#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2joq n GLY 2 N 0.00 3.04 3.30 1.08 0.00 -1.26 -5.03 105.19 106.32 2joq n GLY 2 Ca 0.00 -1.46 -0.46 0.00 0.00 0.00 0.00 46.02 44.10 2joq n GLY 2 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2joq s HIS 3 N -2.00 3.60 0.06 1.61 -3.43 -1.26 -5.06 115.29 108.82 2joq s HIS 3 Ca 0.00 -1.86 -0.27 0.00 -0.80 0.00 0.00 55.06 52.13 2joq s HIS 3 Cb 0.00 -3.76 -0.05 0.00 -1.43 0.00 0.00 32.58 27.34 2joq s HIS 3 CO 0.00 -0.99 0.85 -1.64 -2.00 0.00 0.00 174.74 170.97 2joq s MET 4 N 0.56 4.58 -0.35 -0.38 -1.94 -1.26 -5.00 119.30 115.50 2joq s MET 4 Ca 0.14 1.23 -0.29 0.00 -1.71 0.00 0.00 55.69 55.06 2joq s MET 4 Cb -0.16 -3.38 -0.00 0.00 2.01 0.00 0.00 34.83 33.30 2joq s MET 4 CO -0.05 0.23 1.50 -1.25 -0.01 0.00 0.00 175.02 175.44 2joq s PRO 5 N 0.06 3.61 0.05 2.03 0.04 -1.26 -4.96 135.00 134.57 2joq s PRO 5 Ca 0.43 1.19 -0.31 0.00 0.04 0.00 0.00 61.00 62.35 2joq s PRO 5 Cb -0.22 -4.04 -0.10 0.00 0.04 0.00 0.00 34.50 30.19 2joq s PRO 5 CO 0.26 -1.52 1.93 0.43 0.04 0.00 0.00 177.00 178.14 2joq n SER 6 N 8.88 4.07 -4.80 6.66 7.64 -1.26 -4.96 113.62 129.84 2joq n SER 6 Ca 0.18 0.93 -0.30 0.00 1.01 0.00 0.00 58.87 60.69 2joq n SER 6 Cb 0.47 -1.52 0.10 0.00 -1.01 0.00 0.00 64.21 62.25 2joq n SER 6 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2joq s ASP 7 N 3.96 4.27 0.33 6.43 2.15 -1.26 -4.96 116.67 127.59 2joq s ASP 7 Ca 0.88 1.21 0.11 0.00 0.43 0.00 0.00 52.55 55.17 2joq s ASP 7 Cb -0.47 -1.90 0.56 0.00 -0.30 0.00 0.00 42.92 40.81 2joq s ASP 7 CO 0.42 -2.10 1.74 -1.28 -0.17 0.00 0.00 175.17 173.78 2joq h SER 8 N -1.18 0.05 -3.40 -0.34 0.87 -2.03 -3.44 113.55 104.09 2joq h SER 8 Ca -0.48 -0.02 -0.55 0.00 -1.23 0.00 0.00 61.79 59.51 2joq h SER 8 Cb 1.28 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 63.19 2joq h SER 8 CO 0.60 0.50 -0.02 -0.54 -0.53 0.00 0.00 176.83 176.84 2joq s LYS 9 N -4.02 4.08 0.19 2.24 -0.14 -1.26 -4.81 119.74 116.02 2joq s LYS 9 Ca -0.03 0.63 0.00 0.00 -1.36 0.00 0.00 55.97 55.21 2joq s LYS 9 Cb 0.14 -2.93 0.00 0.00 -1.68 0.00 0.00 37.83 33.36 2joq s LYS 9 CO 0.75 0.46 0.00 1.63 -0.76 0.00 0.00 175.35 177.42 2joq n LYS 10 N 0.81 -3.08 -1.76 1.68 4.01 -1.26 -4.93 118.16 113.62 2joq n LYS 10 Ca -0.04 2.27 -0.40 0.00 -0.51 0.00 0.00 58.31 59.63 2joq n LYS 10 Cb 0.51 -2.42 0.02 0.00 -0.51 0.00 0.00 35.03 32.64 2joq n LYS 10 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 2joq n PRO 11 N 0.39 2.24 -2.11 1.97 -0.02 -1.26 -4.85 135.00 131.36 2joq n PRO 11 Ca 0.00 0.80 -0.43 0.00 -2.02 0.00 0.00 63.50 61.85 2joq n PRO 11 Cb 0.00 -2.64 -0.02 0.00 -0.02 0.00 0.00 33.50 30.81 2joq n PRO 11 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2joq s THR 12 N -1.20 3.62 0.20 3.45 2.01 -1.26 -4.97 115.64 117.50 2joq s THR 12 Ca 0.62 0.64 -0.27 0.00 0.31 0.00 0.00 61.69 62.98 2joq s THR 12 Cb -0.44 -3.82 -0.08 0.00 0.01 0.00 0.00 72.50 68.16 2joq s THR 12 CO 0.57 -0.51 0.85 -0.63 -0.69 0.00 0.00 174.62 174.21 2joq s ILE 13 N 6.31 4.25 -0.19 1.82 -1.09 -1.26 -5.03 121.20 126.01 2joq s ILE 13 Ca 0.74 1.85 -0.15 0.00 -2.23 0.00 0.00 60.65 60.86 2joq s ILE 13 Cb -0.20 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.44 2joq s ILE 13 CO 0.33 0.49 0.35 -0.63 -1.23 0.00 0.00 174.94 174.26 2joq s ILE 14 N -1.19 5.24 0.01 2.92 -1.09 -1.26 -5.07 121.20 120.76 2joq s ILE 14 Ca 0.38 0.63 0.03 0.00 -2.23 0.00 0.00 60.65 59.46 2joq s ILE 14 Cb -0.24 -3.69 -0.01 0.00 -1.58 0.00 0.00 42.46 36.94 2joq s ILE 14 CO 0.28 0.30 -0.10 -0.31 -1.23 0.00 0.00 174.94 173.89 2joq s TYR 15 N 1.02 0.85 0.56 3.97 2.02 -1.26 -4.00 117.35 120.50 2joq s TYR 15 Ca 0.18 -0.22 -0.17 0.00 -0.37 0.00 0.00 57.07 56.48 2joq s TYR 15 Cb -0.14 -0.53 -0.05 0.00 -0.40 0.00 0.00 41.96 40.83 2joq s TYR 15 CO 0.07 -0.01 1.06 -2.14 -1.57 0.00 0.00 175.55 172.95 2joq s PRO 16 N -0.50 3.47 0.14 -1.71 0.02 -1.25 -4.98 135.00 130.19 2joq s PRO 16 Ca 0.02 1.29 -0.24 0.00 0.02 0.00 0.00 61.00 62.08 2joq s PRO 16 Cb -0.05 -2.05 0.07 0.00 0.02 0.00 0.00 34.50 32.49 2joq s PRO 16 CO -0.00 -0.70 0.67 0.00 -0.33 0.00 0.00 177.00 176.64 2joq s LEU 18 N -2.72 3.45 0.17 0.00 1.43 -1.26 -0.89 118.68 118.86 2joq s LEU 18 Ca 0.03 0.84 -0.10 0.00 -1.03 0.00 0.00 54.13 53.86 2joq s LEU 18 Cb -0.01 -3.20 -0.07 0.00 0.03 0.00 0.00 46.19 42.94 2joq s LEU 18 CO -0.10 -1.84 0.50 0.86 0.23 0.00 0.00 176.35 176.00 2joq s TRP 19 N 7.13 3.51 -0.12 0.29 -0.11 0.37 -4.83 118.94 125.18 2joq s TRP 19 Ca 0.70 0.87 -0.05 0.00 1.22 0.00 0.00 56.10 58.84 2joq s TRP 19 Cb -0.17 -2.24 -0.04 0.00 -1.50 0.00 0.00 33.47 29.52 2joq s TRP 19 CO 0.29 0.38 0.08 0.34 -4.62 0.00 0.00 176.95 173.42 2joq s ASP 20 N -2.08 5.89 -0.23 5.86 2.15 -1.26 -2.12 116.67 124.87 2joq s ASP 20 Ca 0.41 0.30 -0.02 0.00 0.43 0.00 0.00 52.55 53.68 2joq s ASP 20 Cb -0.13 -1.84 0.07 0.00 -0.30 0.00 0.00 42.92 40.72 2joq s ASP 20 CO 0.20 0.37 0.04 -0.31 -0.17 0.00 0.00 175.17 175.30 2joq s TYR 21 N -0.79 1.38 -0.45 -5.34 2.02 0.11 -4.61 117.35 109.67 2joq s TYR 21 Ca 0.13 -1.22 -0.27 0.00 -0.37 0.00 0.00 57.07 55.34 2joq s TYR 21 Cb -0.12 -1.29 0.03 0.00 -0.40 0.00 0.00 41.96 40.18 2joq s TYR 21 CO 0.03 -0.71 0.99 0.50 -1.57 0.00 0.00 175.55 174.79 2joq s ARG 22 N 1.74 3.64 -0.27 -0.62 6.06 0.61 -0.29 118.95 129.81 2joq s ARG 22 Ca 0.02 0.35 -0.06 0.00 -2.50 0.00 0.00 55.73 53.54 2joq s ARG 22 Cb -0.17 -3.90 -0.00 0.00 0.06 0.00 0.00 34.95 30.93 2joq s ARG 22 CO -0.13 -1.23 0.05 0.08 -2.50 0.00 0.00 175.30 171.56 2joq s VAL 23 N 3.93 3.87 -0.33 7.11 1.01 -0.23 -0.65 120.40 135.12 2joq s VAL 23 Ca 0.41 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.77 2joq s VAL 23 Cb -0.09 -2.91 0.03 0.00 0.00 0.00 0.00 36.38 33.41 2joq s VAL 23 CO 0.27 0.21 0.10 -0.63 0.00 0.00 0.00 175.10 175.05 2joq s ILE 24 N 1.51 3.82 0.33 2.22 1.01 -0.38 0.03 121.20 129.74 2joq s ILE 24 Ca 0.04 -1.01 0.10 0.00 0.00 0.00 0.00 60.65 59.78 2joq s ILE 24 Cb -0.16 -3.11 -0.06 0.00 0.01 0.00 0.00 42.46 39.15 2joq s ILE 24 CO 0.01 -0.10 -0.09 -0.04 0.00 0.00 0.00 174.94 174.72 2joq s MET 25 N 1.43 1.87 -0.23 