#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 1.23 3.55 1.08 0.00 -1.26 -4.35 105.19 105.44 2joq n GLY 2 Ca 0.00 0.45 -0.42 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 3.08 0.74 1.61 5.65 -1.26 -5.05 115.29 120.06 2joq s HIS 3 Ca 0.00 0.21 -0.14 0.00 0.25 0.00 0.00 55.06 55.38 2joq s HIS 3 Cb 0.00 -3.36 0.04 0.00 -1.18 0.00 0.00 32.58 28.08 2joq s HIS 3 CO 0.00 -0.80 1.15 -1.64 -0.65 0.00 0.00 174.74 172.81 2joq s MET 4 N 2.93 2.22 0.30 2.88 1.00 -1.26 -4.92 119.30 122.45 2joq s MET 4 Ca 0.26 1.54 0.05 0.00 0.00 0.00 0.00 55.69 57.54 2joq s MET 4 Cb -0.14 -1.87 0.71 0.00 0.00 0.00 0.00 34.83 33.53 2joq s MET 4 CO 0.18 -1.72 1.77 -1.35 0.00 0.00 0.00 175.02 173.89 2joq h PRO 5 N -0.49 0.69 -6.28 2.03 0.11 -1.97 -3.34 132.00 122.76 2joq h PRO 5 Ca -0.46 -0.04 -0.54 0.00 0.11 0.00 0.00 66.00 65.07 2joq h PRO 5 Cb 1.27 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 2joq h PRO 5 CO 0.50 0.45 1.18 -1.12 -0.21 0.00 0.00 178.00 178.81 2joq s SER 6 N -5.39 5.88 0.44 -2.05 0.01 -1.26 -4.85 113.70 106.48 2joq s SER 6 Ca -0.11 0.38 0.11 0.00 1.31 0.00 0.00 55.95 57.63 2joq s SER 6 Cb 0.25 -2.54 0.98 0.00 0.21 0.00 0.00 66.02 64.92 2joq s SER 6 CO 0.80 -1.89 2.05 -0.78 0.41 0.00 0.00 173.24 173.82 2joq h ASP 7 N 12.21 0.23 -2.02 2.44 3.58 -1.98 -3.38 116.42 127.49 2joq h ASP 7 Ca -0.27 -0.02 -0.51 0.00 0.42 0.00 0.00 57.03 56.65 2joq h ASP 7 Cb 1.12 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 42.09 2joq h ASP 7 CO 1.18 0.23 1.40 -0.44 -2.88 0.00 0.00 179.24 178.73 2joq s SER 8 N -6.88 5.21 0.30 2.28 0.01 -1.26 -4.95 113.70 108.41 2joq s SER 8 Ca -0.06 0.67 -0.29 0.00 1.31 0.00 0.00 55.95 57.57 2joq s SER 8 Cb 0.17 -2.52 -0.10 0.00 0.21 0.00 0.00 66.02 63.77 2joq s SER 8 CO 0.71 -2.36 1.45 -0.54 0.41 0.00 0.00 173.24 172.91 2joq s LYS 9 N 7.04 4.23 0.06 12.44 1.02 -1.26 -4.93 119.74 138.34 2joq s LYS 9 Ca 0.76 2.38 -0.31 0.00 0.02 0.00 0.00 55.97 58.82 2joq s LYS 9 Cb -0.15 -3.06 -0.08 0.00 -0.52 0.00 0.00 37.83 34.01 2joq s LYS 9 CO 0.24 -0.43 1.68 0.15 -0.92 0.00 0.00 175.35 176.07 2joq s LYS 10 N -0.98 4.19 -0.31 1.68 3.01 -1.26 -4.87 119.74 121.19 2joq s LYS 10 Ca 0.57 2.35 -0.34 0.00 -1.01 0.00 0.00 55.97 57.54 2joq s LYS 10 Cb -0.43 -3.66 -0.10 0.00 -1.01 0.00 0.00 37.83 32.62 2joq s LYS 10 CO 0.49 -0.76 2.18 -2.30 0.51 0.00 0.00 175.35 175.47 2joq n PRO 11 N 5.84 1.27 -1.79 -1.68 -0.02 -1.26 -4.85 135.00 132.51 2joq n PRO 11 Ca 0.16 0.35 -0.43 0.00 -2.02 0.00 0.00 63.50 61.57 2joq n PRO 11 Cb 0.41 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.26 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 7.32 3.23 0.05 3.45 2.01 -1.26 -4.94 115.64 125.50 2joq s THR 12 Ca 1.07 0.23 -0.27 0.00 0.31 0.00 0.00 61.69 63.04 2joq s THR 12 Cb -0.76 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 68.38 2joq s THR 12 CO 0.47 -0.20 0.83 -0.63 -0.69 0.00 0.00 174.62 174.39 2joq s ILE 13 N 7.73 4.71 -0.13 1.82 -1.09 -1.26 -5.02 121.20 127.96 2joq