#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 2.30 2.73 1.08 0.00 -1.26 -5.16 105.19 104.88 2joq n GLY 2 Ca 0.00 -1.66 -0.19 0.00 0.00 0.00 0.00 46.02 44.17 2joq n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2joq s HIS 3 N -3.05 -0.03 0.40 1.61 2.46 -1.26 -5.14 115.29 110.29 2joq s HIS 3 Ca 0.30 0.39 -0.26 0.00 0.47 0.00 0.00 55.06 55.96 2joq s HIS 3 Cb -0.00 -0.39 -0.10 0.00 -0.13 0.00 0.00 32.58 31.95 2joq s HIS 3 CO 0.22 -0.22 1.25 -1.33 -2.47 0.00 0.00 174.74 172.19 2joq n MET 4 N 5.29 1.93 -2.01 2.88 2.81 -1.26 -4.93 117.12 121.84 2joq n MET 4 Ca -0.04 0.68 -0.37 0.00 -1.81 0.00 0.00 57.70 56.16 2joq n MET 4 Cb 0.50 -2.34 0.02 0.00 -0.71 0.00 0.00 33.22 30.69 2joq n MET 4 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 2joq s PRO 5 N -2.11 3.31 -0.78 0.03 0.02 -1.26 -4.93 135.00 129.28 2joq s PRO 5 Ca 0.60 1.96 -0.26 0.00 0.02 0.00 0.00 61.00 63.32 2joq s PRO 5 Cb -0.53 -2.22 0.01 0.00 0.02 0.00 0.00 34.50 31.78 2joq s PRO 5 CO 0.59 -0.97 1.59 0.45 -0.33 0.00 0.00 177.00 178.32 2joq s SER 6 N -1.27 5.80 -0.19 2.53 0.15 -1.26 -4.81 113.70 114.65 2joq s SER 6 Ca 0.70 -0.42 -0.13 0.00 0.70 0.00 0.00 55.95 56.80 2joq s SER 6 Cb -0.34 -2.55 -0.21 0.00 -1.71 0.00 0.00 66.02 61.21 2joq s SER 6 CO 0.39 -2.08 0.16 -0.90 1.20 0.00 0.00 173.24 172.02 2joq n ASP 7 N 11.00 1.98 -0.03 5.45 5.75 -1.26 -4.51 116.55 134.93 2joq n ASP 7 Ca 0.19 0.28 -0.14 0.00 -0.01 0.00 0.00 54.79 55.12 2joq n ASP 7 Cb 0.50 -0.86 -0.11 0.00 -1.03 0.00 0.00 41.12 39.62 2joq n ASP 7 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 2joq h SER 8 N -0.51 0.06 -1.85 -1.12 0.87 -2.03 -3.41 113.55 105.56 2joq h SER 8 Ca -0.44 -0.67 -0.49 0.00 -1.23 0.00 0.00 61.79 58.96 2joq h SER 8 Cb 1.67 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.60 2joq h SER 8 CO -0.11 0.72 1.50 -0.54 -0.53 0.00 0.00 176.83 177.87 2joq s LYS 9 N -3.54 2.45 0.49 2.24 -0.14 -1.26 -4.94 119.74 115.03 2joq s LYS 9 Ca -0.17 1.19 -0.21 0.00 -1.36 0.00 0.00 55.97 55.42 2joq s LYS 9 Cb 0.01 -4.47 -0.07 0.00 -1.68 0.00 0.00 37.83 31.61 2joq s LYS 9 CO 0.70 -2.90 1.13 0.15 -0.76 0.00 0.00 175.35 173.66 2joq s LYS 10 N 7.51 3.63 0.08 1.68 -0.14 -1.26 -4.96 119.74 126.27 2joq s LYS 10 Ca 0.86 1.65 -0.31 0.00 -1.36 0.00 0.00 55.97 56.82 2joq s LYS 10 Cb -0.17 -2.22 -0.09 0.00 -1.68 0.00 0.00 37.83 33.66 2joq s LYS 10 CO 0.25 -0.63 1.78 -1.25 -0.76 0.00 0.00 175.35 174.74 2joq s PRO 11 N -2.97 4.16 -0.40 -1.68 0.04 -1.26 -4.97 135.00 127.93 2joq s PRO 11 Ca 0.67 2.47 -0.15 0.00 0.04 0.00 0.00 61.00 64.03 2joq s PRO 11 Cb -0.25 -3.72 0.01 0.00 0.04 0.00 0.00 34.50 30.58 2joq s PRO 11 CO 0.30 -0.82 0.34 0.99 0.04 0.00 0.00 177.00 177.84 2joq s THR 12 N 3.09 5.21 0.04 1.26 2.01 -1.26 -5.06 115.64 120.92 2joq s THR 12 Ca 0.79 -0.45 -0.13 0.00 0.31 0.00 0.00 61.69 62.21 2joq s THR 12 Cb -0.42 -3.92 -0.06 0.00 0.01 0.00 0.00 72.50 68.11 2joq s THR 12 CO 0.35 -0.28 0.42 -0.63 -0.69 0.00 0.00 174.62 173.79 2joq s ILE 13 N 1.84 5.03 -0.43 1.82 -1.09 -1.26 -5.06 121.20 122.06 2joq s ILE 13 Ca 0.08 0.71 -0.20 0.00 -2.23 0.00 0.00 60.65 59.01 2joq s ILE 13 Cb -0.18 -3.69 0.02 0.00 -1.58 0.00 0.00 42.46 37.03 2joq s ILE 13 CO 0.11 0.45 0.61 -0.63 -1.23 0.00 0.00 174.94 174.25 2joq s ILE 14 N -1.22 4.87 0.11 2.92 1.01 -1.26 -5.06 121.20 122.58 2joq s ILE 14 Ca 0.28 0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.91 2joq s ILE 14 Cb -0.16 -4.18 -0.05 0.00 0.01 0.00 0.00 42.46 38.08 2joq s ILE 14 CO 0.15 -0.56 0.36 -0.31 0.00 0.00 0.00 174.94 174.58 2joq s TYR 15 N 2.70 3.51 0.67 3.97 1.51 -1.26 -4.12 117.35 124.32 2joq s TYR 15 Ca 0.21 0.58 -0.11 0.00 -1.01 0.00 0.00 57.07 56.74 2joq s TYR 15 Cb -0.15 -2.01 -0.01 0.00 -0.11 0.00 0.00 41.96 39.68 2joq s TYR 15 CO 0.18 0.48 1.05 -2.14 -1.11 0.00 0.00 175.55 174.01 2joq s PRO 16 N -2.42 3.16 0.09 -1.71 0.02 -1.24 -5.02 135.00 127.88 2joq s PRO 16 Ca 0.38 0.86 -0.26 0.00 0.02 0.00 0.00 61.00 62.00 2joq s PRO 16 Cb -0.13 -2.02 0.08 0.00 0.02 0.00 0.00 34.50 32.45 2joq s PRO 16 CO 0.23 -0.91 0.75 0.00 -0.33 0.00 0.00 177.00 176.73 2joq s LEU 18 N -2.64 3.63 0.02 0.00 1.43 -1.26 -0.84 118.68 119.01 2joq s LEU 18 Ca 0.04 0.84 -0.13 0.00 -1.03 0.00 0.00 54.13 53.85 2joq s LEU 18 Cb -0.01 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.61 2joq s LEU 18 CO -0.10 -1.38 0.40 0.86 0.23 0.00 0.00 176.35 176.37 2joq s TRP 19 N 5.22 3.69 -0.16 0.29 -0.11 0.53 -4.85 118.94 123.55 2joq s TRP 19 Ca 0.59 0.93 -0.06 0.00 1.22 0.00 0.00 56.10 58.79 2joq s TRP 19 Cb -0.13 -2.25 -0.04 0.00 -1.50 0.00 0.00 33.47 29.55 2joq s TRP 19 CO 0.31 0.61 0.05 0.34 -4.62 0.00 0.00 176.95 173.64 2joq s ASP 20 N -1.27 5.56 0.02 5.86 2.15 -1.26 -1.85 116.67 125.88 2joq s ASP 20 Ca 0.26 0.11 0.07 0.00 0.43 0.00 0.00 52.55 53.43 2joq s ASP 20 Cb -0.16 -1.87 -0.02 0.00 -0.30 0.00 0.00 42.92 40.57 2joq s ASP 20 CO 0.15 0.23 -0.21 -0.31 -0.17 0.00 0.00 175.17 174.86 2joq s TYR 21 N -0.00 1.84 -0.32 -5.34 1.51 0.15 -4.71 117.35 110.47 2joq s TYR 21 Ca 0.05 -0.36 -0.05 0.00 -1.01 0.00 0.00 57.07 55.70 2joq s TYR 21 Cb -0.12 -1.13 0.03 0.00 -0.11 0.00 0.00 41.96 40.63 2joq s TYR 21 CO 0.01 0.04 0.07 0.50 -1.11 0.00 0.00 175.55 175.06 2joq s ARG 22 N -0.91 2.69 -0.42 -0.62 6.06 0.31 -1.27 118.95 124.79 2joq s ARG 22 Ca 0.08 -1.12 -0.11 0.00 -2.50 0.00 0.00 55.73 52.08 2joq s ARG 22 Cb -0.08 -3.36 0.07 0.00 0.06 0.00 0.00 34.95 31.63 2joq s ARG 22 CO 0.01 -0.60 0.27 0.08 -2.50 0.00 0.00 175.30 172.57 2joq s VAL 23 N 1.39 4.50 -0.45 7.11 1.01 -0.16 -0.95 120.40 132.84 2joq s VAL 23 Ca -0.01 -1.22 -0.17 0.00 0.00 0.00 0.00 61.98 60.58 2joq s VAL 23 Cb -0.19 -3.69 0.04 0.00 0.00 0.00 0.00 36.38 32.54 2joq s VAL 23 CO 0.02 -0.46 0.47 -0.63 0.00 0.00 0.00 175.10 174.49 2joq s ILE 24 N 1.50 5.07 0.05 2.22 1.01 -0.52 -0.31 121.20 130.21 2joq s ILE 24 Ca 0.03 -0.53 0.07 0.00 0.00 0.00 0.00 60.65 60.22 2joq s ILE 24 Cb -0.22 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.10 2joq s ILE 24 CO 0.04 -0.54 -0.19 -0.04 0.00 0.00 0.00 174.94 174.21 