2.79 -1.94 -0.95 -0.99 119.30 121.28 2joq s MET 25 Ca -0.00 -1.84 0.12 0.00 -1.71 0.00 0.00 55.69 52.26 2joq s MET 25 Cb -0.19 -1.79 0.74 0.00 2.01 0.00 0.00 34.83 35.60 2joq s MET 25 CO 0.03 0.19 1.65 0.25 -0.01 0.00 0.00 175.02 177.13 2joq n THR 26 N -0.80 2.56 -3.82 2.05 -2.24 -0.92 -0.44 114.28 110.66 2joq n THR 26 Ca -0.05 -1.31 -0.11 0.00 -2.27 0.00 0.00 64.05 60.32 2joq n THR 26 Cb 0.62 -0.32 -0.08 0.00 -2.10 0.00 0.00 70.33 68.45 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 -2.64 0.10 -0.87 4.28 -1.32 -1.26 -4.80 115.64 109.13 2joq s THR 27 Ca 0.50 -0.82 0.25 0.00 -1.21 0.00 0.00 61.69 60.40 2joq s THR 27 Cb 0.38 -0.88 -0.00 0.00 -1.51 0.00 0.00 72.50 70.49 2joq s THR 27 CO 0.14 -0.45 1.34 0.29 -2.21 0.00 0.00 174.62 173.73 2joq n LYS 28 N 0.73 0.10 -2.37 7.08 5.02 -1.26 -4.68 118.16 122.78 2joq n LYS 28 Ca -0.19 0.02 -0.39 0.00 -2.02 0.00 0.00 58.31 55.73 2joq n LYS 28 Cb 0.59 -1.55 -0.02 0.00 -0.02 0.00 0.00 35.03 34.03 2joq n LYS 28 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2joq n ASP 29 N -1.69 4.32 -4.35 4.39 2.03 -1.26 -4.89 116.55 115.09 2joq n ASP 29 Ca 0.05 -2.85 -0.45 0.00 0.52 0.00 0.00 54.79 52.05 2joq n ASP 29 Cb 0.37 -1.73 -0.05 0.00 -0.72 0.00 0.00 41.12 38.99 2joq n ASP 29 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2joq s THR 30 N 6.14 5.02 0.07 5.18 -1.32 -1.26 -4.79 115.64 124.67 2joq s THR 30 Ca 0.58 -1.19 0.00 0.00 -1.21 0.00 0.00 61.69 59.87 2joq s THR 30 Cb 0.03 -4.39 0.00 0.00 -1.51 0.00 0.00 72.50 66.63 2joq s THR 30 CO 0.09 -0.96 0.00 -0.24 -2.21 0.00 0.00 174.62 171.29 2joq n SER 31 N 5.79 0.46 -0.24 8.08 2.88 -1.26 -4.73 113.62 124.60 2joq n SER 31 Ca -0.11 0.10 0.28 0.00 -1.33 0.00 0.00 58.87 57.81 2joq n SER 31 Cb 0.42 -0.11 0.67 0.00 -0.75 0.00 0.00 64.21 64.44 2joq n SER 31 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2joq h THR 32 N 0.00 0.53 -0.65 2.46 2.02 -1.98 0.42 112.91 115.71 2joq h THR 32 Ca 0.00 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.16 2joq h THR 32 Cb 0.00 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 2joq h THR 32 CO 0.00 0.02 0.42 0.25 0.37 0.00 0.00 175.52 176.58 2joq h LEU 33 N 0.11 0.70 -0.10 2.58 5.85 -1.94 -1.97 115.31 120.54 2joq h LEU 33 Ca 0.48 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 59.04 2joq h LEU 33 Cb 1.73 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 42.60 2joq h LEU 33 CO -0.07 0.50 -0.53 0.11 -0.34 0.00 0.00 178.44 178.12 2joq h LYS 34 N 0.84 0.52 -0.51 1.25 1.57 -0.50 -3.26 116.57 116.48 2joq h LYS 34 Ca 0.25 -0.44 0.07 0.00 -1.87 0.00 0.00 60.65 58.66 2joq h LYS 34 Cb -0.04 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.31 2joq h LYS 34 CO -0.08 1.07 0.20 0.93 -0.57 0.00 0.00 179.45 180.99 2joq h GLU 35 N 0.12 0.37 -0.18 3.15 4.39 -0.96 0.16 114.58 121.63 2joq h GLU 35 Ca -0.04 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 2joq h GLU 35 Cb 1.18 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 2joq h GLU 35 CO 0.11 0.25 -0.04 1.37 -1.16 0.00 0.00 179.01 