s ILE 13 Ca 0.90 1.76 -0.29 0.00 -2.23 0.00 0.00 60.65 60.79 2joq s ILE 13 Cb -0.28 -4.18 -0.01 0.00 -1.58 0.00 0.00 42.46 36.42 2joq s ILE 13 CO 0.34 0.33 1.03 -0.63 -1.23 0.00 0.00 174.94 174.78 2joq s ILE 14 N 0.12 4.71 -0.06 2.92 -1.09 -1.26 -5.05 121.20 121.50 2joq s ILE 14 Ca 0.42 2.00 0.01 0.00 -2.23 0.00 0.00 60.65 60.85 2joq s ILE 14 Cb -0.21 -4.29 -0.03 0.00 -1.58 0.00 0.00 42.46 36.35 2joq s ILE 14 CO 0.25 -0.04 -0.06 -0.31 -1.23 0.00 0.00 174.94 173.54 2joq s TYR 15 N 2.32 2.94 0.71 3.97 1.51 -1.26 -4.06 117.35 123.48 2joq s TYR 15 Ca 0.48 0.02 -0.10 0.00 -1.01 0.00 0.00 57.07 56.47 2joq s TYR 15 Cb -0.18 -1.70 0.03 0.00 -0.11 0.00 0.00 41.96 40.00 2joq s TYR 15 CO 0.15 0.34 1.07 -1.25 -1.11 0.00 0.00 175.55 174.75 2joq s PRO 16 N -0.89 2.57 0.03 -1.71 0.04 -1.26 -5.03 135.00 128.76 2joq s PRO 16 Ca 0.13 0.19 -0.27 0.00 0.04 0.00 0.00 61.00 61.08 2joq s PRO 16 Cb -0.11 -2.08 0.08 0.00 0.04 0.00 0.00 34.50 32.43 2joq s PRO 16 CO 0.02 -1.12 0.68 0.00 0.04 0.00 0.00 177.00 176.62 2joq s LEU 18 N -1.94 3.42 0.08 0.00 1.43 -1.26 -0.75 118.68 119.66 2joq s LEU 18 Ca -0.04 -0.19 -0.15 0.00 -1.03 0.00 0.00 54.13 52.72 2joq s LEU 18 Cb -0.01 -2.87 -0.06 0.00 0.03 0.00 0.00 46.19 43.28 2joq s LEU 18 CO -0.02 -1.61 0.48 0.86 0.23 0.00 0.00 176.35 176.30 2joq s TRP 19 N 5.16 3.68 -0.18 0.29 -0.11 0.10 -4.84 118.94 123.04 2joq s TRP 19 Ca 0.38 1.04 -0.07 0.00 1.22 0.00 0.00 56.10 58.66 2joq s TRP 19 Cb -0.08 -2.33 -0.04 0.00 -1.50 0.00 0.00 33.47 29.51 2joq s TRP 19 CO 0.20 0.54 0.06 0.16 -4.62 0.00 0.00 176.95 173.29 2joq s ASP 20 N -1.41 5.58 -0.25 5.86 -4.77 -1.26 -1.74 116.67 118.68 2joq s ASP 20 Ca 0.31 0.06 -0.02 0.00 -3.30 0.00 0.00 52.55 49.60 2joq s ASP 20 Cb -0.16 -1.96 0.03 0.00 -1.09 0.00 0.00 42.92 39.74 2joq s ASP 20 CO 0.17 0.17 -0.05 -0.31 0.70 0.00 0.00 175.17 175.85 2joq s TYR 21 N 0.41 3.08 -0.47 2.11 2.02 0.47 -4.78 117.35 120.20 2joq s TYR 21 Ca 0.03 -1.54 -0.27 0.00 -0.37 0.00 0.00 57.07 54.92 2joq s TYR 21 Cb -0.13 -2.07 0.03 0.00 -0.40 0.00 0.00 41.96 39.39 2joq s TYR 21 CO 0.00 -0.72 1.00 0.50 -1.57 0.00 0.00 175.55 174.76 2joq s ARG 22 N 1.33 3.60 -0.39 -0.62 6.06 -0.93 -1.25 118.95 126.75 2joq s ARG 22 Ca 0.00 0.31 -0.07 0.00 -2.50 0.00 0.00 55.73 53.46 2joq s ARG 22 Cb -0.17 -3.92 0.07 0.00 0.06 0.00 0.00 34.95 30.99 2joq s ARG 22 CO -0.04 -1.28 0.20 0.08 -2.50 0.00 0.00 175.30 171.76 2joq s VAL 23 N 4.01 3.93 -0.47 7.11 1.01 -0.10 -1.23 120.40 134.66 2joq s VAL 23 Ca 0.41 -1.44 -0.15 0.00 0.00 0.00 0.00 61.98 60.80 2joq s VAL 23 Cb -0.09 -3.40 0.08 0.00 0.00 0.00 0.00 36.38 32.97 2joq s VAL 23 CO 0.28 -0.44 0.39 -0.63 0.00 0.00 0.00 175.10 174.70 2joq s ILE 24 N 1.37 5.13 0.30 2.22 1.01 -0.41 -0.13 121.20 130.68 2joq s ILE 24 Ca 0.02 -1.14 0.09 0.00 0.00 0.00 0.00 60.65 59.63 2joq s ILE 24 Cb -0.22 -4.09 -0.05 0.00 0.01 0.00 0.00 42.46 38.11 2joq s ILE 24 CO 0.01 -0.60 0.01 -0.04 0.00 0.00 0.00 174.94 174.32 2joq s MET 25 N 1.62 2.22 0.00 2.79 -1.94 -0.62 -0.90 119.30 122.46 2joq s MET 25 Ca 0.04 -1.54 0.28 0.00 -1.71 0.00 0.00 55.69 52.77 2joq s MET 25 Cb -0.25 -2.09 1.13 0.00 2.01 0.00 0.00 34.83 35.64 2joq s MET 25 CO 0.06 0.27 1.79 0.25 -0.01 0.00 0.00 175.02 177.38 2joq n THR 26 N -0.93 0.00 -4.21 2.05 -2.24 -0.32 -0.51 114.28 108.11 2joq n THR 26 Ca -0.05 -0.21 -0.17 0.00 -2.27 0.00 0.00 64.05 61.34 2joq n THR 26 Cb 0.60 0.38 -0.11 0.00 -2.10 0.00 0.00 70.33 69.10 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 -2.03 1.21 -2.28 4.28 -1.32 -1.26 -4.88 115.64 109.35 2joq s THR 27 Ca 0.38 -1.62 0.21 0.00 -1.21 0.00 0.00 61.69 59.45 2joq s THR 27 Cb 0.21 -1.41 0.46 0.00 -1.51 0.00 0.00 72.50 70.25 2joq s THR 27 CO 0.35 -0.41 1.44 0.29 -2.21 0.00 0.00 174.62 174.09 2joq n LYS 28 N 0.68 2.27 -1.96 7.08 5.02 -1.26 -4.71 118.16 125.27 2joq n LYS 28 Ca -0.17 -1.93 -0.39 0.00 -2.02 0.00 0.00 58.31 53.80 2joq n LYS 28 Cb 0.57 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 34.08 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 1.11 3.72 -4.46 4.39 2.03 -1.26 -4.89 116.55 117.19 2joq n ASP 29 Ca 0.19 -2.79 -0.43 0.00 0.52 0.00 0.00 54.79 52.27 2joq n ASP 29 Cb 0.50 -1.60 -0.04 0.00 -0.72 0.00 0.00 41.12 39.27 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 5.95 4.28 0.27 5.18 -1.32 -1.26 -4.59 115.64 124.15 2joq s THR 30 Ca 0.57 -0.36 0.00 0.00 -1.21 0.00 0.00 61.69 60.69 2joq s THR 30 Cb 0.07 -4.72 0.00 0.00 -1.51 0.00 0.00 72.50 66.34 2joq s THR 30 CO 0.07 -1.51 0.00 -1.54 -2.21 0.00 0.00 174.62 169.42 2joq n SER 31 N 7.83 -0.04 -0.25 8.08 3.41 -1.26 -4.70 113.62 126.69 2joq n SER 31 Ca -0.01 0.46 0.17 0.00 -0.26 0.00 0.00 58.87 59.22 2joq n SER 31 Cb 0.46 0.33 0.46 0.00 -0.26 0.00 0.00 64.21 65.20 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 0.72 -0.68 6.66 2.02 -2.00 -0.34 112.91 119.30 2joq h THR 32 Ca 0.00 -0.18 -0.05 0.00 0.77 0.00 0.00 66.41 66.95 2joq h THR 32 Cb 0.00 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.55 2joq h THR 32 CO 0.00 0.09 0.23 0.25 0.37 0.00 0.00 175.52 176.46 2joq h LEU 33 N 0.51 0.98 -0.19 2.58 5.85 -1.88 -2.88 115.31 120.27 2joq h LEU 33 Ca 0.47 -0.20 -0.16 0.00 0.84 0.00 0.00 57.88 58.83 2joq h LEU 33 Cb 1.02 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.79 2joq h LEU 33 CO -0.20 0.91 -0.50 0.11 -0.34 0.00 0.00 178.44 178.43 2joq h LYS 34 N 0.98 0.67 -0.48 1.25 1.57 -1.38 -3.09 116.57 116.09 2joq h LYS 34 Ca 0.22 -0.47 0.09 0.00 -1.87 0.00 0.00 60.65 58.63 2joq h LYS 34 Cb 0.28 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.58 2joq h LYS 34 CO -0.01 1.09 -0.04 0.93 -0.57 0.00 0.00 179.45 180.85 2joq h GLU 35 N 0.36 0.07 -0.18 3.15 4.39 -1.18 0.89 114.58 122.09 2joq h GLU 35 Ca -0.01 -0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 2joq h GLU 35 Cb 1.11 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 2joq h GLU 35 CO 0.11 0.05 -0.15 1.37 -1.16 0.00 0.00 179.01 179.23 2joq h LEU 36 N 0.07 0.29 -0.22 1.33 8.10 -1.54 -2.68 115.31 120.66 2joq h LEU 36 Ca 0.24 -0.07 -0.19 0.00 0.11 0.00 0.00 57.88 57.97 2joq h LEU 36 Cb 0.36 -0.08 0.00 0.00 -0.44 0.00 0.00 40.66 40.51 2joq h LEU 36 CO -0.43 0.46 -0.62 -0.07 -4.11 0.00 0.00 178.44 173.68 2joq h LEU 37 N 0.28 0.92 -1.27 0.17 3.38 -1.04 -3.23 115.31 114.53 2joq h LEU 37 Ca 0.05 -0.58 -0.03 0.00 0.09 0.00 0.00 57.88 57.42 2joq h LEU 37 Cb 0.44 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2joq h LEU 37 CO 0.03 1.34 -0.13 -0.33 0.09 0.00 0.00 178.44 179.43 2joq h GLU 38 N 0.56 0.00 -0.33 1.13 5.08 -0.58 -3.01 114.58 117.43 2joq h GLU 38 Ca -0.01 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2joq h GLU 38 Cb 1.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 2joq h GLU 38 CO 0.13 0.13 0.22 1.79 -1.00 0.00 0.00 179.01 180.29 2joq h THR 39 N 0.00 0.97 0.00 1.13 1.35 -1.51 0.19 112.91 115.05 2joq h THR 39 Ca -0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 2joq h THR 39 Cb 0.64 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 2joq h THR 39 CO 0.02 0.05 0.00 -1.22 -0.25 0.00 0.00 175.52 174.11 2joq n TYR 40 N -4.48 0.00 -1.84 4.73 4.01 -1.14 -4.88 117.16 113.56 2joq n TYR 40 Ca 0.03 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.60 2joq n TYR 40 Cb 0.21 -0.24 -0.05 0.00 -0.31 0.00 0.00 39.34 38.95 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 -1.24 -1.57 -4.24 -0.72 1.13 0.68 -4.96 117.38 106.47 2joq n GLN 41 Ca 0.15 0.98 -0.25 0.00 -1.94 0.00 0.00 57.00 55.94 2joq n GLN 41 Cb 0.20 -5.42 -0.07 0.00 0.11 0.00 0.00 30.24 25.06 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 -4.06 2.37 0.43 -1.09 1.70 -1.26 -5.11 118.95 111.93 2joq s ARG 42 Ca 0.00 -1.23 -0.25 0.00 -0.47 0.00 0.00 55.73 53.79 2joq s ARG 42 Cb 0.00 -2.28 -0.08 0.00 -0.57 0.00 0.00 34.95 32.02 2joq s ARG 42 CO 0.00 0.42 1.21 -1.25 -1.08 0.00 0.00 175.30 174.60 2joq s PRO 43 N -3.27 3.90 0.05 3.89 0.04 -1.26 -4.82 135.00 133.53 2joq s PRO 43 Ca 0.29 1.92 -0.10 0.00 0.04 0.00 0.00 61.00 63.15 2joq s PRO 43 Cb -0.08 -2.60 0.01 0.00 0.04 0.00 0.00 34.50 31.87 2joq s PRO 43 CO 0.19 -0.48 0.22 -0.59 0.04 0.00 0.00 177.00 176.39 2joq s PHE 44 N -1.41 0.03 -0.18 0.56 -0.71 -1.26 -4.07 117.98 110.94 2joq s PHE 44 Ca 0.60 -0.28 -0.01 0.00 -1.04 0.00 0.00 56.93 56.20 2joq s PHE 44 Cb -0.32 -0.00 0.00 0.00 -1.21 0.00 0.00 43.02 41.49 2joq s PHE 44 CO 0.40 -0.47 -0.13 0.21 -1.34 0.00 0.00 175.22 173.89 2joq s LYS 45 N -2.85 3.23 -0.31 1.99 2.20 -0.35 -4.95 119.74 118.70 2joq s LYS 45 Ca -0.03 -0.73 -0.10 0.00 -0.36 0.00 0.00 55.97 54.75 2joq s LYS 45 Cb 0.00 -2.72 -0.01 0.00 -1.51 0.00 0.00 37.83 33.58 2joq s LYS 45 CO -0.05 -0.08 0.17 -1.17 -0.36 0.00 0.00 175.35 173.86 2joq s LEU 46 N 1.07 4.16 0.09 5.43 2.96 -1.26 -1.90 118.68 129.23 2joq s LEU 46 Ca -0.00 -0.46 0.08 0.00 -0.22 0.00 0.00 54.13 53.53 2joq s LEU 46 Cb -0.15 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 2joq s LEU 46 CO -0.03 -0.19 -0.20 -1.61 -1.32 0.00 0.00 176.35 173.00 