#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2joq s GLY 2 N 0.00 1.76 0.32 1.69 0.00 -1.26 -5.01 107.32 104.81 2joq s GLY 2 Ca 0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 44.72 44.07 2joq s GLY 2 CO 0.00 1.65 1.24 -2.38 0.00 0.00 0.00 173.10 173.62 2joq s HIS 3 N 2.76 3.21 0.64 1.90 -3.43 -1.26 -4.99 115.29 114.13 2joq s HIS 3 Ca 0.31 1.50 -0.17 0.00 -0.80 0.00 0.00 55.06 55.90 2joq s HIS 3 Cb -0.15 -3.56 -0.01 0.00 -1.43 0.00 0.00 32.58 27.43 2joq s HIS 3 CO 0.10 -1.46 1.21 -1.64 -2.00 0.00 0.00 174.74 170.95 2joq s MET 4 N -1.69 2.67 0.68 -0.38 -1.94 -1.26 -4.99 119.30 112.38 2joq s MET 4 Ca 0.48 1.81 -0.15 0.00 -1.71 0.00 0.00 55.69 56.12 2joq s MET 4 Cb -0.37 -1.89 0.01 0.00 2.01 0.00 0.00 34.83 34.59 2joq s MET 4 CO 0.49 -1.44 1.13 -1.25 -0.01 0.00 0.00 175.02 173.94 2joq s PRO 5 N -3.56 2.62 0.07 2.03 0.04 -1.26 -5.06 135.00 129.88 2joq s PRO 5 Ca 0.76 1.46 -0.27 0.00 0.04 0.00 0.00 61.00 63.00 2joq s PRO 5 Cb -0.30 -1.92 0.09 0.00 0.04 0.00 0.00 34.50 32.40 2joq s PRO 5 CO 0.38 -1.40 0.82 -1.54 0.04 0.00 0.00 177.00 175.29 2joq s SER 6 N -2.49 -0.39 0.12 6.66 1.04 -1.26 -5.05 113.70 112.34 2joq s SER 6 Ca 0.68 -0.07 -0.09 0.00 0.48 0.00 0.00 55.95 56.95 2joq s SER 6 Cb -0.22 0.47 -0.10 0.00 0.10 0.00 0.00 66.02 66.26 2joq s SER 6 CO 0.43 -0.77 1.32 -2.24 0.98 0.00 0.00 173.24 172.96 2joq h ASP 7 N 2.00 0.79 -2.75 7.02 2.03 -2.07 -3.43 116.42 120.01 2joq h ASP 7 Ca -0.25 -0.54 -0.56 0.00 -0.73 0.00 0.00 57.03 54.94 2joq h ASP 7 Cb 1.26 -0.24 -0.02 0.00 -0.83 0.00 0.00 39.33 39.50 2joq h ASP 7 CO 0.32 1.33 1.10 -0.55 -1.03 0.00 0.00 179.24 180.40 2joq s SER 8 N -7.10 6.50 0.08 4.15 0.15 -1.26 -4.98 113.70 111.24 2joq s SER 8 Ca -0.09 1.76 -0.30 0.00 0.70 0.00 0.00 55.95 58.02 2joq s SER 8 Cb 0.09 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.81 2joq s SER 8 CO 0.89 -1.14 1.01 -0.54 1.20 0.00 0.00 173.24 174.66 2joq s LYS 9 N 4.42 4.61 0.42 5.44 -0.14 -1.26 -5.03 119.74 128.19 2joq s LYS 9 Ca 0.70 1.51 -0.24 0.00 -1.36 0.00 0.00 55.97 56.58 2joq s LYS 9 Cb -0.26 -3.39 -0.08 0.00 -1.68 0.00 0.00 37.83 32.42 2joq s LYS 9 CO 0.28 0.06 1.13 0.15 -0.76 0.00 0.00 175.35 176.21 2joq s LYS 10 N 0.39 4.00 0.17 1.68 3.01 -1.26 -4.95 119.74 122.78 2joq s LYS 10 Ca 0.50 1.72 -0.33 0.00 -1.01 0.00 0.00 55.97 56.85 2joq s LYS 10 Cb -0.24 -2.56 -0.13 0.00 -1.01 0.00 0.00 37.83 33.89 2joq s LYS 10 CO 0.30 -0.33 1.60 -0.35 0.51 0.00 0.00 175.35 177.08 2joq n PRO 11 N -0.13 2.28 -1.74 -1.68 -0.04 -1.26 -4.86 135.00 127.57 2joq n PRO 11 Ca 0.05 0.82 -0.43 0.00 -0.04 0.00 0.00 63.50 63.91 2joq n PRO 11 Cb 0.48 -2.61 -0.03 0.00 -0.04 0.00 0.00 33.50 31.30 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 0.93 3.17 0.02 0.52 2.01 -1.26 -4.97 115.64 116.07 2joq s THR 12 Ca 0.78 0.18 -0.15 0.00 0.31 0.00 0.00 61.69 62.81 2joq s THR 12 Cb -0.64 -3.21 -0.06 0.00 0.01 0.00 0.00 72.50 68.60 2joq s THR 12 CO 0.37 -0.12 0.43 -0.63 -0.69 0.00 0.00 174.62 173.98 2joq s ILE 13 N 7.31 5.00 0.05 1.82 -1.09 -1.26 -5.07 121.20 127.96 2joq s ILE 13 Ca 0.92 0.83 -0.28 0.00 -2.23 0.00 0.00 60.65 59.89 2joq s ILE 13 Cb -0.31 -3.72 -0.05 0.00 -1.58 0.00 0.00 42.46 36.80 2joq s ILE 13 CO 0.35 0.53 0.90 -0.63 -1.23 0.00 0.00 174.94 174.86 2joq s ILE 14 N -1.14 4.72 -0.02 2.92 -1.09 -1.26 -5.06 121.20 120.27 2joq s ILE 14 Ca 0.26 1.92 0.06 0.00 -2.23 0.00 0.00 60.65 60.66 2joq s ILE 14 Cb -0.17 -4.26 -0.01 0.00 -1.58 0.00 0.00 42.46 36.44 2joq s ILE 14 CO 0.15 0.27 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.62 2joq s TYR 15 N 0.39 1.72 0.24 3.97 1.51 -1.26 -3.63 117.35 120.30 2joq s TYR 15 Ca 0.46 -0.34 -0.19 0.00 -1.01 0.00 0.00 57.07 55.99 2joq s TYR 15 Cb -0.21 -1.11 -0.08 0.00 -0.11 0.00 0.00 41.96 40.44 2joq s TYR 15 CO 0.27 -0.04 0.74 -1.25 -1.11 0.00 0.00 175.55 174.16 2joq s PRO 16 N -0.42 4.23 0.15 -1.71 0.05 -1.26 -5.04 135.00 131.00 2joq s PRO 16 Ca 0.07 0.87 -0.12 0.00 0.05 0.00 0.00 61.00 61.87 2joq s PRO 16 Cb -0.08 -2.80 0.01 0.00 0.05 0.00 0.00 34.50 31.68 2joq s PRO 16 CO -0.01 0.35 0.34 0.00 0.05 0.00 0.00 177.00 177.73 2joq s LEU 18 N -2.91 3.37 0.16 0.00 1.43 -1.26 -1.10 118.68 118.36 2joq s LEU 18 Ca 0.12 0.61 -0.17 0.00 -1.03 0.00 0.00 54.13 53.66 2joq s LEU 18 Cb 0.02 -2.86 -0.07 0.00 0.03 0.00 0.00 46.19 43.31 2joq s LEU 18 CO -0.04 -2.13 0.61 0.86 0.23 0.00 0.00 176.35 175.89 2joq s TRP 19 N 8.20 3.66 -0.14 0.29 -0.11 0.40 -4.76 118.94 126.48 2joq s TRP 19 Ca 0.69 1.21 -0.04 0.00 1.22 0.00 0.00 56.10 59.19 2joq s TRP 19 Cb -0.15 -2.48 -0.03 0.00 -1.50 0.00 0.00 33.47 29.31 2joq s TRP 19 CO 0.25 0.43 -0.01 0.34 -4.62 0.00 0.00 176.95 173.34 2joq s ASP 20 N -1.57 5.05 -0.08 5.86 2.15 -1.26 -1.40 116.67 125.41 2joq s ASP 20 Ca 0.38 -0.02 0.04 0.00 0.43 0.00 0.00 52.55 53.38 2joq s ASP 20 Cb -0.16 -1.71 0.00 0.00 -0.30 0.00 0.00 42.92 40.75 2joq s ASP 20 CO 0.20 0.23 -0.21 -0.31 -0.17 0.00 0.00 175.17 174.91 2joq s TYR 21 N -0.01 2.27 -0.43 -5.34 1.51 0.11 -4.54 117.35 110.93 2joq s TYR 21 Ca 0.02 -0.86 -0.20 0.00 -1.01 0.00 0.00 57.07 55.02 2joq s TYR 21 Cb -0.13 -1.53 0.02 0.00 -0.11 0.00 0.00 41.96 40.21 2joq s TYR 21 CO 0.02 -0.35 0.59 0.50 -1.11 0.00 0.00 175.55 175.20 2joq s ARG 22 N 0.31 3.26 -0.24 -0.62 6.06 -0.25 -2.32 118.95 125.14 2joq s ARG 22 Ca -0.15 -0.45 -0.04 0.00 -2.50 0.00 0.00 55.73 52.59 2joq s ARG 22 Cb -0.17 -3.95 0.00 0.00 0.06 0.00 0.00 34.95 30.90 2joq s ARG 22 CO 0.07 -0.95 -0.01 0.08 -2.50 0.00 0.00 175.30 171.98 2joq s VAL 23 N 2.64 3.48 -0.34 7.11 1.01 -1.10 -1.02 120.40 132.18 2joq s VAL 23 Ca 0.20 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 2joq s VAL 23 Cb -0.15 -2.67 0.05 0.00 0.00 0.00 0.00 36.38 33.61 2joq s VAL 23 CO 0.17 0.30 0.11 -0.63 0.00 0.00 0.00 175.10 175.05 2joq s ILE 24 N 1.47 3.68 0.11 2.22 1.01 -0.72 -0.20 121.20 128.76 2joq s ILE 24 Ca 0.04 -1.23 0.09 0.00 0.00 0.00 0.00 60.65 59.55 2joq s ILE 24 Cb -0.15 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 2joq s ILE 24 CO -0.02 -0.22 -0.20 -0.04 0.00 0.00 0.00 174.94 