179.53 2joq h LEU 36 N 0.38 0.24 -0.24 1.33 8.10 -1.46 -0.71 115.31 122.95 2joq h LEU 36 Ca 0.24 -0.04 -0.15 0.00 0.11 0.00 0.00 57.88 58.04 2joq h LEU 36 Cb 0.25 -0.06 0.00 0.00 -0.44 0.00 0.00 40.66 40.41 2joq h LEU 36 CO -0.24 0.33 -0.45 -0.07 -4.11 0.00 0.00 178.44 173.90 2joq h LEU 37 N 0.26 0.82 -1.42 0.17 3.38 -1.04 -3.19 115.31 114.28 2joq h LEU 37 Ca 0.06 -0.54 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 2joq h LEU 37 Cb 0.25 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2joq h LEU 37 CO 0.01 1.20 -0.13 -0.33 0.09 0.00 0.00 178.44 179.28 2joq h GLU 38 N 0.46 0.00 -0.11 1.13 5.08 0.17 -2.66 114.58 118.66 2joq h GLU 38 Ca 0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2joq h GLU 38 Cb 1.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2joq h GLU 38 CO 0.10 0.13 -0.10 1.79 -1.00 0.00 0.00 179.01 179.94 2joq h THR 39 N 0.00 1.14 0.00 1.13 1.35 -1.15 0.83 112.91 116.20 2joq h THR 39 Ca -0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 2joq h THR 39 Cb 0.58 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 2joq h THR 39 CO 0.02 0.18 0.00 -1.22 -0.25 0.00 0.00 175.52 174.25 2joq n TYR 40 N -4.34 0.00 -1.56 4.73 4.02 -1.00 -4.87 117.16 114.14 2joq n TYR 40 Ca -0.01 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.69 2joq n TYR 40 Cb 0.22 -0.49 -0.08 0.00 -0.02 0.00 0.00 39.34 38.97 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 -1.49 -1.47 -4.21 -0.72 1.13 0.28 -4.96 117.38 105.95 2joq n GLN 41 Ca 0.05 1.18 -0.30 0.00 -1.94 0.00 0.00 57.00 55.99 2joq n GLN 41 Cb 0.24 -5.55 -0.09 0.00 0.11 0.00 0.00 30.24 24.94 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 -3.62 2.22 0.33 -1.09 1.70 -1.26 -5.09 118.95 112.14 2joq s ARG 42 Ca 0.00 -0.98 -0.29 0.00 -0.47 0.00 0.00 55.73 53.99 2joq s ARG 42 Cb 0.00 -2.36 -0.11 0.00 -0.57 0.00 0.00 34.95 31.92 2joq s ARG 42 CO 0.00 0.52 1.43 -1.25 -1.08 0.00 0.00 175.30 174.92 2joq s PRO 43 N -2.23 4.21 0.10 3.89 0.04 -1.26 -4.75 135.00 135.00 2joq s PRO 43 Ca 0.22 2.42 0.04 0.00 0.04 0.00 0.00 61.00 63.72 2joq s PRO 43 Cb -0.11 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 2joq s PRO 43 CO 0.15 -0.41 -0.11 -0.59 0.04 0.00 0.00 177.00 176.07 2joq s PHE 44 N -0.85 1.15 -0.38 0.56 -0.71 -1.26 -4.10 117.98 112.39 2joq s PHE 44 Ca 0.53 -0.60 -0.08 0.00 -1.04 0.00 0.00 56.93 55.74 2joq s PHE 44 Cb -0.44 -0.62 0.05 0.00 -1.21 0.00 0.00 43.02 40.80 2joq s PHE 44 CO 0.55 0.04 0.19 0.21 -1.34 0.00 0.00 175.22 174.87 2joq s LYS 45 N -2.61 2.64 -0.19 1.99 2.20 0.57 -4.97 119.74 119.37 2joq s LYS 45 Ca 0.05 -1.28 -0.15 0.00 -0.36 0.00 0.00 55.97 54.23 2joq s LYS 45 Cb -0.04 -3.65 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 2joq s LYS 45 CO 0.01 -0.79 0.34 -1.17 -0.36 0.00 0.00 175.35 173.38 2joq s LEU 46 N 1.44 4.18 -0.07 5.43 2.96 -1.26 -0.93 118.68 130.43 2joq s LEU 46 Ca 0.01 0.48 0.03 0.00 -0.22 0.00 0.00 54.13 54.43 2joq s LEU 46 Cb -0.21 -2.43 0.01 0.00 0.50 0.00 0.00 46.19 44.06 2joq s LEU 46 CO 0.03 -0.00 -0.16 -1.61 -1.32 