2joq s MET 25 N 2.14 2.02 0.00 2.79 -1.94 -0.50 -0.95 119.30 122.86 2joq s MET 25 Ca 0.11 -1.01 0.29 0.00 -1.71 0.00 0.00 55.69 53.37 2joq s MET 25 Cb -0.19 -2.16 1.32 0.00 2.01 0.00 0.00 34.83 35.81 2joq s MET 25 CO 0.12 0.53 1.93 0.25 -0.01 0.00 0.00 175.02 177.84 2joq n THR 26 N 1.52 0.00 -4.26 2.05 -2.24 -1.18 -0.20 114.28 109.97 2joq n THR 26 Ca -0.16 -0.02 -0.26 0.00 -2.27 0.00 0.00 64.05 61.33 2joq n THR 26 Cb 0.52 -0.29 -0.08 0.00 -2.10 0.00 0.00 70.33 68.38 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 -2.60 3.41 -2.77 4.28 -1.32 -1.26 -4.79 115.64 110.59 2joq s THR 27 Ca 0.26 -1.64 0.24 0.00 -1.21 0.00 0.00 61.69 59.35 2joq s THR 27 Cb 0.20 -2.73 0.31 0.00 -1.51 0.00 0.00 72.50 68.78 2joq s THR 27 CO 0.49 -0.16 1.39 1.17 -2.21 0.00 0.00 174.62 175.29 2joq n LYS 28 N -0.20 2.22 -2.50 7.08 4.81 -1.26 -4.72 118.16 123.59 2joq n LYS 28 Ca -0.09 -1.79 -0.40 0.00 -0.87 0.00 0.00 58.31 55.15 2joq n LYS 28 Cb 0.56 -1.47 -0.02 0.00 0.02 0.00 0.00 35.03 34.12 2joq n LYS 28 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2joq s ASP 29 N -1.87 6.46 -0.66 3.14 2.15 -1.26 -4.92 116.67 119.72 2joq s ASP 29 Ca 0.32 -1.94 -0.22 0.00 0.43 0.00 0.00 52.55 51.15 2joq s ASP 29 Cb 0.21 -2.58 0.08 0.00 -0.30 0.00 0.00 42.92 40.33 2joq s ASP 29 CO 0.31 -1.55 0.92 0.28 -0.17 0.00 0.00 175.17 174.95 2joq s THR 30 N 5.44 4.44 0.18 1.71 -1.32 -1.26 -4.66 115.64 120.16 2joq s THR 30 Ca 0.53 -0.54 0.00 0.00 -1.21 0.00 0.00 61.69 60.47 2joq s THR 30 Cb 0.02 -4.65 0.00 0.00 -1.51 0.00 0.00 72.50 66.36 2joq s THR 30 CO 0.02 -1.39 0.00 -1.54 -2.21 0.00 0.00 174.62 169.49 2joq n SER 31 N 7.38 -0.02 -0.14 8.08 3.41 -1.26 -4.76 113.62 126.30 2joq n SER 31 Ca -0.04 0.30 0.23 0.00 -0.26 0.00 0.00 58.87 59.10 2joq n SER 31 Cb 0.45 0.22 0.64 0.00 -0.26 0.00 0.00 64.21 65.26 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 0.66 -0.79 6.66 2.02 -1.99 0.14 112.91 119.61 2joq h THR 32 Ca 0.00 -0.05 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 2joq h THR 32 Cb 0.00 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 2joq h THR 32 CO 0.00 0.03 0.33 0.25 0.37 0.00 0.00 175.52 176.49 2joq h LEU 33 N 0.14 1.08 -0.34 2.58 5.85 -1.90 -2.72 115.31 120.00 2joq h LEU 33 Ca 0.38 -0.17 -0.12 0.00 0.84 0.00 0.00 57.88 58.82 2joq h LEU 33 Cb 1.30 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 2joq h LEU 33 CO -0.06 0.95 -0.26 0.11 -0.34 0.00 0.00 178.44 178.84 2joq h LYS 34 N 1.14 0.77 -0.36 1.25 1.57 -1.05 -3.25 116.57 116.65 2joq h LYS 34 Ca 0.26 -0.38 0.08 0.00 -1.87 0.00 0.00 60.65 58.74 2joq h LYS 34 Cb 0.20 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.43 2joq h LYS 34 CO -0.02 1.00 -0.18 0.93 -0.57 0.00 0.00 179.45 180.61 2joq h GLU 35 N 0.54 -0.11 -0.21 3.15 4.39 -1.07 -0.67 114.58 120.60 2joq h GLU 35 Ca 0.06 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.73 2joq h GLU 35 Cb 0.83 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 2joq h GLU 35 CO 0.07 -0.08 -0.06 1.37 -1.16 0.00 0.00 179.01 