#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 -1.09 3.59 2.61 0.00 -1.26 -4.81 105.19 104.22 2joq n GLY 2 Ca 0.00 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.96 2.18 0.10 1.61 2.46 -1.26 -4.94 115.29 112.47 2joq s HIS 3 Ca 0.00 0.62 -0.36 0.00 0.47 0.00 0.00 55.06 55.79 2joq s HIS 3 Cb 0.00 -4.28 -0.16 0.00 -0.13 0.00 0.00 32.58 28.01 2joq s HIS 3 CO 0.00 -2.21 1.41 0.00 -2.47 0.00 0.00 174.74 171.47 2joq n MET 4 N 8.41 1.40 -1.84 2.88 0.00 -1.26 -4.82 117.12 121.89 2joq n MET 4 Ca 0.17 0.51 -0.30 0.00 0.00 0.00 0.00 57.70 58.08 2joq n MET 4 Cb 0.48 -2.18 -0.04 0.00 0.00 0.00 0.00 33.22 31.48 2joq n MET 4 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 2joq s PRO 5 N 0.68 2.29 0.74 3.17 0.02 -1.26 -4.96 135.00 135.68 2joq s PRO 5 Ca 0.83 0.51 -0.12 0.00 0.02 0.00 0.00 61.00 62.25 2joq s PRO 5 Cb -0.89 -4.69 0.04 0.00 0.02 0.00 0.00 34.50 28.97 2joq s PRO 5 CO 0.45 -3.37 1.12 -1.12 -0.33 0.00 0.00 177.00 173.75 2joq s SER 6 N 9.53 5.14 0.58 2.53 0.01 -1.26 -5.04 113.70 125.19 2joq s SER 6 Ca 0.80 1.04 -0.18 0.00 1.31 0.00 0.00 55.95 58.92 2joq s SER 6 Cb -0.12 -1.75 -0.04 0.00 0.21 0.00 0.00 66.02 64.32 2joq s SER 6 CO 0.13 -1.53 1.12 -1.81 0.41 0.00 0.00 173.24 171.57 2joq s ASP 7 N -4.40 5.51 0.16 2.44 1.11 -1.26 -4.98 116.67 115.25 2joq s ASP 7 Ca 0.59 2.12 -0.31 0.00 0.18 0.00 0.00 52.55 55.13 2joq s ASP 7 Cb -0.11 -2.57 -0.09 0.00 1.07 0.00 0.00 42.92 41.22 2joq s ASP 7 CO 0.51 -1.36 1.43 -0.55 1.18 0.00 0.00 175.17 176.38 2joq s SER 8 N -2.05 6.75 -0.16 0.27 0.15 -1.26 -4.11 113.70 113.28 2joq s SER 8 Ca 0.71 2.47 -0.05 0.00 0.70 0.00 0.00 55.95 59.78 2joq s SER 8 Cb -0.23 -2.60 0.02 0.00 -1.71 0.00 0.00 66.02 61.50 2joq s SER 8 CO 0.32 -0.68 0.10 1.17 1.20 0.00 0.00 173.24 175.35 2joq n LYS 9 N 3.44 -2.81 -4.08 5.44 3.00 -1.26 -5.04 118.16 116.85 2joq n LYS 9 Ca 0.10 2.32 -0.36 0.00 -0.00 0.00 0.00 58.31 60.37 2joq n LYS 9 Cb 0.41 -3.86 -0.07 0.00 0.00 0.00 0.00 35.03 31.51 2joq n LYS 9 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2joq s LYS 10 N -0.92 3.28 0.31 1.64 3.01 -1.26 -5.07 119.74 120.72 2joq s LYS 10 Ca -0.11 -0.25 -0.29 0.00 -1.01 0.00 0.00 55.97 54.31 2joq s LYS 10 Cb 0.01 -3.03 -0.12 0.00 -1.01 0.00 0.00 37.83 33.67 2joq s LYS 10 CO 0.54 0.73 1.47 -0.35 0.51 0.00 0.00 175.35 178.26 2joq n PRO 11 N 2.09 2.45 -2.08 -1.68 -0.04 -1.26 -4.89 135.00 129.58 2joq n PRO 11 Ca -0.19 0.86 -0.43 0.00 -0.04 0.00 0.00 63.50 63.70 2joq n PRO 11 Cb 0.54 -2.57 -0.03 0.00 -0.04 0.00 0.00 33.50 31.41 2joq n PRO 11 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2joq s THR 12 N -0.46 3.59 -0.30 0.52 2.01 -1.26 -4.96 115.64 114.78 2joq s THR 12 Ca 0.61 0.62 -0.25 0.00 0.31 0.00 0.00 61.69 62.97 2joq s THR 12 Cb -0.54 -3.76 0.01 0.00 0.01 0.00 0.00 72.50 68.22 2joq s THR 12 CO 0.55 -0.45 0.88 -0.63 -0.69 0.00 0.00 174.62 174.28 2joq s ILE 13 N 6.29 4.71 -0.39 1.82 -1.09 -1.26 -5.00 121.20 126.28 2joq s ILE 13 Ca 0.75 1.40 -0.29 0.00 -2.23 0.00 0.00 60.65 60.28 2joq s