0.00 0.00 176.35 173.29 2joq s GLU 47 N 0.99 2.03 -0.33 1.98 0.41 0.11 -5.01 118.70 118.87 2joq s GLU 47 Ca 0.17 -0.56 -0.05 0.00 -0.41 0.00 0.00 54.97 54.13 2joq s GLU 47 Cb -0.14 -1.64 0.05 0.00 -1.78 0.00 0.00 34.13 30.62 2joq s GLU 47 CO 0.06 0.10 0.08 0.12 -0.49 0.00 0.00 175.26 175.14 2joq s PHE 48 N 0.47 3.29 -0.05 1.61 5.36 -1.26 -0.45 117.98 126.95 2joq s PHE 48 Ca -0.14 -1.65 -0.01 0.00 -0.96 0.00 0.00 56.93 54.17 2joq s PHE 48 Cb -0.16 -2.33 -0.00 0.00 -0.34 0.00 0.00 43.02 40.20 2joq s PHE 48 CO 0.05 -0.78 -0.01 0.87 -1.46 0.00 0.00 175.22 173.89 2joq h LYS 49 N 8.14 0.00 -1.33 10.12 1.79 -1.60 -3.50 116.57 130.19 2joq h LYS 49 Ca -0.22 0.00 0.31 0.00 -2.18 0.00 0.00 60.65 58.56 2joq h LYS 49 Cb 1.07 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 31.56 2joq h LYS 49 CO 0.59 0.00 0.87 1.21 -1.08 0.00 0.00 179.45 181.04 2joq s ASN 50 N -4.30 -0.07 0.27 0.86 2.47 -1.23 -5.04 114.94 107.90 2joq s ASN 50 Ca -0.01 -0.04 -0.20 0.00 0.42 0.00 0.00 52.86 53.02 2joq s ASN 50 Cb 0.00 0.11 -0.09 0.00 -1.45 0.00 0.00 41.25 39.82 2joq s ASN 50 CO 0.01 -0.19 0.78 0.28 -3.72 0.00 0.00 177.10 174.26 2joq s THR 51 N -2.30 4.51 0.93 -5.21 -1.32 -1.26 -1.14 115.64 109.85 2joq s THR 51 Ca 0.12 1.35 -0.11 0.00 -1.21 0.00 0.00 61.69 61.83 2joq s THR 51 Cb 0.02 -3.84 0.15 0.00 -1.51 0.00 0.00 72.50 67.32 2joq s THR 51 CO -0.04 0.11 1.10 -0.44 -2.21 0.00 0.00 174.62 173.13 2joq s SER 52 N -1.76 3.05 0.41 8.08 0.01 0.28 -4.85 113.70 118.92 2joq s SER 52 Ca 0.47 1.74 0.09 0.00 1.31 0.00 0.00 55.95 59.56 2joq s SER 52 Cb -0.16 -2.36 0.89 0.00 0.21 0.00 0.00 66.02 64.60 2joq s SER 52 CO 0.21 -2.94 2.00 0.50 0.41 0.00 0.00 173.24 173.42 2joq h LYS 53 N -1.76 0.54 0.00 12.44 3.11 -1.97 0.18 116.57 129.11 2joq h LYS 53 Ca -0.49 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.32 2joq h LYS 53 Cb 1.28 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 32.39 2joq h LYS 53 CO 0.50 0.36 0.00 -0.97 -2.81 0.00 0.00 179.45 176.53 2joq h ASN 54 N 0.56 0.00 0.00 4.20 -1.24 -1.91 -3.46 115.58 113.72 2joq h ASN 54 Ca 0.24 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.25 2joq h ASN 54 Cb 0.25 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.30 2joq h ASN 54 CO -0.07 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.07 2joq n ALA 55 N -1.86 0.00 0.32 1.57 0.00 0.64 -4.66 120.51 116.52 2joq n ALA 55 Ca 0.02 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.66 2joq n ALA 55 Cb 0.28 0.00 1.03 0.00 0.00 0.00 0.00 19.45 20.76 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 0.00 -6.38 0.00 1.63 -1.90 -3.42 116.57 106.50 2joq h LYS 56 Ca 0.00 0.00 -0.68 0.00 -0.85 0.00 0.00 60.65 59.12 2joq h LYS 56 Cb 0.00 0.00 -0.20 0.00 -0.60 0.00 0.00 32.23 31.43 2joq h LYS 56 CO 0.00 0.00 -0.75 -0.06 -3.45 0.00 0.00 179.45 175.19 2joq s PHE 57 N -4.23 2.73 -0.06 1.91 0.08 -1.26 -4.24 117.98 112.92 2joq s PHE 57 Ca -0.04 -0.14 0.03 0.00 0.12 0.00 0.00 56.93 56.89 2joq s PHE 57 Cb 0.12 -1.57 0.01 0.00 -0.57 0.00 0.00 43.02 41.01 2joq