 174.07 2joq n VAL 86 N 2.72 1.12 -3.69 2.04 0.24 -0.29 -4.97 118.33 115.51 2joq n VAL 86 Ca -0.14 -0.78 -0.10 0.00 -2.04 0.00 0.00 64.34 61.28 2joq n VAL 86 Cb 0.52 -0.40 -0.11 0.00 -1.47 0.00 0.00 33.84 32.39 2joq n VAL 86 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2joq s GLN 87 N -2.71 0.37 -0.19 7.34 0.74 -1.13 -5.07 119.66 119.01 2joq s GLN 87 Ca -0.09 0.79 0.01 0.00 0.05 0.00 0.00 55.36 56.12 2joq s GLN 87 Cb 0.08 0.00 0.03 0.00 1.10 0.00 0.00 33.01 34.22 2joq s GLN 87 CO 0.84 -0.17 -0.18 0.95 -0.55 0.00 0.00 175.29 176.19 2joq s THR 88 N 1.53 2.02 -0.40 -0.34 -4.23 -1.26 -1.52 115.64 111.43 2joq s THR 88 Ca -0.09 -1.03 -0.08 0.00 -1.18 0.00 0.00 61.69 59.32 2joq s THR 88 Cb -0.09 -1.89 0.08 0.00 1.34 0.00 0.00 72.50 71.94 2joq s THR 88 CO -0.12 0.43 0.23 -0.76 -0.54 0.00 0.00 174.62 173.85 2joq s LEU 89 N 1.28 5.02 -0.02 4.79 2.01 -0.23 -4.88 118.68 126.65 2joq s LEU 89 Ca 0.02 -1.51 0.21 0.00 0.01 0.00 0.00 54.13 52.86 2joq s LEU 89 Cb -0.14 -1.95 -0.30 0.00 0.01 0.00 0.00 46.19 43.81 2joq s LEU 89 CO -0.11 -0.50 0.56 0.61 1.01 0.00 0.00 176.35 177.91 2joq n GLY 90 N 4.86 -0.96 0.00 -3.19 0.00 -1.26 -0.90 105.19 103.74 2joq n GLY 90 Ca -0.10 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2joq n GLY 90 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18