ILE 13 Cb -0.21 -4.23 0.02 0.00 -1.58 0.00 0.00 42.46 36.46 2joq s ILE 13 CO 0.33 -0.30 1.09 -0.63 -1.23 0.00 0.00 174.94 174.19 2joq s ILE 14 N 3.15 4.40 -0.09 2.92 -1.09 -1.26 -5.03 121.20 124.20 2joq s ILE 14 Ca 0.37 1.49 -0.04 0.00 -2.23 0.00 0.00 60.65 60.23 2joq s ILE 14 Cb -0.14 -4.48 -0.04 0.00 -1.58 0.00 0.00 42.46 36.22 2joq s ILE 14 CO 0.13 -0.69 0.10 -0.31 -1.23 0.00 0.00 174.94 172.94 2joq s TYR 15 N 3.95 3.45 0.65 3.97 1.51 -1.26 -3.88 117.35 125.73 2joq s TYR 15 Ca 0.46 0.39 -0.11 0.00 -1.01 0.00 0.00 57.07 56.80 2joq s TYR 15 Cb -0.10 -1.87 -0.02 0.00 -0.11 0.00 0.00 41.96 39.86 2joq s TYR 15 CO 0.22 0.64 1.05 -1.25 -1.11 0.00 0.00 175.55 175.10 2joq s PRO 16 N -1.17 3.31 0.10 -1.71 0.04 -1.26 -5.01 135.00 129.29 2joq s PRO 16 Ca 0.17 0.61 -0.26 0.00 0.04 0.00 0.00 61.00 61.56 2joq s PRO 16 Cb -0.12 -2.07 0.08 0.00 0.04 0.00 0.00 34.50 32.43 2joq s PRO 16 CO 0.06 -0.74 0.84 0.00 0.04 0.00 0.00 177.00 177.20 2joq s LEU 18 N -2.71 3.59 0.00 0.00 1.43 -1.26 -0.64 118.68 119.09 2joq s LEU 18 Ca 0.07 -0.29 -0.14 0.00 -1.03 0.00 0.00 54.13 52.74 2joq s LEU 18 Cb -0.02 -2.82 -0.06 0.00 0.03 0.00 0.00 46.19 43.33 2joq s LEU 18 CO -0.05 -1.54 0.39 0.86 0.23 0.00 0.00 176.35 176.24 2joq s TRP 19 N 4.91 3.70 -0.11 0.29 -0.11 -0.19 -4.80 118.94 122.63 2joq s TRP 19 Ca 0.36 0.94 -0.10 0.00 1.22 0.00 0.00 56.10 58.52 2joq s TRP 19 Cb -0.10 -2.25 -0.05 0.00 -1.50 0.00 0.00 33.47 29.57 2joq s TRP 19 CO 0.19 0.64 0.22 0.16 -4.62 0.00 0.00 176.95 173.54 2joq s ASP 20 N -1.16 6.47 -0.19 5.86 -4.77 -1.26 -2.05 116.67 119.57 2joq s ASP 20 Ca 0.24 0.55 0.01 0.00 -3.30 0.00 0.00 52.55 50.05 2joq s ASP 20 Cb -0.16 -2.13 0.04 0.00 -1.09 0.00 0.00 42.92 39.58 2joq s ASP 20 CO 0.13 0.31 -0.13 -0.31 0.70 0.00 0.00 175.17 175.88 2joq s TYR 21 N -0.61 2.52 -0.42 2.11 2.02 0.11 -4.72 117.35 118.36 2joq s TYR 21 Ca 0.16 -1.62 -0.26 0.00 -0.37 0.00 0.00 57.07 54.99 2joq s TYR 21 Cb -0.13 -1.71 0.02 0.00 -0.40 0.00 0.00 41.96 39.74 2joq s TYR 21 CO 0.05 -0.76 0.94 0.50 -1.57 0.00 0.00 175.55 174.72 2joq s ARG 22 N 1.36 3.69 -0.01 -0.62 6.06 -0.23 -1.02 118.95 128.19 2joq s ARG 22 Ca 0.00 0.39 0.08 0.00 -2.50 0.00 0.00 55.73 53.70 2joq s ARG 22 Cb -0.15 -3.87 -0.02 0.00 0.06 0.00 0.00 34.95 30.97 2joq s ARG 22 CO -0.09 -1.11 -0.26 0.08 -2.50 0.00 0.00 175.30 171.42 2joq s VAL 23 N 3.69 2.04 -0.07 7.11 1.01 -0.28 -1.17 120.40 132.73 2joq s VAL 23 Ca 0.38 -1.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 2joq s VAL 23 Cb -0.11 -1.71 0.03 0.00 0.00 0.00 0.00 36.38 34.59 2joq s VAL 23 CO 0.23 0.53 -0.03 -0.63 0.00 0.00 0.00 175.10 175.21 2joq s ILE 24 N -0.64 0.56 0.23 2.22 1.01 -0.92 0.54 121.20 124.19 2joq s ILE 24 Ca 0.10 -0.02 0.07 0.00 0.00 0.00 0.00 60.65 60.80 2joq s ILE 24 Cb -0.10 -0.65 -0.05 0.00 0.01 0.00 0.00 42.46 41.67 2joq s ILE 24 CO -0.00 0.28 -0.11 -0.04 0.00 0.00 0.00 174.94 175.06 2joq s MET 25 N 1.68 1.39 -0.04 2.79 -1.94 -0.47 -0.52 119.30 122.19 2joq s MET 25 Ca 0.01 -1.65 0.13 0.00 -1.71 0.00 