s PHE 57 CO 0.39 0.28 -0.13 0.71 -0.10 0.00 0.00 175.22 176.38 2joq s TYR 58 N -0.89 1.44 -0.41 0.36 2.02 0.41 -0.55 117.35 119.73 2joq s TYR 58 Ca 0.15 -0.50 -0.20 0.00 -0.37 0.00 0.00 57.07 56.15 2joq s TYR 58 Cb -0.11 -1.04 0.02 0.00 -0.40 0.00 0.00 41.96 40.43 2joq s TYR 58 CO 0.05 -0.24 0.59 -1.12 -1.57 0.00 0.00 175.55 173.25 2joq s SER 59 N 0.52 6.31 0.32 2.29 0.01 -0.29 -2.25 113.70 120.62 2joq s SER 59 Ca -0.12 -0.27 0.07 0.00 1.31 0.00 0.00 55.95 56.94 2joq s SER 59 Cb -0.14 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 63.76 2joq s SER 59 CO 0.03 -0.67 0.27 -0.36 0.41 0.00 0.00 173.24 172.92 2joq s PHE 60 N 2.62 2.92 -0.15 2.43 0.08 0.10 -1.46 117.98 124.52 2joq s PHE 60 Ca 0.20 -0.28 -0.11 0.00 0.12 0.00 0.00 56.93 56.86 2joq s PHE 60 Cb -0.15 -1.73 0.05 0.00 -0.57 0.00 0.00 43.02 40.62 2joq s PHE 60 CO 0.17 0.25 0.39 1.21 -0.10 0.00 0.00 175.22 177.13 2joq s ASN 61 N -3.96 -0.44 -0.01 1.36 2.47 0.41 -1.06 114.94 113.70 2joq s ASN 61 Ca 0.39 0.81 0.07 0.00 0.42 0.00 0.00 52.86 54.55 2joq s ASN 61 Cb -0.06 0.76 -0.02 0.00 -1.45 0.00 0.00 41.25 40.49 2joq s ASN 61 CO 0.26 -0.16 -0.22 -0.69 -3.72 0.00 0.00 177.10 172.57 2joq s VAL 62 N 0.72 1.76 -0.23 -5.21 1.01 0.60 0.05 120.40 119.10 2joq s VAL 62 Ca -0.04 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 60.92 2joq s VAL 62 Cb -0.05 -1.47 0.07 0.00 0.00 0.00 0.00 36.38 34.93 2joq s VAL 62 CO -0.05 0.47 0.05 -0.44 0.00 0.00 0.00 175.10 175.13 2joq s SER 63 N -0.61 3.22 0.13 3.32 0.01 -0.11 0.07 113.70 119.73 2joq s SER 63 Ca 0.09 -1.03 0.05 0.00 1.31 0.00 0.00 55.95 56.36 2joq s SER 63 Cb -0.09 -0.65 -0.04 0.00 0.21 0.00 0.00 66.02 65.45 2joq s SER 63 CO -0.00 -0.33 -0.12 0.00 0.41 0.00 0.00 173.24 173.19 2joq s MET 64 N 1.81 1.00 -0.16 12.44 0.23 -0.90 -0.32 119.30 133.40 2joq s MET 64 Ca 0.02 -1.29 -0.29 0.00 -1.03 0.00 0.00 55.69 53.09 2joq s MET 64 Cb -0.17 -0.72 -0.02 0.00 -1.53 0.00 0.00 34.83 32.39 2joq s MET 64 CO -0.13 0.12 1.30 -1.21 -2.03 0.00 0.00 175.02 173.06 2joq s GLU 65 N -3.07 4.22 -0.18 3.16 2.02 -1.26 -0.48 118.70 123.12 2joq s GLU 65 Ca 0.11 1.70 -0.06 0.00 0.02 0.00 0.00 54.97 56.75 2joq s GLU 65 Cb -0.02 -3.79 -0.03 0.00 0.10 0.00 0.00 34.13 30.39 2joq s GLU 65 CO 0.02 -0.73 0.01 0.14 0.02 0.00 0.00 175.26 174.72 2joq s VAL 66 N 3.57 4.25 0.36 2.63 -7.23 -0.07 -4.91 120.40 119.00 2joq s VAL 66 Ca 0.56 -0.22 0.12 0.00 -1.81 0.00 0.00 61.98 60.63 2joq s VAL 66 Cb -0.23 -2.91 0.09 0.00 0.56 0.00 0.00 36.38 33.90 2joq s VAL 66 CO 0.16 0.46 1.82 0.28 -0.31 0.00 0.00 175.10 177.51 2joq h SER 67 N 6.98 0.04 -1.84 4.85 0.02 -1.95 -2.45 113.55 119.20 2joq h SER 67 Ca -0.35 -0.01 0.06 0.00 -0.84 0.00 0.00 61.79 60.65 2joq h SER 67 Cb 1.18 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 2joq h SER 67 CO 0.65 0.40 0.29 -0.46 -1.14 0.00 0.00 176.83 176.57 2joq n ASN 68 N -4.10 -1.10 -0.33 3.07 0.23 -1.26 -3.74 115.26 108.02 2joq n ASN 68 Ca -0.02 -1.64 -0.01 0.00 -0.53 0.00 0.00 54.58 52.38 2joq n ASN 68 Cb 0.40 1.80 0.11 0.00 -2.08 