174.46 2joq s MET 25 N 1.37 1.74 -0.24 2.79 -1.94 -0.18 -0.41 119.30 122.42 2joq s MET 25 Ca -0.01 -1.19 -0.02 0.00 -1.71 0.00 0.00 55.69 52.76 2joq s MET 25 Cb -0.20 -2.08 0.10 0.00 2.01 0.00 0.00 34.83 34.67 2joq s MET 25 CO 0.02 0.48 2.25 0.25 -0.01 0.00 0.00 175.02 178.01 2joq n THR 26 N 0.92 2.70 -3.46 2.05 -2.24 -0.49 -0.31 114.28 113.44 2joq n THR 26 Ca -0.16 -1.57 -0.12 0.00 -2.27 0.00 0.00 64.05 59.94 2joq n THR 26 Cb 0.53 -1.47 -0.03 0.00 -2.10 0.00 0.00 70.33 67.26 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 -1.49 0.00 -1.96 4.28 -1.32 -1.26 -4.94 115.64 108.94 2joq s THR 27 Ca 0.31 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.97 2joq s THR 27 Cb 0.21 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.27 2joq s THR 27 CO -0.03 0.00 1.00 0.29 -2.21 0.00 0.00 174.62 173.66 2joq n LYS 28 N -0.12 1.59 -2.61 7.08 5.02 -1.26 -4.68 118.16 123.17 2joq n LYS 28 Ca -0.15 -1.22 -0.43 0.00 -2.02 0.00 0.00 58.31 54.49 2joq n LYS 28 Cb 0.63 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 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 0.45 4.96 -4.48 4.39 -0.08 -1.26 -4.91 116.55 115.62 2joq n ASP 29 Ca 0.09 -2.93 -0.43 0.00 -1.51 0.00 0.00 54.79 50.02 2joq n ASP 29 Cb 0.42 -1.73 -0.04 0.00 2.34 0.00 0.00 41.12 42.11 2joq n ASP 29 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2joq s THR 30 N 3.96 4.29 0.15 5.18 -1.32 -1.26 -4.70 115.64 121.94 2joq s THR 30 Ca 0.53 -0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.90 2joq s THR 30 Cb 0.03 -4.66 0.00 0.00 -1.51 0.00 0.00 72.50 66.36 2joq s THR 30 CO 0.07 -1.40 0.00 -1.20 -2.21 0.00 0.00 174.62 169.88 2joq n SER 31 N 7.79 0.31 -0.06 8.08 7.64 -1.26 -4.74 113.62 131.38 2joq n SER 31 Ca -0.02 0.24 0.03 0.00 1.01 0.00 0.00 58.87 60.14 2joq n SER 31 Cb 0.46 0.05 0.38 0.00 -1.01 0.00 0.00 64.21 64.09 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 0.00 1.13 -0.39 0.44 2.02 -2.00 -1.29 112.91 112.82 2joq h THR 32 Ca 0.00 -0.23 0.06 0.00 0.77 0.00 0.00 66.41 67.01 2joq h THR 32 Cb 0.00 0.39 -0.06 0.00 -1.74 0.00 0.00 68.15 66.75 2joq h THR 32 CO 0.00 0.12 0.05 0.25 0.37 0.00 0.00 175.52 176.31 2joq h LEU 33 N 0.67 -0.05 -0.60 2.58 5.85 -1.91 -2.14 115.31 119.72 2joq h LEU 33 Ca 0.18 0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.83 2joq h LEU 33 Cb -0.07 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2joq h LEU 33 CO -0.04 0.01 -0.45 0.11 -0.34 0.00 0.00 178.44 177.73 2joq h LYS 34 N 0.17 0.59 -0.31 1.25 1.57 -1.62 -3.06 116.57 115.16 2joq h LYS 34 Ca 0.19 -0.32 0.06 0.00 -1.87 0.00 0.00 60.65 58.70 2joq h LYS 34 Cb 0.24 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 2joq h LYS 34 CO -0.27 0.92 -0.03 0.93 -0.57 0.00 0.00 179.45 180.43 2joq h GLU 35 N 0.48 0.05 -0.10 3.15 4.39 -0.66 0.29 114.58 122.18 2joq h GLU 35 Ca 0.03 -0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 2joq h GLU 35 Cb 0.97 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 2joq h GLU 35 CO 0.09 0.03 -0.24 1.37 -1.16 0.00 0.00 179.01 179.10 2joq h LEU 36 N 0.05 0.17 -0.67 1.33 8.10 -1.42 -1.69 115.31 121.18 2joq h LEU 36 Ca 0.15 -0.05 -0.14 0.00 0.11 0.00 0.00 57.88 57.95 2joq h LEU 36 Cb 0.22 -0.05 -0.01 0.00 -0.44 0.00 0.00 40.66 40.38 2joq h LEU 36 CO -0.28 0.43 -0.53 -0.07 -4.11 0.00 0.00 178.44 173.87 2joq h LEU 37 N 0.16 0.40 -0.67 0.17 3.38 -1.09 -3.16 115.31 114.51 2joq h LEU 37 Ca 0.03 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 2joq h LEU 37 Cb 0.52 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2joq h LEU 37 CO 0.04 0.86 -0.46 -0.33 0.09 0.00 0.00 178.44 178.63 2joq h GLU 38 N 0.28 0.00 0.00 1.13 4.39 0.39 -2.96 114.58 117.82 2joq h GLU 38 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2joq h GLU 38 Cb 1.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 2joq h GLU 38 CO 0.09 0.46 0.00 1.79 -1.16 0.00 0.00 179.01 180.19 2joq h THR 39 N 0.00 0.00 0.00 1.13 1.35 -1.35 0.36 112.91 114.40 2joq h THR 39 Ca -0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 2joq h THR 39 Cb 1.07 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 2joq h THR 39 CO 0.06 0.00 -0.88 -1.22 -0.25 0.00 0.00 175.52 173.23 2joq n TYR 40 N -2.44 0.31 -2.82 4.73 4.01 -1.12 -4.97 117.16 114.86 2joq n TYR 40 Ca -0.01 0.09 -0.21 0.00 -0.16 0.00 0.00 57.90 57.61 2joq n TYR 40 Cb 0.08 -0.47 0.01 0.00 -0.31 0.00 0.00 39.34 38.66 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 -1.95 -3.57 -4.31 -0.72 1.13 0.12 -4.99 117.38 103.08 2joq n GLN 41 Ca 0.03 0.87 -0.25 0.00 -1.94 0.00 0.00 57.00 55.71 2joq n GLN 41 Cb 0.43 -5.64 -0.12 0.00 0.11 0.00 0.00 30.24 25.01 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 -5.49 1.20 0.51 -1.09 1.70 -1.26 -5.13 118.95 109.39 2joq s ARG 42 Ca 0.20 -1.23 -0.21 0.00 -0.47 0.00 0.00 55.73 54.02 2joq s ARG 42 Cb -0.09 -1.49 -0.06 0.00 -0.57 0.00 0.00 34.95 32.74 2joq s ARG 42 CO 0.24 0.34 1.19 -1.25 -1.08 0.00 0.00 175.30 174.75 2joq s PRO 43 N -2.03 3.46 -0.02 3.89 0.04 -1.26 -4.86 135.00 134.21 2joq s PRO 43 Ca 0.09 1.80 -0.06 0.00 0.04 0.00 0.00 61.00 62.87 2joq s PRO 43 Cb -0.10 -2.21 0.01 0.00 0.04 0.00 0.00 34.50 32.24 2joq s PRO 43 CO 0.05 -0.81 0.14 -0.59 0.04 0.00 0.00 177.00 175.83 2joq s PHE 44 N -1.57 -0.03 -0.47 0.56 -0.12 -1.26 -3.89 117.98 111.20 2joq s PHE 44 Ca 0.69 0.05 -0.14 0.00 -0.05 0.00 0.00 56.93 57.48 2joq s PHE 44 Cb -0.29 -0.01 0.08 0.00 -0.63 0.00 0.00 43.02 42.17 2joq s PHE 44 CO 0.34 -0.21 0.39 0.21 -0.05 0.00 0.00 175.22 175.90 2joq s LYS 45 N -0.86 2.90 -0.25 1.99 2.36 0.54 -4.91 119.74 121.50 2joq s LYS 45 Ca -0.09 -1.44 -0.12 0.00 -2.55 0.00 0.00 55.97 51.77 2joq s LYS 45 Cb -0.05 -4.09 -0.05 0.00 -1.05 0.00 0.00 37.83 32.59 2joq s LYS 45 CO 0.01 -1.07 0.22 -1.17 1.55 0.00 0.00 175.35 174.89 2joq s LEU 46 N 1.59 4.08 0.05 5.43 2.96 -1.26 -2.63 118.68 128.90 2joq s LEU 46 Ca 0.04 0.14 -0.07 0.00 -0.22 0.00 0.00 54.13 54.01 2joq s LEU 46 Cb -0.25 -2.19 -0.01 0.00 0.50 0.00 0.00 46.19 44.24 2joq s LEU 46 CO 0.05 -0.02 0.14 -1.61 -1.32 0.00 