0.00 55.69 52.48 2joq s MET 25 Cb -0.13 -1.10 0.46 0.00 2.01 0.00 0.00 34.83 36.07 2joq s MET 25 CO -0.05 0.13 1.34 0.25 -0.01 0.00 0.00 175.02 176.68 2joq n THR 26 N -0.44 0.97 -4.23 2.05 -2.24 -1.15 -0.44 114.28 108.80 2joq n THR 26 Ca -0.07 -0.72 -0.17 0.00 -2.27 0.00 0.00 64.05 60.82 2joq n THR 26 Cb 0.61 0.13 -0.14 0.00 -2.10 0.00 0.00 70.33 68.83 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 -1.58 0.54 -0.58 4.28 -1.32 -1.26 -4.84 115.64 110.88 2joq s THR 27 Ca 0.33 -0.34 0.24 0.00 -1.21 0.00 0.00 61.69 60.71 2joq s THR 27 Cb 0.20 -0.46 0.24 0.00 -1.51 0.00 0.00 72.50 70.96 2joq s THR 27 CO 0.19 0.11 1.58 0.11 -2.21 0.00 0.00 174.62 174.40 2joq h LYS 28 N 5.87 0.00 -5.35 7.08 1.57 -1.96 -3.42 116.57 120.35 2joq h LYS 28 Ca -0.29 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.83 2joq h LYS 28 Cb 1.19 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.35 2joq h LYS 28 CO 0.49 0.00 0.87 0.34 -0.57 0.00 0.00 179.45 180.58 2joq s ASP 29 N -5.09 6.47 -0.49 0.86 2.15 -1.26 -4.97 116.67 114.34 2joq s ASP 29 Ca 0.08 -1.62 -0.13 0.00 0.43 0.00 0.00 52.55 51.31 2joq s ASP 29 Cb 0.10 -2.44 0.11 0.00 -0.30 0.00 0.00 42.92 40.40 2joq s ASP 29 CO 0.66 -1.26 0.40 0.28 -0.17 0.00 0.00 175.17 175.08 2joq s THR 30 N 3.52 4.71 -0.11 1.71 -1.32 -1.26 -4.88 115.64 118.02 2joq s THR 30 Ca 0.32 -1.55 -0.13 0.00 -1.21 0.00 0.00 61.69 59.12 2joq s THR 30 Cb -0.07 -4.01 -0.04 0.00 -1.51 0.00 0.00 72.50 66.86 2joq s THR 30 CO -0.04 -0.76 -0.25 -1.20 -2.21 0.00 0.00 174.62 170.16 2joq n SER 31 N 5.07 1.62 -0.31 8.08 7.64 -1.26 -4.46 113.62 130.00 2joq n SER 31 Ca -0.11 0.27 0.12 0.00 1.01 0.00 0.00 58.87 60.16 2joq n SER 31 Cb 0.41 -0.63 0.30 0.00 -1.01 0.00 0.00 64.21 63.27 2joq n SER 31 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2joq h THR 32 N -0.72 0.56 -0.79 0.44 2.02 -1.99 0.18 112.91 112.62 2joq h THR 32 Ca 0.00 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 2joq h THR 32 Cb 0.72 0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 2joq h THR 32 CO 0.00 0.09 0.45 0.25 0.37 0.00 0.00 175.52 176.68 2joq h LEU 33 N 0.51 0.96 -0.13 2.58 6.46 -1.95 -1.72 115.31 122.01 2joq h LEU 33 Ca 0.55 -0.07 -0.24 0.00 -0.12 0.00 0.00 57.88 58.00 2joq h LEU 33 Cb 0.97 -0.24 0.01 0.00 -0.73 0.00 0.00 40.66 40.66 2joq h LEU 33 CO -0.47 0.76 -0.92 0.11 -0.62 0.00 0.00 178.44 177.30 2joq h LYS 34 N 1.09 0.62 -0.42 1.25 1.57 -0.96 -3.19 116.57 116.54 2joq h LYS 34 Ca 0.28 -0.61 0.04 0.00 -1.87 0.00 0.00 60.65 58.49 2joq h LYS 34 Cb -0.00 0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 2joq h LYS 34 CO -0.05 1.22 0.19 0.93 -0.57 0.00 0.00 179.45 181.17 2joq h GLU 35 N 0.38 0.37 -0.07 3.15 4.39 -0.38 0.17 114.58 122.58 2joq h GLU 35 Ca -0.09 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.53 2joq h GLU 35 Cb 1.56 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 30.11 2joq h GLU 35 CO 0.18 0.24 -0.22 1.37 -1.16 0.00 0.00 179.01 179.42 2joq h LEU 36 N 0.38 0.11 -0.16 1.33 8.10 -1.42 -2.18 