2joq s GLU 47 N 1.64 1.09 -0.37 1.98 2.02 -0.11 -4.99 118.70 119.97 2joq s GLU 47 Ca 0.05 -1.11 -0.10 0.00 0.02 0.00 0.00 54.97 53.83 2joq s GLU 47 Cb -0.17 -1.31 0.03 0.00 0.10 0.00 0.00 34.13 32.78 2joq s GLU 47 CO 0.07 0.31 0.19 0.12 0.02 0.00 0.00 175.26 175.96 2joq s PHE 48 N -1.14 3.24 0.00 1.61 5.36 -1.26 -0.70 117.98 125.09 2joq s PHE 48 Ca 0.05 -1.04 0.00 0.00 -0.96 0.00 0.00 56.93 54.98 2joq s PHE 48 Cb -0.10 -2.41 0.00 0.00 -0.34 0.00 0.00 43.02 40.17 2joq s PHE 48 CO 0.04 -0.66 0.00 1.63 -1.46 0.00 0.00 175.22 174.77 2joq n LYS 49 N 4.96 0.00 -4.20 10.12 4.76 0.57 -4.98 118.16 129.38 2joq n LYS 49 Ca -0.12 0.38 -0.16 0.00 -2.87 0.00 0.00 58.31 55.53 2joq n LYS 49 Cb 0.46 -0.87 -0.07 0.00 -1.84 0.00 0.00 35.03 32.71 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 -2.89 1.11 -0.05 4.39 -0.87 -1.16 -5.02 114.94 110.45 2joq s ASN 50 Ca 0.00 -1.58 -0.10 0.00 -1.57 0.00 0.00 52.86 49.61 2joq s ASN 50 Cb 0.00 0.55 0.02 0.00 -0.02 0.00 0.00 41.25 41.80 2joq s ASN 50 CO 0.00 -1.08 0.24 0.28 -2.57 0.00 0.00 177.10 173.97 2joq s THR 51 N -3.51 0.04 0.87 1.60 -1.32 -1.26 -0.51 115.64 111.55 2joq s THR 51 Ca 0.37 -0.30 -0.11 0.00 -1.21 0.00 0.00 61.69 60.44 2joq s THR 51 Cb 0.02 -0.45 0.12 0.00 -1.51 0.00 0.00 72.50 70.68 2joq s THR 51 CO 0.22 -0.16 1.16 -0.55 -2.21 0.00 0.00 174.62 173.07 2joq s SER 52 N -0.63 3.25 0.48 8.08 0.15 -0.31 -4.86 113.70 119.85 2joq s SER 52 Ca -0.07 2.20 0.16 0.00 0.70 0.00 0.00 55.95 58.94 2joq s SER 52 Cb -0.04 -2.57 1.13 0.00 -1.71 0.00 0.00 66.02 62.83 2joq s SER 52 CO 0.02 -2.89 2.05 0.11 1.20 0.00 0.00 173.24 173.73 2joq h LYS 53 N -1.54 0.00 -0.01 5.44 6.56 -2.02 0.58 116.57 125.58 2joq h LYS 53 Ca -0.44 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.15 2joq h LYS 53 Cb 1.27 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.93 2joq h LYS 53 CO 0.44 0.13 -0.12 0.27 -2.06 0.00 0.00 179.45 178.10 2joq n ASN 54 N -4.31 1.11 -1.04 0.86 6.94 -1.26 -4.92 115.26 112.64 2joq n ASN 54 Ca -0.03 -1.11 -0.14 0.00 -0.02 0.00 0.00 54.58 53.29 2joq n ASN 54 Cb 0.20 0.05 -0.06 0.00 -2.36 0.00 0.00 39.78 37.61 2joq n ASN 54 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2joq n ALA 55 N -0.36 -0.21 0.09 -2.53 0.00 0.19 -4.82 120.51 112.88 2joq n ALA 55 Ca 0.16 0.22 -0.04 0.00 0.00 0.00 0.00 53.44 53.77 2joq n ALA 55 Cb 0.33 -1.77 -0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 0.02 0.00 -4.90 0.00 3.64 -1.92 -3.43 116.57 109.98 2joq h LYS 56 Ca -0.28 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.43 2joq h LYS 56 Cb 1.15 0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 32.68 2joq h LYS 56 CO 0.41 0.84 -0.71 -0.06 -2.27 0.00 0.00 179.45 177.65 2joq s PHE 57 N -3.05 3.06 -0.31 1.91 0.08 -1.26 -4.07 117.98 114.34 2joq s PHE 57 Ca 0.00 -1.29 -0.08 0.00 0.12 0.00 0.00 56.93 55.68 2joq s PHE 57 Cb 0.11 -2.11 0.00 0.00 -0.57 0.00 0.00 43.02 40.45 2joq s PHE 57 CO 0.79 -0.66 0.12 0.71 -0.10 0.00 0.00 175.22 176.09 