0.00 176.35 173.59 2joq s GLU 47 N 1.43 0.67 -0.32 1.98 0.41 -1.03 -4.97 118.70 116.86 2joq s GLU 47 Ca 0.09 -0.79 -0.17 0.00 -0.41 0.00 0.00 54.97 53.70 2joq s GLU 47 Cb -0.15 0.27 -0.01 0.00 -1.78 0.00 0.00 34.13 32.46 2joq s GLU 47 CO 0.08 -0.18 0.46 0.12 -0.49 0.00 0.00 175.26 175.24 2joq s PHE 48 N -2.92 3.21 0.00 1.61 5.36 -1.26 0.56 117.98 124.53 2joq s PHE 48 Ca -0.02 0.24 0.00 0.00 -0.96 0.00 0.00 56.93 56.18 2joq s PHE 48 Cb 0.01 -2.79 0.00 0.00 -0.34 0.00 0.00 43.02 39.90 2joq s PHE 48 CO -0.06 -0.43 0.22 1.63 -1.46 0.00 0.00 175.22 175.12 2joq n LYS 49 N 5.57 0.00 -3.87 10.12 4.76 0.76 -4.94 118.16 130.55 2joq n LYS 49 Ca -0.06 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.28 2joq n LYS 49 Cb 0.49 -0.68 0.00 0.00 -1.84 0.00 0.00 35.03 33.01 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 -1.53 0.09 0.03 4.39 0.01 -1.21 -5.01 114.94 111.71 2joq s ASN 50 Ca 0.00 -1.09 0.04 0.00 -0.71 0.00 0.00 52.86 51.10 2joq s ASN 50 Cb 0.00 0.78 -0.02 0.00 0.41 0.00 0.00 41.25 42.43 2joq s ASN 50 CO 0.00 -1.54 -0.11 0.28 -1.51 0.00 0.00 177.10 174.23 2joq s THR 51 N -2.83 0.84 1.26 1.60 -1.32 -1.26 -0.70 115.64 113.23 2joq s THR 51 Ca 0.17 -0.90 -0.19 0.00 -1.21 0.00 0.00 61.69 59.57 2joq s THR 51 Cb -0.04 -0.79 0.31 0.00 -1.51 0.00 0.00 72.50 70.46 2joq s THR 51 CO 0.12 -0.09 1.02 -0.44 -2.21 0.00 0.00 174.62 173.02 2joq s SER 52 N -1.11 0.32 0.11 8.08 0.01 -0.49 -4.83 113.70 115.80 2joq s SER 52 Ca -0.02 0.94 -0.22 0.00 1.31 0.00 0.00 55.95 57.97 2joq s SER 52 Cb -0.07 -1.39 -0.08 0.00 0.21 0.00 0.00 66.02 64.69 2joq s SER 52 CO 0.01 -4.53 1.72 0.11 0.41 0.00 0.00 173.24 170.96 2joq h LYS 53 N -2.85 -0.03 -0.18 12.44 1.79 -2.02 -0.40 116.57 125.32 2joq h LYS 53 Ca -0.49 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 2joq h LYS 53 Cb 1.32 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.98 2joq h LYS 53 CO 0.38 -0.02 0.00 0.09 -1.08 0.00 0.00 179.45 178.82 2joq n ASN 54 N -5.16 1.13 -1.60 0.86 4.13 -1.26 -4.88 115.26 108.48 2joq n ASN 54 Ca -0.05 -1.87 -0.21 0.00 1.68 0.00 0.00 54.58 54.14 2joq n ASN 54 Cb 0.09 -0.12 -0.09 0.00 -1.54 0.00 0.00 39.78 38.13 2joq n ASN 54 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2joq n ALA 55 N 0.06 -0.32 0.09 5.41 0.00 -0.16 -4.83 120.51 120.77 2joq n ALA 55 Ca 0.10 0.34 -0.06 0.00 0.00 0.00 0.00 53.44 53.82 2joq n ALA 55 Cb 0.20 -2.05 0.05 0.00 0.00 0.00 0.00 19.45 17.65 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 0.14 -5.17 0.00 1.63 -1.90 -3.43 116.57 107.84 2joq h LYS 56 Ca -0.42 -0.13 -0.66 0.00 -0.85 0.00 0.00 60.65 58.59 2joq h LYS 56 Cb 1.36 0.03 -0.27 0.00 -0.60 0.00 0.00 32.23 32.75 2joq h LYS 56 CO 0.62 0.84 -0.74 -0.06 -3.45 0.00 0.00 179.45 176.66 2joq s PHE 57 N -3.37 2.89 -0.20 1.91 0.08 -1.26 -4.20 117.98 113.82 2joq s PHE 57 Ca -0.02 -0.78 -0.03 0.00 0.12 0.00 0.00 56.93 56.22 2joq s PHE 57 Cb 0.11 -1.97 -0.00 0.00 -0.57 0.00 0.00 43.02 40.59 2joq s PHE 57 CO 0.81 -0.36 -0.08 0.71 -0.10 0.00 0.00 175.22 176.20 