115.31 121.48 2joq h LEU 36 Ca 0.18 -0.03 -0.23 0.00 0.11 0.00 0.00 57.88 57.92 2joq h LEU 36 Cb 0.12 -0.03 0.01 0.00 -0.44 0.00 0.00 40.66 40.32 2joq h LEU 36 CO -0.15 0.34 -0.78 -0.07 -4.11 0.00 0.00 178.44 173.67 2joq h LEU 37 N 0.11 0.95 -1.80 0.17 3.38 -1.28 -3.20 115.31 113.65 2joq h LEU 37 Ca 0.02 -0.63 -0.02 0.00 0.09 0.00 0.00 57.88 57.35 2joq h LEU 37 Cb 0.46 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2joq h LEU 37 CO 0.03 1.43 -0.05 -0.33 0.09 0.00 0.00 178.44 179.61 2joq h GLU 38 N 0.54 0.07 0.00 1.13 4.39 -0.12 -1.96 114.58 118.63 2joq h GLU 38 Ca -0.05 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2joq h GLU 38 Cb 1.42 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 2joq h GLU 38 CO 0.16 0.12 0.00 0.25 -1.16 0.00 0.00 179.01 178.38 2joq n THR 39 N -4.44 1.14 1.01 1.13 -2.24 -0.88 -0.42 114.28 109.59 2joq n THR 39 Ca -0.02 0.34 0.12 0.00 -2.27 0.00 0.00 64.05 62.22 2joq n THR 39 Cb 0.15 -1.22 0.19 0.00 -2.10 0.00 0.00 70.33 67.35 2joq n THR 39 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2joq n TYR 40 N -1.78 0.00 -3.37 4.78 4.01 -0.74 -4.96 117.16 115.09 2joq n TYR 40 Ca 0.02 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.51 2joq n TYR 40 Cb 0.14 -0.19 0.02 0.00 -0.31 0.00 0.00 39.34 39.00 2joq n TYR 40 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2joq n GLN 41 N -1.44 -4.69 -4.24 -0.72 1.13 0.44 -4.98 117.38 102.89 2joq n GLN 41 Ca 0.06 0.68 -0.18 0.00 -1.94 0.00 0.00 57.00 55.62 2joq n GLN 41 Cb 0.34 -5.51 -0.11 0.00 0.11 0.00 0.00 30.24 25.07 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 -6.05 1.02 0.66 -1.09 1.70 -1.26 -5.13 118.95 108.80 2joq s ARG 42 Ca 0.44 -1.25 -0.15 0.00 -0.47 0.00 0.00 55.73 54.30 2joq s ARG 42 Cb -0.21 -0.88 0.00 0.00 -0.57 0.00 0.00 34.95 33.29 2joq s ARG 42 CO 0.54 0.17 1.13 -1.25 -1.08 0.00 0.00 175.30 174.80 2joq s PRO 43 N -2.72 2.70 -0.03 3.89 0.04 -1.26 -4.84 135.00 132.77 2joq s PRO 43 Ca 0.09 1.49 -0.23 0.00 0.04 0.00 0.00 61.00 62.38 2joq s PRO 43 Cb -0.04 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.61 2joq s PRO 43 CO 0.03 -1.34 0.51 -0.59 0.04 0.00 0.00 177.00 175.64 2joq s PHE 44 N -2.22 -0.44 -0.53 0.56 -0.12 -1.26 -4.20 117.98 109.78 2joq s PHE 44 Ca 0.69 0.73 -0.18 0.00 -0.05 0.00 0.00 56.93 58.12 2joq s PHE 44 Cb -0.23 0.26 0.08 0.00 -0.63 0.00 0.00 43.02 42.51 2joq s PHE 44 CO 0.41 -0.51 0.57 0.21 -0.05 0.00 0.00 175.22 175.86 2joq s LYS 45 N -1.25 3.05 -0.54 1.99 2.20 0.47 -4.96 119.74 120.70 2joq s LYS 45 Ca -0.12 -1.24 -0.24 0.00 -0.36 0.00 0.00 55.97 54.01 2joq s LYS 45 Cb -0.02 -4.18 0.04 0.00 -1.51 0.00 0.00 37.83 32.15 2joq s LYS 45 CO 0.07 -1.28 0.93 -1.17 -0.36 0.00 0.00 175.35 173.55 2joq s LEU 46 N 2.25 4.11 -0.05 5.43 2.96 -1.26 -1.87 118.68 130.25 2joq s LEU 46 Ca 0.10 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 2joq s LEU 46 Cb -0.23 -2.86 -0.03 0.00 0.50 0.00 0.00 46.19 43.56 2joq s LEU 46 CO 0.08 -1.20 -0.04 -1.61 -1.32 0.00 0.00 176.35 172.25 2joq s GLU 