2joq s TYR 58 N 1.40 3.17 -0.39 0.36 2.02 0.33 -1.17 117.35 123.07 2joq s TYR 58 Ca 0.02 -0.75 -0.21 0.00 -0.37 0.00 0.00 57.07 55.76 2joq s TYR 58 Cb -0.16 -2.31 0.01 0.00 -0.40 0.00 0.00 41.96 39.10 2joq s TYR 58 CO -0.03 -0.51 0.67 -1.12 -1.57 0.00 0.00 175.55 172.99 2joq s SER 59 N 1.56 6.41 0.27 2.29 0.01 0.34 -1.59 113.70 122.98 2joq s SER 59 Ca 0.04 0.00 0.07 0.00 1.31 0.00 0.00 55.95 57.37 2joq s SER 59 Cb -0.17 -2.34 -0.03 0.00 0.21 0.00 0.00 66.02 63.69 2joq s SER 59 CO 0.05 -0.69 0.25 -0.36 0.41 0.00 0.00 173.24 172.89 2joq s PHE 60 N 2.84 3.13 -0.06 2.43 0.08 0.81 -0.32 117.98 126.89 2joq s PHE 60 Ca 0.25 -0.13 -0.01 0.00 0.12 0.00 0.00 56.93 57.16 2joq s PHE 60 Cb -0.14 -1.52 0.03 0.00 -0.57 0.00 0.00 43.02 40.82 2joq s PHE 60 CO 0.17 0.43 0.01 1.21 -0.10 0.00 0.00 175.22 176.94 2joq s ASN 61 N -3.90 1.27 -0.20 1.36 2.47 0.13 -0.93 114.94 115.14 2joq s ASN 61 Ca 0.35 -0.05 -0.01 0.00 0.42 0.00 0.00 52.86 53.56 2joq s ASN 61 Cb -0.08 -0.36 0.01 0.00 -1.45 0.00 0.00 41.25 39.37 2joq s ASN 61 CO 0.26 -0.17 -0.12 -0.69 -3.72 0.00 0.00 177.10 172.66 2joq s VAL 62 N 1.75 2.73 -0.34 -5.21 1.01 -0.38 -0.94 120.40 119.02 2joq s VAL 62 Ca 0.01 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 2joq s VAL 62 Cb -0.13 -2.22 0.03 0.00 0.00 0.00 0.00 36.38 34.06 2joq s VAL 62 CO -0.04 0.45 0.14 -0.94 0.00 0.00 0.00 175.10 174.71 2joq s SER 63 N 1.38 5.43 0.10 3.32 1.04 -0.80 -0.39 113.70 123.78 2joq s SER 63 Ca 0.05 -0.96 -0.01 0.00 0.48 0.00 0.00 55.95 55.51 2joq s SER 63 Cb -0.14 -1.93 -0.04 0.00 0.10 0.00 0.00 66.02 64.01 2joq s SER 63 CO -0.08 -0.31 0.01 0.00 0.98 0.00 0.00 173.24 173.84 2joq s MET 64 N 1.49 0.80 0.43 4.02 0.23 -0.71 -1.21 119.30 124.36 2joq s MET 64 Ca 0.01 -1.35 -0.22 0.00 -1.03 0.00 0.00 55.69 53.10 2joq s MET 64 Cb -0.19 0.17 -0.10 0.00 -1.53 0.00 0.00 34.83 33.19 2joq s MET 64 CO 0.04 -0.18 1.00 -1.21 -2.03 0.00 0.00 175.02 172.64 2joq s GLU 65 N -3.98 4.10 -0.06 3.16 2.02 -1.26 0.01 118.70 122.69 2joq s GLU 65 Ca 0.16 1.29 0.01 0.00 0.02 0.00 0.00 54.97 56.45 2joq s GLU 65 Cb 0.07 -2.27 0.02 0.00 0.10 0.00 0.00 34.13 32.06 2joq s GLU 65 CO -0.03 -0.16 -0.06 0.14 0.02 0.00 0.00 175.26 175.17 2joq s VAL 66 N -1.97 0.70 -0.08 2.63 -7.23 0.08 -4.82 120.40 109.71 2joq s VAL 66 Ca 0.62 -0.18 0.14 0.00 -1.81 0.00 0.00 61.98 60.76 2joq s VAL 66 Cb -0.15 -0.73 -0.18 0.00 0.56 0.00 0.00 36.38 35.89 2joq s VAL 66 CO 0.19 0.28 0.78 -1.28 -0.31 0.00 0.00 175.10 174.76 2joq h SER 67 N 7.48 0.00 -5.18 4.85 0.87 -1.95 -1.97 113.55 117.65 2joq h SER 67 Ca -0.32 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.21 2joq h SER 67 Cb 1.15 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.04 2joq h SER 67 CO 0.43 0.79 -0.01 0.54 -0.53 0.00 0.00 176.83 178.05 2joq s ASN 68 N -5.98 -0.09 0.46 6.23 6.03 -1.26 -4.33 114.94 116.01 2joq s ASN 68 Ca -0.03 -0.88 0.22 0.00 -1.03 0.00 0.00 52.86 51.13 2joq s ASN 68 Cb 0.08 0.64 1.14 0.00 -3.03 0.00 0.00 41.25 40.09 