2joq s TYR 58 N 0.86 2.92 -0.24 0.36 2.02 0.58 -1.39 117.35 122.44 2joq s TYR 58 Ca -0.02 -1.01 -0.18 0.00 -0.37 0.00 0.00 57.07 55.49 2joq s TYR 58 Cb -0.15 -2.05 -0.03 0.00 -0.40 0.00 0.00 41.96 39.33 2joq s TYR 58 CO 0.01 -0.55 0.51 -1.12 -1.57 0.00 0.00 175.55 172.83 2joq s SER 59 N 1.32 6.46 0.30 2.29 0.01 0.12 -1.01 113.70 123.19 2joq s SER 59 Ca 0.04 0.56 0.08 0.00 1.31 0.00 0.00 55.95 57.94 2joq s SER 59 Cb -0.14 -2.28 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 2joq s SER 59 CO -0.04 -0.25 0.16 -0.36 0.41 0.00 0.00 173.24 173.16 2joq s PHE 60 N 2.11 2.87 -0.19 2.43 0.08 0.72 -0.17 117.98 125.83 2joq s PHE 60 Ca 0.22 -0.25 -0.02 0.00 0.12 0.00 0.00 56.93 57.01 2joq s PHE 60 Cb -0.16 -1.50 -0.00 0.00 -0.57 0.00 0.00 43.02 40.79 2joq s PHE 60 CO 0.09 0.42 -0.11 1.21 -0.10 0.00 0.00 175.22 176.73 2joq s ASN 61 N -3.84 3.89 -0.19 1.36 2.47 0.19 -2.71 114.94 116.11 2joq s ASN 61 Ca 0.36 -0.45 0.01 0.00 0.42 0.00 0.00 52.86 53.20 2joq s ASN 61 Cb -0.06 -1.63 0.03 0.00 -1.45 0.00 0.00 41.25 38.14 2joq s ASN 61 CO 0.24 0.03 -0.18 -0.69 -3.72 0.00 0.00 177.10 172.77 2joq s VAL 62 N 1.15 2.07 -0.23 -5.21 1.01 -0.98 -2.46 120.40 115.75 2joq s VAL 62 Ca 0.01 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 60.93 2joq s VAL 62 Cb -0.14 -1.93 0.07 0.00 0.00 0.00 0.00 36.38 34.38 2joq s VAL 62 CO -0.04 0.44 0.01 -0.44 0.00 0.00 0.00 175.10 175.07 2joq s SER 63 N 1.26 3.56 0.04 3.32 0.01 -1.08 0.10 113.70 120.91 2joq s SER 63 Ca 0.03 -1.15 0.02 0.00 1.31 0.00 0.00 55.95 56.15 2joq s SER 63 Cb -0.14 -0.93 -0.02 0.00 0.21 0.00 0.00 66.02 65.13 2joq s SER 63 CO -0.12 -0.29 -0.07 0.00 0.41 0.00 0.00 173.24 173.17 2joq s MET 64 N 1.58 0.51 0.09 12.44 0.23 -0.49 -0.34 119.30 133.32 2joq s MET 64 Ca -0.01 -0.77 -0.31 0.00 -1.03 0.00 0.00 55.69 53.57 2joq s MET 64 Cb -0.18 -0.21 -0.09 0.00 -1.53 0.00 0.00 34.83 32.82 2joq s MET 64 CO -0.10 0.03 1.63 -1.21 -2.03 0.00 0.00 175.02 173.34 2joq s GLU 65 N -1.71 4.20 -0.12 3.16 2.02 -1.25 -0.46 118.70 124.54 2joq s GLU 65 Ca -0.10 2.34 0.00 0.00 0.02 0.00 0.00 54.97 57.24 2joq s GLU 65 Cb -0.09 -3.49 -0.02 0.00 0.10 0.00 0.00 34.13 30.64 2joq s GLU 65 CO -0.00 -0.70 -0.13 0.14 0.02 0.00 0.00 175.26 174.58 2joq s VAL 66 N 2.26 3.05 0.21 2.63 -7.23 -0.26 -4.89 120.40 116.17 2joq s VAL 66 Ca 0.73 -0.67 0.09 0.00 -1.81 0.00 0.00 61.98 60.32 2joq s VAL 66 Cb -0.41 -2.27 -0.10 0.00 0.56 0.00 0.00 36.38 34.16 2joq s VAL 66 CO 0.32 0.53 1.48 0.28 -0.31 0.00 0.00 175.10 177.40 2joq h SER 67 N 6.55 0.02 -2.14 4.85 0.02 -1.94 -2.97 113.55 117.94 2joq h SER 67 Ca -0.28 -0.01 0.18 0.00 -0.84 0.00 0.00 61.79 60.84 2joq h SER 67 Cb 1.21 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.71 2joq h SER 67 CO 0.55 0.78 0.58 -0.46 -1.14 0.00 0.00 176.83 177.14 2joq n ASN 68 N -3.63 -1.35 0.21 3.07 0.23 -1.26 -4.41 115.26 108.10 2joq n ASN 68 Ca -0.01 -1.62 0.06 0.00 -0.53 0.00 0.00 54.58 52.49 2joq n ASN 68 Cb 0.74 2.18 0.55 0.00 -2.08 0.00 0.00 39.78 41.17 