47 N 3.90 2.77 -0.36 1.98 0.41 -0.23 -4.99 118.70 122.18 2joq s GLU 47 Ca 0.31 -0.56 -0.05 0.00 -0.41 0.00 0.00 54.97 54.26 2joq s GLU 47 Cb -0.12 -2.63 0.07 0.00 -1.78 0.00 0.00 34.13 29.66 2joq s GLU 47 CO 0.20 0.66 0.12 0.12 -0.49 0.00 0.00 175.26 175.87 2joq s PHE 48 N -0.90 3.35 -0.10 1.61 5.36 -1.26 -0.53 117.98 125.51 2joq s PHE 48 Ca 0.14 -1.80 -0.19 0.00 -0.96 0.00 0.00 56.93 54.12 2joq s PHE 48 Cb -0.11 -2.56 -0.27 0.00 -0.34 0.00 0.00 43.02 39.73 2joq s PHE 48 CO 0.04 -0.83 0.63 0.87 -1.46 0.00 0.00 175.22 174.47 2joq h LYS 49 N 8.15 0.22 -1.88 10.12 1.79 -1.59 -3.49 116.57 129.88 2joq h LYS 49 Ca -0.20 -0.37 0.22 0.00 -2.18 0.00 0.00 60.65 58.11 2joq h LYS 49 Cb 1.07 0.14 -0.14 0.00 -1.58 0.00 0.00 32.23 31.72 2joq h LYS 49 CO 0.63 1.18 0.65 1.21 -1.08 0.00 0.00 179.45 182.04 2joq s ASN 50 N -6.94 -0.18 0.05 0.86 2.47 -1.20 -5.06 114.94 104.95 2joq s ASN 50 Ca -0.19 -0.13 0.06 0.00 0.42 0.00 0.00 52.86 53.02 2joq s ASN 50 Cb 0.03 0.29 -0.03 0.00 -1.45 0.00 0.00 41.25 40.10 2joq s ASN 50 CO 0.76 -0.51 -0.18 0.28 -3.72 0.00 0.00 177.10 173.73 2joq s THR 51 N -2.81 1.43 0.80 -5.21 -1.32 -1.26 -0.37 115.64 106.90 2joq s THR 51 Ca 0.10 -1.19 -0.14 0.00 -1.21 0.00 0.00 61.69 59.25 2joq s THR 51 Cb 0.00 -1.28 0.05 0.00 -1.51 0.00 0.00 72.50 69.76 2joq s THR 51 CO -0.04 0.05 0.95 -1.54 -2.21 0.00 0.00 174.62 171.84 2joq n SER 52 N 1.70 0.17 0.23 8.08 3.41 0.03 -4.83 113.62 122.41 2joq n SER 52 Ca -0.18 0.56 0.06 0.00 -0.26 0.00 0.00 58.87 59.06 2joq n SER 52 Cb 0.54 -1.41 0.55 0.00 -0.26 0.00 0.00 64.21 63.63 2joq n SER 52 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2joq h LYS 53 N -0.82 0.00 0.00 4.33 3.64 -2.01 0.28 116.57 122.00 2joq h LYS 53 Ca -0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2joq h LYS 53 Cb 1.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 2joq h LYS 53 CO 0.44 0.16 0.00 0.27 -2.27 0.00 0.00 179.45 178.04 2joq n ASN 54 N -4.27 0.00 -1.87 4.20 0.23 -1.26 -4.91 115.26 107.38 2joq n ASN 54 Ca -0.02 0.50 -0.17 0.00 -0.53 0.00 0.00 54.58 54.35 2joq n ASN 54 Cb 0.23 -0.50 -0.02 0.00 -2.08 0.00 0.00 39.78 37.41 2joq n ASN 54 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2joq n ALA 55 N -1.50 -0.47 -0.03 -2.53 0.00 0.98 -4.86 120.51 112.10 2joq n ALA 55 Ca 0.06 0.17 0.04 0.00 0.00 0.00 0.00 53.44 53.71 2joq n ALA 55 Cb 0.32 -1.89 -0.14 0.00 0.00 0.00 0.00 19.45 17.73 2joq n ALA 55 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2joq n LYS 56 N -2.64 0.76 -4.00 0.00 3.00 -1.26 -4.90 118.16 109.12 2joq n LYS 56 Ca -0.20 -0.12 -0.34 0.00 -0.00 0.00 0.00 58.31 57.65 2joq n LYS 56 Cb 0.64 -1.45 -0.15 0.00 0.00 0.00 0.00 35.03 34.08 2joq n LYS 56 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2joq s PHE 57 N -3.02 3.07 -0.23 5.64 0.08 -1.26 -4.31 117.98 117.95 2joq s PHE 57 Ca -0.07 -1.72 -0.08 0.00 0.12 0.00 0.00 56.93 55.18 2joq s PHE 57 Cb 0.10 -2.02 -0.04 0.00 -0.57 0.00 0.00 43.02 40.49 2joq s PHE 57 CO 0.76 -0.77 0.08 0.71 -0.10 0.00 0.00 175.22 