2joq s ASN 68 CO 0.82 -1.23 1.97 -0.08 -2.03 0.00 0.00 177.10 176.54 2joq h GLU 69 N 2.16 0.00 -1.00 3.55 4.81 -1.98 -2.17 114.58 119.96 2joq h GLU 69 Ca -0.24 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.15 2joq h GLU 69 Cb 1.25 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.53 2joq h GLU 69 CO 0.32 0.20 0.62 1.03 -0.73 0.00 0.00 179.01 180.46 2joq h SER 70 N 0.00 0.83 0.01 1.04 0.87 -1.99 0.32 113.55 114.63 2joq h SER 70 Ca -0.00 0.08 -0.20 0.00 -1.23 0.00 0.00 61.79 60.43 2joq h SER 70 Cb 0.46 -0.08 0.02 0.00 -0.44 0.00 0.00 62.40 62.36 2joq h SER 70 CO 0.03 0.36 -0.81 -0.33 -0.53 0.00 0.00 176.83 175.55 2joq h GLU 71 N 0.84 0.53 -0.65 2.24 5.08 -1.82 0.10 114.58 120.91 2joq h GLU 71 Ca 0.54 -0.58 0.09 0.00 -1.00 0.00 0.00 59.36 58.41 2joq h GLU 71 Cb 0.75 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.12 2joq h GLU 71 CO -0.33 1.21 0.43 -0.09 -1.00 0.00 0.00 179.01 179.23 2joq h ARG 72 N 0.10 0.53 0.00 2.33 1.12 -0.88 0.19 114.38 117.77 2joq h ARG 72 Ca -0.10 -0.03 -0.05 0.00 -1.11 0.00 0.00 59.98 58.69 2joq h ARG 72 Cb 1.50 -0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 31.33 2joq h ARG 72 CO 0.16 0.35 -0.30 -0.91 -3.11 0.00 0.00 179.97 176.16 2joq h ASN 73 N 0.55 0.00 -0.28 -3.80 2.35 -0.48 -3.24 115.58 110.67 2joq h ASN 73 Ca 0.29 -0.56 0.06 0.00 -0.55 0.00 0.00 56.30 55.54 2joq h ASN 73 Cb 0.43 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.74 2joq h ASN 73 CO -0.09 0.95 -0.09 -0.08 -1.65 0.00 0.00 177.43 176.47 2joq h GLU 74 N -1.00 -0.03 -0.63 0.81 4.81 -0.59 0.40 114.58 118.35 2joq h GLU 74 Ca -0.07 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2joq h GLU 74 Cb 0.77 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 2joq h GLU 74 CO -0.04 -0.02 0.42 0.82 -0.73 0.00 0.00 179.01 179.45 2joq h ILE 75 N -0.03 1.16 -0.64 2.32 2.04 -0.83 0.34 117.51 121.87 2joq h ILE 75 Ca 0.14 -0.30 0.07 0.00 1.00 0.00 0.00 64.86 65.77 2joq h ILE 75 Cb 0.25 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 2joq h ILE 75 CO -0.31 0.16 0.43 0.15 0.00 0.00 0.00 178.15 178.57 2joq h PHE 76 N 0.85 0.63 0.02 1.37 3.57 -1.29 -0.37 116.94 121.73 2joq h PHE 76 Ca 0.23 0.02 -0.26 0.00 3.53 0.00 0.00 57.97 61.48 2joq h PHE 76 Cb -0.09 -0.21 0.02 0.00 2.79 0.00 0.00 35.95 38.45 2joq h PHE 76 CO -0.03 0.34 -1.06 1.96 -2.23 0.00 0.00 178.31 177.29 2joq h GLN 77 N 0.63 0.61 -0.68 1.11 4.20 0.26 -3.24 115.11 117.99 2joq h GLN 77 Ca 0.28 -0.68 0.06 0.00 0.06 0.00 0.00 58.65 58.36 2joq h GLN 77 Cb 0.30 0.20 -0.05 0.00 0.30 0.00 0.00 27.48 28.23 2joq h GLN 77 CO -0.09 1.28 0.39 0.87 -0.67 0.00 0.00 178.83 180.61 2joq h LYS 78 N 0.33 0.69 0.00 1.46 1.79 0.85 -2.09 116.57 119.60 2joq h LYS 78 Ca -0.13 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.27 2joq h LYS 78 Cb 1.71 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 32.20 2joq h LYS 78 CO 0.20 0.46 -0.16 0.82 -1.08 0.00 0.00 179.45 179.69 2joq h ILE 79 N 0.71 1.03 0.00 1.86 2.04 -1.16 -1.32 117.51 120.68 2joq h ILE 79 Ca 0.30 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2joq h ILE 79 Cb 0.17 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2joq h ILE 79 CO -0.18 0.16 -0.14 0.77 0.00 0.00 0.00 178.15 178.76 2joq h SER 80 N 0.00 0.00 0.00 1.72 4.64 -1.41 -3.28 113.55 115.23 2joq h SER 80 Ca -0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2joq h SER 80 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2joq h SER 80 CO 0.02 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 2joq n GLN 81 N -2.62 0.94 0.13 4.77 6.02 -0.50 -3.19 117.38 122.93 2joq n GLN 81 Ca 0.04 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.04 2joq n GLN 81 Cb 0.48 -1.42 0.07 0.00 1.02 0.00 0.00 30.24 30.38 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 -1.67 -3.47 115.31 114.63 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 0.59 0.00 -0.67 0.09 0.00 0.00 178.44 178.45 2joq n ASP 83 N -3.34 0.00 0.29 -0.43 2.03 -1.19 -4.61 116.55 109.31 2joq n ASP 83 Ca 0.01 0.00 0.19 0.00 0.52 0.00 0.00 54.79 55.51 2joq n ASP 83 Cb 0.73 0.00 0.86 0.00 -0.72 0.00 0.00 41.12 41.98 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 -6.33 -0.67 1.57 -1.90 -3.44 116.57 105.80 2joq h LYS 84 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 2joq h LYS 84 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 2joq h LYS 84 CO 0.00 0.02 -0.00 0.54 -0.57 0.00 0.00 179.45 179.43 2joq s VAL 85 N -3.86 4.70 -0.05 0.50 0.11 -1.26 -1.18 120.40 119.36 2joq s VAL 85 Ca -0.01 1.19 0.09 0.00 -2.93 0.00 0.00 61.98 60.32 2joq s VAL 85 Cb 0.11 -3.88 -0.13 0.00 -1.53 0.00 0.00 36.38 30.94 2joq s VAL 85 CO 0.51 0.44 0.13 1.33 -3.33 0.00 0.00 175.10 174.17 2joq n VAL 86 N 1.37 0.29 -3.75 2.04 0.24 -0.08 -4.93 118.33 113.51 2joq n VAL 86 Ca -0.08 -0.30 -0.12 0.00 -2.04 0.00 0.00 64.34 61.80 2joq n VAL 86 Cb 0.51 -0.21 -0.11 0.00 -1.47 0.00 0.00 33.84 32.56 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 -2.46 0.36 -0.07 7.34 2.00 -1.01 -5.06 119.66 120.75 2joq s GLN 87 Ca -0.04 0.51 0.01 0.00 -2.00 0.00 0.00 55.36 53.84 2joq s GLN 87 Cb 0.05 0.11 0.02 0.00 0.80 0.00 0.00 33.01 33.99 2joq s GLN 87 CO 0.39 -0.08 -0.10 0.95 -0.50 0.00 0.00 175.29 175.96 2joq s THR 88 N 0.48 1.00 -0.36 -0.34 -4.23 -1.26 -1.29 115.64 109.65 2joq s THR 88 Ca -0.03 -0.36 -0.06 0.00 -1.18 0.00 0.00 61.69 60.06 2joq s THR 88 Cb -0.04 -0.96 0.06 0.00 1.34 0.00 0.00 72.50 72.90 2joq s THR 88 CO -0.03 0.34 0.14 -0.76 -0.54 0.00 0.00 174.62 173.77 2joq s LEU 89 N 1.00 4.60 0.00 4.79 2.01 -0.36 -4.81 118.68 125.91 2joq s LEU 89 Ca -0.09 -1.40 0.00 0.00 0.01 0.00 0.00 54.13 52.66 2joq s LEU 89 Cb -0.15 -1.86 0.01 0.00 0.01 0.00 0.00 46.19 44.20 2joq s LEU 89 CO -0.00 -0.40 0.61 0.61 1.01 0.00 0.00 176.35 178.18 2joq n GLY 90 N 4.77 0.89 0.00 -3.19 0.00 -1.26 -2.18 105.19 104.22 2joq n GLY 90 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2joq n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76