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 0.08 -0.93 -3.83 4.81 -1.99 -2.24 114.58 110.47 2joq h GLU 69 Ca -0.22 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.07 2joq h GLU 69 Cb 1.02 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.32 2joq h GLU 69 CO 0.30 0.14 0.61 0.77 -0.73 0.00 0.00 179.01 180.09 2joq h SER 70 N 0.08 0.94 0.73 1.04 0.02 -1.99 0.29 113.55 114.65 2joq h SER 70 Ca 0.02 0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 60.79 2joq h SER 70 Cb 0.13 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 2joq h SER 70 CO 0.01 0.59 -0.85 -0.33 -1.14 0.00 0.00 176.83 175.11 2joq h GLU 71 N 1.06 0.08 -0.79 3.45 5.08 -1.83 -0.94 114.58 120.69 2joq h GLU 71 Ca 0.41 -0.09 0.06 0.00 -1.00 0.00 0.00 59.36 58.74 2joq h GLU 71 Cb 0.21 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 2joq h GLU 71 CO -0.16 0.88 0.48 -0.09 -1.00 0.00 0.00 179.01 179.12 2joq h ARG 72 N 0.04 0.84 -0.14 2.33 1.12 -0.91 0.15 114.38 117.82 2joq h ARG 72 Ca -0.02 -0.05 -0.07 0.00 -1.11 0.00 0.00 59.98 58.72 2joq h ARG 72 Cb 1.49 -0.19 -0.00 0.00 -0.01 0.00 0.00 29.97 31.26 2joq h ARG 72 CO 0.12 0.56 -0.20 -0.91 -3.11 0.00 0.00 179.97 176.43 2joq h ASN 73 N 0.87 0.41 0.56 -3.80 2.35 -0.85 -2.52 115.58 112.59 2joq h ASN 73 Ca 0.35 -0.52 -0.03 0.00 -0.55 0.00 0.00 56.30 55.55 2joq h ASN 73 Cb 0.19 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 38.45 2joq h ASN 73 CO -0.18 0.85 -0.27 -0.08 -1.65 0.00 0.00 177.43 176.10 2joq h GLU 74 N -0.02 -0.72 -0.89 0.81 4.81 -0.77 -1.72 114.58 116.08 2joq h GLU 74 Ca 0.01 0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2joq h GLU 74 Cb 0.76 0.16 -0.06 0.00 0.63 0.00 0.00 28.75 30.25 2joq h GLU 74 CO 0.05 -0.46 0.57 0.82 -0.73 0.00 0.00 179.01 179.25 2joq h ILE 75 N -0.81 1.11 -0.66 2.32 2.04 -0.84 0.89 117.51 121.56 2joq h ILE 75 Ca -0.08 -0.37 0.10 0.00 1.00 0.00 0.00 64.86 65.52 2joq h ILE 75 Cb 0.60 -0.06 -0.08 0.00 -0.74 0.00 0.00 36.82 36.55 2joq h ILE 75 CO 0.13 0.20 0.27 0.15 0.00 0.00 0.00 178.15 178.89 2joq h PHE 76 N 1.07 0.47 -0.39 1.37 3.57 -1.29 -0.24 116.94 121.49 2joq h PHE 76 Ca 0.37 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.75 2joq h PHE 76 Cb 0.07 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 2joq h PHE 76 CO -0.02 0.12 -0.34 1.96 -2.23 0.00 0.00 178.31 177.80 2joq h GLN 77 N 0.46 0.89 -0.69 1.11 4.20 -0.19 -2.93 115.11 117.95 2joq h GLN 77 Ca 0.33 -0.44 0.02 0.00 0.06 0.00 0.00 58.65 58.62 2joq h GLN 77 Cb 0.42 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 2joq h GLN 77 CO -0.31 1.09 0.45 0.87 -0.67 0.00 0.00 178.83 180.25 2joq h LYS 78 N 0.74 0.88 0.00 1.46 1.79 -0.04 -1.58 116.57 119.82 2joq h LYS 78 Ca 0.07 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.47 2joq h LYS 78 Cb 0.91 -0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 31.36 2joq h LYS 78 CO 0.08 0.58 -0.10 0.82 -1.08 0.00 0.00 179.45 179.76 2joq h ILE 79 N 0.90 1.04 0.00 1.86 2.04 -0.96 -0.93 117.51 121.46 2joq h ILE 79 Ca 0.27 