175.90 2joq s TYR 58 N 1.28 3.16 -0.38 0.36 2.02 0.42 -0.79 117.35 123.41 2joq s TYR 58 Ca -0.01 -0.16 -0.18 0.00 -0.37 0.00 0.00 57.07 56.36 2joq s TYR 58 Cb -0.17 -2.19 0.01 0.00 -0.40 0.00 0.00 41.96 39.21 2joq s TYR 58 CO -0.06 -0.13 0.48 -1.12 -1.57 0.00 0.00 175.55 173.15 2joq s SER 59 N 1.14 6.26 0.32 2.29 0.01 0.50 -1.36 113.70 122.86 2joq s SER 59 Ca 0.05 -0.28 0.07 0.00 1.31 0.00 0.00 55.95 57.10 2joq s SER 59 Cb -0.14 -2.25 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 2joq s SER 59 CO 0.04 -0.52 0.30 -0.36 0.41 0.00 0.00 173.24 173.11 2joq s PHE 60 N 2.31 2.99 -0.11 2.43 0.08 0.19 -1.48 117.98 124.39 2joq s PHE 60 Ca 0.16 -0.25 -0.04 0.00 0.12 0.00 0.00 56.93 56.92 2joq s PHE 60 Cb -0.16 -1.74 0.05 0.00 -0.57 0.00 0.00 43.02 40.60 2joq s PHE 60 CO 0.14 0.23 0.23 1.21 -0.10 0.00 0.00 175.22 176.93 2joq s ASN 61 N -3.99 0.24 -0.28 1.36 2.47 0.31 -1.12 114.94 113.93 2joq s ASN 61 Ca 0.40 0.51 -0.10 0.00 0.42 0.00 0.00 52.86 54.09 2joq s ASN 61 Cb -0.07 0.51 -0.04 0.00 -1.45 0.00 0.00 41.25 40.21 2joq s ASN 61 CO 0.27 -0.22 0.16 -0.69 -3.72 0.00 0.00 177.10 172.90 2joq s VAL 62 N 2.01 4.96 -0.35 -5.21 1.01 -0.19 -1.07 120.40 121.56 2joq s VAL 62 Ca -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 2joq s VAL 62 Cb -0.12 -3.38 0.07 0.00 0.00 0.00 0.00 36.38 32.96 2joq s VAL 62 CO -0.08 0.24 0.10 -0.44 0.00 0.00 0.00 175.10 174.92 2joq s SER 63 N 1.70 5.10 0.07 3.32 0.01 -0.78 0.08 113.70 123.20 2joq s SER 63 Ca 0.07 -1.58 0.03 0.00 1.31 0.00 0.00 55.95 55.78 2joq s SER 63 Cb -0.16 -1.78 -0.03 0.00 0.21 0.00 0.00 66.02 64.26 2joq s SER 63 CO 0.08 -0.39 -0.09 0.00 0.41 0.00 0.00 173.24 173.26 2joq s MET 64 N 1.22 0.70 -0.20 12.44 0.23 -0.87 -0.39 119.30 132.43 2joq s MET 64 Ca 0.01 -1.00 -0.29 0.00 -1.03 0.00 0.00 55.69 53.38 2joq s MET 64 Cb -0.21 -0.39 -0.02 0.00 -1.53 0.00 0.00 34.83 32.68 2joq s MET 64 CO -0.02 0.06 1.40 -1.21 -2.03 0.00 0.00 175.02 173.22 2joq s GLU 65 N -2.38 4.04 -0.19 3.16 2.02 -1.26 -1.02 118.70 123.07 2joq s GLU 65 Ca -0.01 1.61 -0.06 0.00 0.02 0.00 0.00 54.97 56.53 2joq s GLU 65 Cb -0.05 -3.89 -0.03 0.00 0.10 0.00 0.00 34.13 30.26 2joq s GLU 65 CO -0.01 -0.98 0.04 0.14 0.02 0.00 0.00 175.26 174.47 2joq s VAL 66 N 4.20 4.43 -0.22 2.63 -7.23 0.19 -4.91 120.40 119.48 2joq s VAL 66 Ca 0.61 -0.16 0.19 0.00 -1.81 0.00 0.00 61.98 60.81 2joq s VAL 66 Cb -0.22 -3.00 0.04 0.00 0.56 0.00 0.00 36.38 33.76 2joq s VAL 66 CO 0.22 0.44 1.20 -1.28 -0.31 0.00 0.00 175.10 175.37 2joq h SER 67 N 7.06 0.00 -3.18 4.85 0.87 -1.95 -2.49 113.55 118.71 2joq h SER 67 Ca -0.36 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.09 2joq h SER 67 Cb 1.18 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 2joq h SER 67 CO 0.65 0.30 0.12 -0.46 -0.53 0.00 0.00 176.83 176.90 2joq n ASN 68 N -2.96 -1.82 0.03 6.23 0.23 -1.26 -4.38 115.26 111.33 2joq n ASN 68 Ca -0.01 -2.58 -0.07 0.00 -0.53 0.00 0.00 54.58 51.39 2joq n ASN 68 Cb 0.68 3.12 -0.12 0.00 -2.08 0.00 0.00 39.78 41.38 