0.00 0.00 39.78 40.02 2joq n ASN 68 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2joq h GLU 69 N 0.00 1.12 -0.87 -3.83 4.81 -2.00 -2.34 114.58 111.46 2joq h GLU 69 Ca -0.17 -0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.07 2joq h GLU 69 Cb 0.70 -0.25 -0.07 0.00 0.63 0.00 0.00 28.75 29.76 2joq h GLU 69 CO 0.22 0.74 0.54 0.77 -0.73 0.00 0.00 179.01 180.55 2joq h SER 70 N 1.15 0.83 0.59 1.04 0.02 -1.99 -1.51 113.55 113.68 2joq h SER 70 Ca 0.35 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.30 2joq h SER 70 Cb -0.02 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.38 2joq h SER 70 CO -0.11 0.51 -0.28 -0.33 -1.14 0.00 0.00 176.83 175.48 2joq h GLU 71 N 0.96 -0.77 -0.66 3.45 4.39 -1.83 -1.54 114.58 118.57 2joq h GLU 71 Ca 0.39 0.05 0.11 0.00 0.34 0.00 0.00 59.36 60.25 2joq h GLU 71 Cb 0.23 0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.01 2joq h GLU 71 CO -0.19 -0.49 0.44 0.07 -1.16 0.00 0.00 179.01 177.68 2joq h ARG 72 N -0.85 0.46 -0.04 2.33 0.11 -1.02 0.37 114.38 115.73 2joq h ARG 72 Ca -0.08 -0.03 -0.25 0.00 0.10 0.00 0.00 59.98 59.72 2joq h ARG 72 Cb 0.63 -0.10 0.02 0.00 1.11 0.00 0.00 29.97 31.63 2joq h ARG 72 CO 0.13 0.30 -0.95 -0.91 0.10 0.00 0.00 179.97 178.65 2joq h ASN 73 N 0.47 0.90 -0.19 0.08 2.35 -1.19 -2.63 115.58 115.36 2joq h ASN 73 Ca 0.31 -0.71 -0.14 0.00 -0.55 0.00 0.00 56.30 55.21 2joq h ASN 73 Cb 0.58 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.68 2joq h ASN 73 CO -0.10 1.49 -0.44 1.05 -1.65 0.00 0.00 177.43 177.79 2joq h GLU 74 N 0.40 0.64 -0.72 0.81 4.11 -0.10 -3.03 114.58 116.68 2joq h GLU 74 Ca -0.11 -0.43 -0.07 0.00 0.07 0.00 0.00 59.36 58.83 2joq h GLU 74 Cb 1.60 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.88 2joq h GLU 74 CO 0.19 1.05 0.18 0.82 0.07 0.00 0.00 179.01 181.31 2joq h ILE 75 N 0.32 1.26 -0.94 -1.06 2.04 -1.09 -0.61 117.51 117.44 2joq h ILE 75 Ca -0.00 -0.98 0.15 0.00 1.00 0.00 0.00 64.86 65.04 2joq h ILE 75 Cb 1.05 0.52 -0.10 0.00 -0.74 0.00 0.00 36.82 37.55 2joq h ILE 75 CO 0.10 0.38 0.55 0.15 0.00 0.00 0.00 178.15 179.32 2joq h PHE 76 N 1.09 0.98 -0.12 1.37 3.57 -1.45 -1.32 116.94 121.06 2joq h PHE 76 Ca 0.23 0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.54 2joq h PHE 76 Cb 0.37 -0.29 0.01 0.00 2.79 0.00 0.00 35.95 38.83 2joq h PHE 76 CO 0.03 0.28 -0.81 1.96 -2.23 0.00 0.00 178.31 177.53 2joq h GLN 77 N 0.78 0.72 -0.79 1.11 4.20 -1.19 -3.03 115.11 116.90 2joq h GLN 77 Ca 0.51 -0.61 0.11 0.00 0.06 0.00 0.00 58.65 58.72 2joq h GLN 77 Cb 0.69 0.14 -0.08 0.00 0.30 0.00 0.00 27.48 28.52 2joq h GLN 77 CO -0.34 1.22 0.41 0.87 -0.67 0.00 0.00 178.83 180.32 2joq h LYS 78 N 0.48 0.64 0.00 1.46 1.79 -0.10 -0.33 116.57 120.52 2joq h LYS 78 Ca -0.06 -0.04 -0.05 0.00 -2.18 0.00 0.00 60.65 58.32 2joq h LYS 78 Cb 1.44 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.93 2joq h LYS 78 CO 0.16 0.42 -0.26 0.82 -1.08 0.00 0.00 179.45 179.52 2joq h ILE 79 N 0.66 1.06 0.00 1.86 2.04 -1.23 -1.84 117.51 120.07 2joq h ILE 79 Ca 0.40 