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2joq h ILE 79 Cb -0.05 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 2joq h ILE 79 CO -0.08 0.10 0.00 -0.24 0.00 0.00 0.00 178.15 177.93 2joq n SER 80 N -4.38 0.32 -0.02 1.72 2.88 -0.62 -3.20 113.62 110.33 2joq n SER 80 Ca -0.03 0.53 0.15 0.00 -1.33 0.00 0.00 58.87 58.19 2joq n SER 80 Cb 0.17 -0.62 0.73 0.00 -0.75 0.00 0.00 64.21 63.74 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 -1.81 0.45 -0.00 -1.46 6.02 -0.35 -3.31 117.38 116.92 2joq n GLN 81 Ca 0.06 -0.03 -0.12 0.00 -0.01 0.00 0.00 57.00 56.89 2joq n GLN 81 Cb 0.36 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 30.12 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 0.08 0.73 0.00 1.08 3.38 -1.67 -3.47 115.31 115.45 2joq h LEU 82 Ca 0.00 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2joq h LEU 82 Cb 0.30 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2joq h LEU 82 CO 0.00 1.19 0.00 -0.67 0.09 0.00 0.00 178.44 179.05 2joq n ASP 83 N -3.93 0.00 0.33 -0.43 2.03 -1.21 -4.63 116.55 108.71 2joq n ASP 83 Ca -0.05 0.00 0.21 0.00 0.52 0.00 0.00 54.79 55.47 2joq n ASP 83 Cb 0.67 0.00 1.13 0.00 -0.72 0.00 0.00 41.12 42.20 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 -6.16 -0.67 1.57 -1.91 -3.41 116.57 105.99 2joq h LYS 84 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 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 0.00 0.22 0.54 -0.57 0.00 0.00 179.45 179.64 2joq s VAL 85 N -4.29 4.97 -0.44 0.50 0.11 -1.26 -1.39 120.40 118.60 2joq s VAL 85 Ca -0.05 1.68 0.21 0.00 -2.93 0.00 0.00 61.98 60.90 2joq s VAL 85 Cb 0.14 -4.15 -0.29 0.00 -1.53 0.00 0.00 36.38 30.54 2joq s VAL 85 CO 0.45 0.20 0.65 1.33 -3.33 0.00 0.00 175.10 174.40 2joq n VAL 86 N 3.91 0.00 -3.69 2.04 0.24 0.45 -4.93 118.33 116.35 2joq n VAL 86 Ca 0.02 -0.29 -0.10 0.00 -2.04 0.00 0.00 64.34 61.93 2joq n VAL 86 Cb 0.51 0.43 -0.10 0.00 -1.47 0.00 0.00 33.84 33.20 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 -3.28 0.39 -0.22 7.34 2.00 -1.11 -5.04 119.66 119.73 2joq s GLN 87 Ca -0.01 0.85 0.01 0.00 -2.00 0.00 0.00 55.36 54.21 2joq s GLN 87 Cb 0.15 0.05 0.03 0.00 0.80 0.00 0.00 33.01 34.04 2joq s GLN 87 CO 0.89 -0.18 -0.15 0.95 -0.50 0.00 0.00 175.29 176.30 2joq s THR 88 N 1.65 2.23 -0.29 -0.34 -4.23 -1.26 -1.76 115.64 111.63 2joq s THR 88 Ca -0.08 -1.19 -0.05 0.00 -1.18 0.00 0.00 61.69 59.19 2joq s THR 88 Cb -0.09 -2.10 0.02 0.00 1.34 0.00 0.00 72.50 71.67 2joq s THR 88 CO -0.13 0.29 0.04 -0.76 -0.54 0.00 0.00 174.62 173.52 2joq s LEU 89 N 1.23 3.73 0.00 4.79 1.02 -0.18 -4.94 118.68 124.33 2joq s LEU 89 Ca -0.01 -0.86 0.22 0.00 0.02 0.00 0.00 54.13 53.51 2joq s LEU 89 Cb -0.16 -1.81 0.52 0.00 0.02 0.00 0.00 46.19 44.76 2joq s LEU 89 CO -0.09 -0.20 1.44 0.61 0.02 0.00 0.00 176.35 178.13 2joq n GLY 90 N 4.78 1.22 0.00 -3.19 0.00 -1.26 -1.09 105.19 105.65 2joq n GLY 90 Ca -0.15 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2joq n GLY 90 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06