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 -0.12 -3.83 4.81 -2.00 -3.21 114.58 110.22 2joq h GLU 69 Ca -0.29 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.90 2joq h GLU 69 Cb 1.13 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2joq h GLU 69 CO 0.38 0.81 -0.09 1.03 -0.73 0.00 0.00 179.01 180.41 2joq h SER 70 N 0.00 0.17 -0.21 1.04 0.87 -1.99 -0.47 113.55 112.96 2joq h SER 70 Ca -0.10 -0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.36 2joq h SER 70 Cb 1.84 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 63.75 2joq h SER 70 CO 0.11 0.28 -0.14 -0.33 -0.53 0.00 0.00 176.83 176.22 2joq h GLU 71 N 0.18 0.46 -0.05 2.24 5.08 -1.99 -2.56 114.58 117.94 2joq h GLU 71 Ca 0.04 -0.22 0.04 0.00 -1.00 0.00 0.00 59.36 58.21 2joq h GLU 71 Cb 0.27 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 2joq h GLU 71 CO 0.01 0.78 -0.22 -0.09 -1.00 0.00 0.00 179.01 178.49 2joq h ARG 72 N 0.15 -0.31 -0.53 2.33 2.43 -1.18 0.37 114.38 117.63 2joq h ARG 72 Ca 0.04 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2joq h ARG 72 Cb 0.66 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.26 2joq h ARG 72 CO 0.04 -0.21 0.35 -0.91 -1.51 0.00 0.00 179.97 177.74 2joq h ASN 73 N -0.32 0.59 -0.09 -3.80 2.35 -1.22 -0.99 115.58 112.10 2joq h ASN 73 Ca 0.08 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 2joq h ASN 73 Cb 0.43 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 2joq h ASN 73 CO -0.24 0.42 -0.05 -0.08 -1.65 0.00 0.00 177.43 175.84 2joq h GLU 74 N 0.69 0.19 -0.69 0.81 4.81 -0.78 -2.72 114.58 116.88 2joq h GLU 74 Ca 0.20 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 2joq h GLU 74 Cb -0.03 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 2joq h GLU 74 CO -0.05 0.55 0.33 0.82 -0.73 0.00 0.00 179.01 179.94 2joq h ILE 75 N -0.19 1.22 -0.53 2.32 2.04 0.21 0.16 117.51 122.74 2joq h ILE 75 Ca 0.02 -0.63 0.02 0.00 1.00 0.00 0.00 64.86 65.27 2joq h ILE 75 Cb 0.50 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 2joq h ILE 75 CO 0.01 0.26 0.32 0.15 0.00 0.00 0.00 178.15 178.90 2joq h PHE 76 N 0.98 0.60 -0.49 1.37 3.57 -1.19 -1.23 116.94 120.55 2joq h PHE 76 Ca 0.24 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 2joq h PHE 76 Cb 0.10 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 2joq h PHE 76 CO 0.01 0.35 0.15 1.96 -2.23 0.00 0.00 178.31 178.55 2joq h GLN 77 N 0.64 0.76 -0.53 1.11 4.20 -0.92 -2.57 115.11 117.80 2joq h GLN 77 Ca 0.21 -0.16 0.09 0.00 0.06 0.00 0.00 58.65 58.85 2joq h GLN 77 Cb 0.01 -0.11 -0.07 0.00 0.30 0.00 0.00 27.48 27.61 2joq h GLN 77 CO -0.09 0.71 0.11 0.87 -0.67 0.00 0.00 178.83 179.76 2joq h LYS 78 N 0.65 0.24 0.00 1.46 1.79 -0.24 0.14 116.57 120.61 2joq h LYS 78 Ca 0.16 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.57 2joq h LYS 78 Cb 0.27 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 2joq h LYS 78 CO -0.00 0.16 -0.18 0.82 -1.08 0.00 0.00 179.45 179.16 2joq h ILE 79 N 0.25 1.11 0.00 1.86 2.04 -1.04 -1.16 117.51 120.57 2joq h ILE 