179.15 2joq h LEU 36 N -0.12 0.31 -0.36 1.33 8.10 -1.57 -2.22 115.31 120.77 2joq h LEU 36 Ca 0.18 -0.05 -0.15 0.00 0.11 0.00 0.00 57.88 57.97 2joq h LEU 36 Cb 0.39 -0.08 -0.01 0.00 -0.44 0.00 0.00 40.66 40.53 2joq h LEU 36 CO -0.44 0.41 -0.35 -0.07 -4.11 0.00 0.00 178.44 173.89 2joq h LEU 37 N 0.32 0.93 -1.46 0.17 3.38 -1.22 -3.09 115.31 114.33 2joq h LEU 37 Ca 0.07 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2joq h LEU 37 Cb 0.32 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2joq h LEU 37 CO 0.01 1.20 0.00 -0.33 0.09 0.00 0.00 178.44 179.42 2joq h GLU 38 N 0.67 0.00 0.00 1.13 5.08 -0.57 -2.60 114.58 118.29 2joq h GLU 38 Ca 0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2joq h GLU 38 Cb 0.94 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 2joq h GLU 38 CO 0.09 0.00 -0.08 1.79 -1.00 0.00 0.00 179.01 179.81 2joq h THR 39 N 0.00 0.61 -0.00 1.13 1.35 -1.40 -0.13 112.91 114.47 2joq h THR 39 Ca 0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 2joq h THR 39 Cb 0.45 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 2joq h THR 39 CO 0.00 0.08 -0.04 -1.22 -0.25 0.00 0.00 175.52 174.09 2joq n TYR 40 N -3.80 0.00 -2.40 4.73 4.02 -0.98 -4.90 117.16 113.84 2joq n TYR 40 Ca -0.02 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.67 2joq n TYR 40 Cb 0.17 -0.20 -0.01 0.00 -0.02 0.00 0.00 39.34 39.29 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 -1.10 -1.78 -4.29 -0.72 1.13 -0.06 -4.97 117.38 105.59 2joq n GLN 41 Ca 0.16 0.94 -0.19 0.00 -1.94 0.00 0.00 57.00 55.98 2joq n GLN 41 Cb 0.23 -5.60 -0.11 0.00 0.11 0.00 0.00 30.24 24.88 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 -5.03 1.15 0.69 -1.09 1.70 -1.26 -5.12 118.95 109.99 2joq s ARG 42 Ca 0.00 -1.35 -0.14 0.00 -0.47 0.00 0.00 55.73 53.77 2joq s ARG 42 Cb 0.00 -1.06 0.02 0.00 -0.57 0.00 0.00 34.95 33.34 2joq s ARG 42 CO 0.00 0.20 1.11 -1.25 -1.08 0.00 0.00 175.30 174.28 2joq s PRO 43 N -2.91 2.61 0.03 3.89 0.04 -1.26 -4.74 135.00 132.65 2joq s PRO 43 Ca 0.13 1.34 -0.16 0.00 0.04 0.00 0.00 61.00 62.35 2joq s PRO 43 Cb -0.04 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.60 2joq s PRO 43 CO 0.05 -1.39 0.36 -0.59 0.04 0.00 0.00 177.00 175.47 2joq s PHE 44 N -2.48 -0.21 -0.39 0.56 -0.12 -1.26 -4.39 117.98 109.68 2joq s PHE 44 Ca 0.66 0.18 -0.09 0.00 -0.05 0.00 0.00 56.93 57.63 2joq s PHE 44 Cb -0.20 0.16 0.06 0.00 -0.63 0.00 0.00 43.02 42.41 2joq s PHE 44 CO 0.46 -0.51 0.21 0.21 -0.05 0.00 0.00 175.22 175.54 2joq s LYS 45 N -2.19 2.63 -0.38 1.99 2.20 0.19 -4.97 119.74 119.21 2joq s LYS 45 Ca -0.07 -1.33 -0.07 0.00 -0.36 0.00 0.00 55.97 54.13 2joq s LYS 45 Cb -0.02 -3.68 0.06 0.00 -1.51 0.00 0.00 37.83 32.68 2joq s LYS 45 CO -0.01 -0.84 0.18 -1.17 -0.36 0.00 0.00 175.35 173.15 2joq s LEU 46 N 1.43 4.78 0.20 5.43 0.20 -1.26 -1.07 118.68 128.40 2joq s LEU 46 Ca 0.02 -1.41 0.11 0.00 0.69 0.00 0.00 54.13 53.54 2joq s LEU 46 Cb -0.21 -1.91 -0.04 0.00 -0.43 0.00 0.00 46.19 43.59 2joq s LEU 46 CO 0.03 -0.44 -0.22 -1.61 -0.29 0.00 0.00 176.35 173.82 2joq s GLU 47 N 1.38 1.59 -0.31 1.98 0.41 -0.19 -4.96 118.70 118.59 2joq s GLU 47 Ca 0.01 -1.54 -0.15 0.00 -0.41 0.00 0.00 54.97 52.89 2joq s GLU 47 Cb -0.21 -1.86 -0.03 0.00 -1.78 0.00 0.00 34.13 30.25 2joq s GLU 47 CO 0.02 0.39 0.35 0.12 -0.49 0.00 0.00 175.26 175.65 2joq s PHE 48 N -1.78 3.22 0.00 1.61 5.36 -1.26 0.17 117.98 125.30 2joq s PHE 48 Ca 0.22 0.16 0.00 0.00 -0.96 0.00 0.00 56.93 56.35 2joq s PHE 48 Cb -0.08 -2.61 0.00 0.00 -0.34 0.00 0.00 43.02 39.99 2joq s PHE 48 CO 0.11 -0.33 0.08 1.63 -1.46 0.00 0.00 175.22 175.25 2joq n LYS 49 N 5.34 0.00 -4.11 10.12 4.76 0.23 -4.95 118.16 129.55 2joq n LYS 49 Ca -0.09 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.20 2joq n LYS 49 Cb 0.50 -0.57 -0.05 0.00 -1.84 0.00 0.00 35.03 33.07 2joq n LYS 49 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2joq s ASN 50 N -1.16 1.00 -0.00 4.39 -0.87 -1.17 -5.01 114.94 112.12 2joq s ASN 50 Ca 0.00 -1.52 -0.02 0.00 -1.57 0.00 0.00 52.86 49.75 2joq s ASN 50 Cb 0.00 0.65 -0.01 0.00 -0.02 0.00 0.00 41.25 41.87 2joq s ASN 50 CO 0.00 -1.26 0.04 0.28 -2.57 0.00 0.00 177.10 173.58 2joq s THR 51 N -3.12 0.06 1.08 1.60 -1.32 -1.26 -0.52 115.64 112.15 2joq s THR 51 Ca 0.32 -0.47 -0.15 0.00 -1.21 0.00 0.00 61.69 60.17 2joq s THR 51 Cb 0.00 -0.21 0.23 0.00 -1.51 0.00 0.00 72.50 71.01 2joq s THR 51 CO 0.21 -0.26 1.11 -0.55 -2.21 0.00 0.00 174.62 172.92 2joq s SER 52 N -0.80 1.94 0.14 8.08 0.15 -0.39 -4.86 113.70 117.97 2joq s SER 52 Ca -0.09 0.92 -0.24 0.00 0.70 0.00 0.00 55.95 57.25 2joq s SER 52 Cb -0.05 -1.40 -0.00 0.00 -1.71 0.00 0.00 66.02 62.85 2joq s SER 52 CO -0.00 -3.52 1.63 0.50 1.20 0.00 0.00 173.24 173.05 2joq h LYS 53 N -2.16 -0.28 -0.56 5.44 1.63 -2.02 -0.33 116.57 118.28 2joq h LYS 53 Ca -0.51 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 2joq h LYS 53 Cb 1.32 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.01 2joq h LYS 53 CO 0.48 -0.19 0.00 -1.71 -3.45 0.00 0.00 179.45 174.59 2joq n ASN 54 N -5.37 2.92 -1.10 4.20 5.15 -1.26 -4.87 115.26 114.93 2joq n ASN 54 Ca -0.02 -2.21 -0.14 0.00 -0.60 0.00 0.00 54.58 51.60 2joq n ASN 54 Cb 0.28 -0.42 -0.06 0.00 -0.53 0.00 0.00 39.78 39.06 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 0.62 -0.22 -0.01 5.20 0.00 -0.13 -4.84 120.51 121.13 2joq n ALA 55 Ca 0.15 0.23 -0.02 0.00 0.00 0.00 0.00 53.44 53.81 2joq n ALA 55 Cb 0.54 -1.85 0.24 0.00 0.00 0.00 0.00 19.45 18.38 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 0.01 0.55 -4.87 0.00 3.64 -1.90 -3.40 116.57 110.61 2joq h LYS 56 Ca -0.29 -0.15 -0.67 0.00 -1.27 0.00 0.00 60.65 58.26 2joq h LYS 56 Cb 1.22 -0.06 -0.36 0.00 -0.41 0.00 0.00 32.23 32.62 2joq h LYS 56 CO 0.43 0.64 -0.78 -0.06 -2.27 0.00 0.00 179.45 177.41 2joq s PHE 57 N -4.80 3.21 -0.28 1.91 0.08 -1.26 -4.07 117.98 112.76 2joq s PHE 57 Ca -0.08 -2.12 -0.18 0.00 0.12 0.00 0.00 56.93 54.67 2joq s PHE 57 Cb 0.15 -1.97 -0.02 0.00 -0.57 0.00 0.00 43.02 40.60 2joq s PHE 57 CO 0.78 -0.85 0.50 0.71 -0.10 0.00 0.00 175.22 176.26 2joq s TYR 58 N 1.16 3.25 -0.39 0.36 2.02 0.72 -1.26 117.35 123.21 2joq s TYR 58 Ca -0.06 0.52 -0.20 0.00 -0.37 0.00 0.00 57.07 56.96 2joq s TYR 58 Cb -0.19 -2.74 0.01 0.00 -0.40 0.00 0.00 41.96 38.64 2joq s TYR 58 CO -0.05 -0.33 0.59 -1.12 -1.57 0.00 0.00 175.55 173.08 2joq s SER 59 N 1.60 6.34 0.16 2.29 0.01 0.32 -1.40 113.70 123.02 2joq s SER 59 Ca 0.20 -0.16 0.05 0.00 1.31 0.00 0.00 55.95 57.35 2joq s SER 59 Cb -0.16 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 2joq s SER 59 CO 0.10 -0.64 0.16 -0.36 0.41 0.00 0.00 173.24 172.91 2joq s PHE 60 N 2.63 3.20 -0.15 2.43 0.08 0.57 -0.60 117.98 126.14 2joq s PHE 60 Ca 0.21 0.00 0.02 0.00 0.12 0.00 0.00 56.93 57.28 2joq s PHE 60 Cb -0.15 -1.54 0.02 0.00 -0.57 0.00 0.00 43.02 40.78 2joq s PHE 60 CO 0.16 0.52 -0.19 1.21 -0.10 0.00 0.00 175.22 176.82 2joq s ASN 61 N -3.13 2.98 -0.19 1.36 2.47 0.13 -0.99 114.94 117.56 2joq s ASN 61 Ca 0.32 -0.58 0.01 0.00 0.42 0.00 0.00 52.86 53.02 2joq s ASN 61 Cb -0.10 -1.38 0.02 0.00 -1.45 0.00 0.00 41.25 38.34 2joq s ASN 61 CO 0.24 0.02 -0.18 -0.69 -3.72 0.00 0.00 177.10 172.78 2joq s VAL 62 N 1.10 2.16 -0.23 -5.21 1.01 -0.40 -1.02 120.40 117.81 2joq s VAL 62 Ca -0.01 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.02 2joq s VAL 62 Cb -0.14 -1.95 0.05 0.00 0.00 0.00 0.00 36.38 34.34 2joq s VAL 62 CO -0.07 0.48 -0.12 -0.44 0.00 0.00 0.00 175.10 174.95 2joq s SER 63 N 1.29 3.96 0.12 3.32 0.01 -0.23 0.31 113.70 122.47 2joq s SER 63 Ca 0.04 -1.15 0.01 0.00 1.31 0.00 0.00 55.95 56.17 2joq s SER 63 Cb -0.14 -1.45 -0.04 0.00 0.21 0.00 0.00 66.02 64.60 2joq s SER 63 CO -0.12 -0.15 -0.03 0.00 0.41 0.00 0.00 173.24 173.35 2joq s MET 64 N 1.21 0.90 -0.12 12.44 0.23 -0.77 -0.63 119.30 132.56 2joq s MET 64 Ca -0.05 -1.39 -0.29 0.00 -1.03 0.00 0.00 55.69 52.93 2joq s MET 64 Cb -0.18 -0.16 -0.02 0.00 -1.53 0.00 0.00 34.83 32.95 2joq s MET 64 CO -0.07 -0.08 1.21 -1.21 -2.03 0.00 0.00 175.02 172.84 2joq s GLU 65 N -3.88 4.29 -0.12 3.16 2.02 -1.26 -0.34 118.70 122.56 2joq s GLU 65 Ca 0.16 1.63 -0.03 0.00 0.02 0.00 0.00 54.97 56.75 2joq s GLU 65 Cb 0.06 -3.66 -0.03 0.00 0.10 0.00 0.00 34.13 30.60 2joq s GLU 65 CO -0.02 -0.57 -0.02 0.14 0.02 0.00 0.00 175.26 174.80 2joq s VAL 66 N 2.87 4.10 -0.05 2.63 -7.23 -0.02 -4.93 120.40 117.76 2joq s VAL 66 Ca 0.54 -0.31 -0.24 0.00 -1.81 0.00 0.00 61.98 60.16 2joq s VAL 66 Cb -0.22 -2.76 -0.19 0.00 0.56 0.00 0.00 36.38 33.77 2joq s VAL 66 CO 0.17 0.54 1.03 -1.28 -0.31 0.00 0.00 175.10 175.25 2joq h SER 67 N 5.98 -0.08 -0.23 4.85 0.87 -1.96 -2.52 113.55 120.46 2joq h SER 67 Ca -0.41 -0.51 0.00 0.00 -1.23 0.00 0.00 61.79 59.65 2joq h SER 67 Cb 1.19 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2joq h SER 67 CO 0.59 0.51 0.00 -0.46 -0.53 0.00 0.00 176.83 176.95 2joq n ASN 68 N -4.85 0.00 0.26 6.23 0.23 -1.26 -3.69 115.26 112.18 2joq n ASN 68 Ca -0.08 -0.16 0.16 0.00 -0.53 0.00 0.00 54.58 53.97 2joq n ASN 68 Cb 0.29 0.00 0.60 0.00 -2.08 0.00 0.00 39.78 