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.35 2joq h ILE 79 Cb 0.46 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 2joq h ILE 79 CO -0.29 0.25 0.00 -1.28 0.00 0.00 0.00 178.15 176.83 2joq h SER 80 N 0.00 0.00 -0.01 1.72 0.87 -0.95 -3.27 113.55 111.92 2joq h SER 80 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2joq h SER 80 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 2joq h SER 80 CO 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.33 2joq n GLN 81 N -3.03 1.05 0.25 2.24 6.02 -0.69 -3.54 117.38 119.68 2joq n GLN 81 Ca 0.03 -0.07 0.14 0.00 -0.01 0.00 0.00 57.00 57.08 2joq n GLN 81 Cb 0.42 -1.42 0.45 0.00 1.02 0.00 0.00 30.24 30.71 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 0.16 0.00 0.00 1.08 3.38 -1.70 -3.46 115.31 114.77 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 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2joq h LEU 82 CO 0.00 0.04 0.00 -0.67 0.09 0.00 0.00 178.44 177.90 2joq n ASP 83 N -3.13 0.00 0.00 -0.43 2.03 -1.23 -4.59 116.55 109.20 2joq n ASP 83 Ca 0.02 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.46 2joq n ASP 83 Cb 0.42 0.00 0.60 0.00 -0.72 0.00 0.00 41.12 41.41 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 0.08 -3.37 -0.67 5.02 -1.26 -4.77 118.16 113.18 2joq n LYS 84 Ca 0.00 0.04 -0.38 0.00 -2.02 0.00 0.00 58.31 55.94 2joq n LYS 84 Cb 0.00 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.45 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 -2.92 4.88 -0.16 -0.18 0.11 -1.26 -2.17 120.40 118.71 2joq s VAL 85 Ca 0.16 1.05 0.13 0.00 -2.93 0.00 0.00 61.98 60.39 2joq s VAL 85 Cb 0.18 -3.82 -0.19 0.00 -1.53 0.00 0.00 36.38 31.02 2joq s VAL 85 CO 0.48 0.55 0.04 1.33 -3.33 0.00 0.00 175.10 174.17 2joq n VAL 86 N 1.86 1.09 -3.73 2.04 0.24 -0.16 -4.97 118.33 114.70 2joq n VAL 86 Ca -0.12 -0.66 -0.12 0.00 -2.04 0.00 0.00 64.34 61.41 2joq n VAL 86 Cb 0.51 -0.61 -0.12 0.00 -1.47 0.00 0.00 33.84 32.16 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 -2.38 0.32 -0.20 7.34 0.74 -1.09 -5.06 119.66 119.33 2joq s GLN 87 Ca -0.09 0.60 0.01 0.00 0.05 0.00 0.00 55.36 55.93 2joq s GLN 87 Cb 0.05 0.00 0.04 0.00 1.10 0.00 0.00 33.01 34.20 2joq s GLN 87 CO 0.64 -0.13 -0.14 0.95 -0.55 0.00 0.00 175.29 176.06 2joq s THR 88 N 0.99 1.87 -0.39 -0.34 -4.23 -1.26 -1.24 115.64 111.03 2joq s THR 88 Ca -0.07 -1.06 -0.10 0.00 -1.18 0.00 0.00 61.69 59.28 2joq s THR 88 Cb -0.07 -1.84 0.05 0.00 1.34 0.00 0.00 72.50 71.98 2joq s THR 88 CO -0.07 0.29 0.23 -0.76 -0.54 0.00 0.00 174.62 173.77 2joq s LEU 89 N 1.32 4.91 -0.29 4.79 1.02 0.18 -4.93 118.68 125.68 2joq s LEU 89 Ca 0.00 -1.21 0.18 0.00 0.02 0.00 0.00 54.13 53.12 2joq s LEU 89 Cb -0.15 -2.01 0.49 0.00 0.02 0.00 0.00 46.19 44.53 2joq s LEU 89 CO -0.09 -0.45 1.11 0.61 0.02 0.00 0.00 176.35 177.54 2joq n GLY 90 N 4.97 3.03 0.00 -3.19 0.00 -1.26 -0.28 105.19 108.45 2joq n GLY 90 Ca -0.11 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.36 2joq n GLY 90 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06