79 Ca 0.27 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.49 2joq h ILE 79 Cb 0.37 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 2joq h ILE 79 CO -0.35 0.18 -0.03 -0.24 0.00 0.00 0.00 178.15 177.71 2joq n SER 80 N -4.29 0.07 -0.02 1.72 2.88 -0.04 -3.44 113.62 110.51 2joq n SER 80 Ca -0.02 0.46 0.12 0.00 -1.33 0.00 0.00 58.87 58.10 2joq n SER 80 Cb 0.25 -0.47 0.33 0.00 -0.75 0.00 0.00 64.21 63.57 2joq n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2joq n GLN 81 N -1.54 0.07 0.20 -1.46 6.02 -0.44 -3.99 117.38 116.24 2joq n GLN 81 Ca 0.07 -0.04 0.06 0.00 -0.01 0.00 0.00 57.00 57.08 2joq n GLN 81 Cb 0.34 -1.50 0.39 0.00 1.02 0.00 0.00 30.24 30.50 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 0.09 0.00 0.00 1.08 3.38 -1.64 -3.46 115.31 114.76 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 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2joq h LEU 82 CO 0.00 0.34 0.00 -0.67 0.09 0.00 0.00 178.44 178.20 2joq n ASP 83 N -3.64 0.00 0.05 -0.43 2.03 -1.26 -4.61 116.55 108.70 2joq n ASP 83 Ca -0.01 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.39 2joq n ASP 83 Cb 0.46 0.00 0.36 0.00 -0.72 0.00 0.00 41.12 41.22 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 0.07 -3.04 -0.67 5.02 -1.26 -4.76 118.16 113.52 2joq n LYS 84 Ca 0.00 0.35 -0.38 0.00 -2.02 0.00 0.00 58.31 56.26 2joq n LYS 84 Cb 0.00 -1.65 -0.06 0.00 -0.02 0.00 0.00 35.03 33.30 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 -3.14 4.47 0.00 -0.18 0.11 -1.26 -2.95 120.40 117.45 2joq s VAL 85 Ca 0.05 1.50 0.00 0.00 -2.93 0.00 0.00 61.98 60.59 2joq s VAL 85 Cb 0.08 -3.99 0.00 0.00 -1.53 0.00 0.00 36.38 30.94 2joq s VAL 85 CO 0.28 0.37 0.37 1.33 -3.33 0.00 0.00 175.10 174.12 2joq n VAL 86 N 1.18 0.00 -3.65 2.04 0.24 0.32 -4.98 118.33 113.49 2joq n VAL 86 Ca -0.04 -0.49 -0.06 0.00 -2.04 0.00 0.00 64.34 61.71 2joq n VAL 86 Cb 0.50 1.01 -0.07 0.00 -1.47 0.00 0.00 33.84 33.82 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 -0.24 0.65 -0.17 7.34 2.00 -1.19 -5.00 119.66 123.04 2joq s GLN 87 Ca 0.00 1.24 -0.02 0.00 -2.00 0.00 0.00 55.36 54.58 2joq s GLN 87 Cb 0.00 0.29 0.05 0.00 0.80 0.00 0.00 33.01 34.15 2joq s GLN 87 CO 0.00 -0.16 0.01 0.95 -0.50 0.00 0.00 175.29 175.58 2joq s THR 88 N 1.91 0.68 -0.23 -0.34 -4.23 -1.26 -2.17 115.64 110.00 2joq s THR 88 Ca -0.09 -0.50 0.02 0.00 -1.18 0.00 0.00 61.69 59.95 2joq s THR 88 Cb -0.07 -1.04 0.05 0.00 1.34 0.00 0.00 72.50 72.77 2joq s THR 88 CO -0.19 -0.05 -0.13 -0.76 -0.54 0.00 0.00 174.62 172.94 2joq s LEU 89 N 1.80 2.87 0.00 4.79 1.02 -0.31 -4.95 118.68 123.90 2joq s LEU 89 Ca 0.00 -1.10 0.14 0.00 0.02 0.00 0.00 54.13 53.19 2joq s LEU 89 Cb -0.16 -1.48 0.33 0.00 0.02 0.00 0.00 46.19 44.90 2joq s LEU 89 CO -0.07 -0.13 1.24 0.61 0.02 0.00 0.00 176.35 178.02 2joq n GLY 90 N 4.53 2.01 0.24 -3.19 0.00 -1.26 -1.07 105.19 106.45 2joq n GLY 90 Ca -0.16 -0.47 0.03 0.00 0.00 0.00 0.00 46.02 45.41 2joq n GLY 90 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18