38.59 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 0.00 -0.59 -3.83 4.81 -2.00 -2.96 114.58 110.01 2joq h GLU 69 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2joq h GLU 69 Cb 0.00 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 2joq h GLU 69 CO 0.00 0.03 0.26 0.77 -0.73 0.00 0.00 179.01 179.34 2joq h SER 70 N 0.00 0.80 -0.10 1.04 0.02 -2.01 -3.12 113.55 110.18 2joq h SER 70 Ca -0.00 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 2joq h SER 70 Cb 0.60 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 2joq h SER 70 CO 0.00 0.73 0.03 -0.33 -1.14 0.00 0.00 176.83 176.13 2joq h GLU 71 N 0.81 0.16 0.00 3.45 3.07 -1.93 -2.21 114.58 117.93 2joq h GLU 71 Ca 0.20 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 2joq h GLU 71 Cb 0.17 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 2joq h GLU 71 CO -0.02 0.32 0.00 0.07 -1.40 0.00 0.00 179.01 177.98 2joq h ARG 72 N -0.02 0.00 0.04 2.33 -0.00 -1.60 -0.03 114.38 115.10 2joq h ARG 72 Ca 0.03 0.00 -0.35 0.00 -0.00 0.00 0.00 59.98 59.67 2joq h ARG 72 Cb 0.23 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 30.15 2joq h ARG 72 CO -0.00 0.00 -1.95 0.09 -0.00 0.00 0.00 179.97 178.11 2joq n ASN 73 N -2.36 1.98 -0.16 0.08 3.02 -1.08 -3.91 115.26 112.84 2joq n ASN 73 Ca -0.02 0.25 -0.09 0.00 -0.03 0.00 0.00 54.58 54.69 2joq n ASN 73 Cb 0.04 -0.82 -0.00 0.00 -0.61 0.00 0.00 39.78 38.39 2joq n ASN 73 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 2joq h GLU 74 N -0.52 0.72 -0.50 3.52 4.11 -0.60 -2.62 114.58 118.69 2joq h GLU 74 Ca -0.48 -0.17 -0.04 0.00 0.07 0.00 0.00 59.36 58.73 2joq h GLU 74 Cb 1.68 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.82 2joq h GLU 74 CO -0.15 0.72 0.13 0.82 0.07 0.00 0.00 179.01 180.60 2joq h ILE 75 N 0.59 1.21 -0.74 -1.06 2.04 -1.28 0.55 117.51 118.81 2joq h ILE 75 Ca 0.14 -0.74 0.05 0.00 1.00 0.00 0.00 64.86 65.31 2joq h ILE 75 Cb 0.32 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 2joq h ILE 75 CO 0.00 0.28 0.49 0.15 0.00 0.00 0.00 178.15 179.07 2joq h PHE 76 N 0.73 0.83 0.02 1.37 3.57 -1.59 -1.73 116.94 120.13 2joq h PHE 76 Ca 0.16 0.02 -0.27 0.00 3.53 0.00 0.00 57.97 61.42 2joq h PHE 76 Cb 0.26 -0.27 0.02 0.00 2.79 0.00 0.00 35.95 38.74 2joq h PHE 76 CO 0.01 0.45 -1.07 1.96 -2.23 0.00 0.00 178.31 177.44 2joq h GLN 77 N 0.83 0.64 -0.90 1.11 4.20 -0.80 -3.27 115.11 116.92 2joq h GLN 77 Ca 0.31 -0.72 0.10 0.00 0.06 0.00 0.00 58.65 58.40 2joq h GLN 77 Cb 0.18 0.21 -0.08 0.00 0.30 0.00 0.00 27.48 28.09 2joq h GLN 77 CO -0.10 1.30 0.54 0.87 -0.67 0.00 0.00 178.83 180.77 2joq h LYS 78 N 0.34 0.87 0.00 1.46 1.79 -0.20 -0.31 116.57 120.52 2joq h LYS 78 Ca -0.13 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.27 2joq h LYS 78 Cb 1.72 -0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 32.18 2joq h LYS 78 CO 0.21 0.58 -0.06 0.82 -1.08 0.00 0.00 179.45 179.91 2joq h ILE 79 N 0.90 0.97 0.00 1.86 2.04 -1.39 -1.15 117.51 120.74 2joq h ILE 79 Ca 0.43 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 66.07 2joq h ILE 79 Cb 0.38 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 2joq h ILE 79 CO -0.25 0.06 -0.03 -1.28 0.00 0.00 0.00 178.15 176.65 2joq h SER 80 N 0.00 0.00 0.31 1.72 0.87 -1.14 -3.25 113.55 112.06 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 0.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2joq h SER 80 CO 0.01 0.03 0.00 0.00 -0.53 0.00 0.00 176.83 176.34 2joq n GLN 81 N -3.11 0.21 0.19 2.24 6.02 -0.43 -2.51 117.38 119.98 2joq n GLN 81 Ca 0.03 0.14 0.09 0.00 -0.01 0.00 0.00 57.00 57.26 2joq n GLN 81 Cb 0.51 -1.50 0.12 0.00 1.02 0.00 0.00 30.24 30.39 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 -1.70 -3.47 115.31 114.60 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 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2joq h LEU 82 CO 0.00 0.14 0.00 -0.67 0.09 0.00 0.00 178.44 178.00 2joq n ASP 83 N -3.10 0.00 0.26 -0.43 2.03 -1.04 -4.63 116.55 109.64 2joq n ASP 83 Ca 0.03 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.43 2joq n ASP 83 Cb 0.59 0.00 0.67 0.00 -0.72 0.00 0.00 41.12 41.66 2joq n ASP 83 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2joq h LYS 84 N 0.00 0.00 -6.63 -0.67 1.57 -1.91 -3.42 116.57 105.51 2joq h LYS 84 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 2joq h LYS 84 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2joq h LYS 84 CO 0.00 0.05 0.41 0.54 -0.57 0.00 0.00 179.45 179.88 2joq s VAL 85 N -4.84 4.17 -0.16 0.50 0.11 -1.26 -3.09 120.40 115.83 2joq s VAL 85 Ca -0.05 1.88 0.14 0.00 -2.93 0.00 0.00 61.98 61.02 2joq s VAL 85 Cb 0.16 -4.20 -0.20 0.00 -1.53 0.00 0.00 36.38 30.61 2joq s VAL 85 CO 0.65 0.33 0.05 1.33 -3.33 0.00 0.00 175.10 174.13 2joq n VAL 86 N 2.43 1.10 -3.68 2.04 0.24 -0.12 -4.93 118.33 115.40 2joq n VAL 86 Ca 0.02 -0.68 -0.24 0.00 -2.04 0.00 0.00 64.34 61.40 2joq n VAL 86 Cb 0.48 -0.58 -0.17 0.00 -1.47 0.00 0.00 33.84 32.09 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 -2.39 0.20 -0.24 7.34 0.74 -0.98 -5.06 119.66 119.27 2joq s GLN 87 Ca -0.08 0.06 -0.09 0.00 0.05 0.00 0.00 55.36 55.30 2joq s GLN 87 Cb 0.05 -1.27 -0.04 0.00 1.10 0.00 0.00 33.01 32.84 2joq s GLN 87 CO 0.65 -0.49 0.13 0.95 -0.55 0.00 0.00 175.29 175.99 2joq s THR 88 N 2.08 4.96 -0.23 -0.34 -4.23 -1.26 -1.43 115.64 115.18 2joq s THR 88 Ca 0.03 0.04 -0.01 0.00 -1.18 0.00 0.00 61.69 60.57 2joq s THR 88 Cb -0.14 -3.32 0.02 0.00 1.34 0.00 0.00 72.50 70.40 2joq s THR 88 CO -0.06 0.34 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.51 2joq s LEU 89 N 1.30 2.96 -0.45 4.79 1.02 -0.12 -5.00 118.68 123.17 2joq s LEU 89 Ca 0.06 -0.75 0.07 0.00 0.02 0.00 0.00 54.13 53.53 2joq s LEU 89 Cb -0.14 -1.64 0.27 0.00 0.02 0.00 0.00 46.19 44.69 2joq s LEU 89 CO 0.06 -0.09 0.82 0.61 0.02 0.00 0.00 176.35 177.77 2joq n GLY 90 N 4.68 1.14 0.00 -3.19 0.00 -1.26 -0.53 105.19 106.03 2joq n GLY 90 Ca -0.17 -0.46 0.14 0.00 0.00 0.00 0.00 46.02 45.52 2joq n GLY 90 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06