#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wqj s ILE 4 N 0.00 5.02 0.26 0.00 -1.09 -1.26 -5.07 121.20 119.07 1wqj s ILE 4 Ca 0.00 0.48 0.09 0.00 -2.23 0.00 0.00 60.65 58.99 1wqj s ILE 4 Cb 0.00 -3.94 -0.05 0.00 -1.58 0.00 0.00 42.46 36.89 1wqj s ILE 4 CO 0.00 -0.15 -0.12 -1.00 -1.23 0.00 0.00 174.94 172.44 1wqj s HIS 5 N 2.40 2.01 0.58 3.97 3.76 -1.26 -5.13 115.29 121.62 1wqj s HIS 5 Ca 0.20 -0.55 -0.20 0.00 -0.15 0.00 0.00 55.06 54.36 1wqj s HIS 5 Cb -0.15 -1.02 -0.04 0.00 1.11 0.00 0.00 32.58 32.48 1wqj s HIS 5 CO 0.12 0.45 1.30 0.00 -0.85 0.00 0.00 174.74 175.76 1wqj n PRO 7 N -1.35 1.40 -1.73 0.00 -0.02 -1.26 -4.93 135.00 127.11 1wqj n PRO 7 Ca 0.12 0.50 -0.38 0.00 -2.02 0.00 0.00 63.50 61.72 1wqj n PRO 7 Cb 0.47 -2.06 0.05 0.00 -0.02 0.00 0.00 33.50 31.94 1wqj n PRO 7 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1wqj n PRO 8 N 0.19 1.59 -3.27 0.52 -0.02 -1.26 -4.98 135.00 127.78 1wqj n PRO 8 Ca 0.09 0.59 -0.40 0.00 -2.02 0.00 0.00 63.50 61.76 1wqj n PRO 8 Cb 0.39 -2.54 -0.08 0.00 -0.02 0.00 0.00 33.50 31.25 1wqj n PRO 8 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wqj s SER 10 N 1.44 4.88 0.41 0.00 1.04 -1.26 -4.84 113.70 115.37 1wqj s SER 10 Ca 0.21 2.13 0.10 0.00 0.48 0.00 0.00 55.95 58.87 1wqj s SER 10 Cb -0.16 -2.57 0.87 0.00 0.10 0.00 0.00 66.02 64.27 1wqj s SER 10 CO 0.09 -1.79 1.98 -0.08 0.98 0.00 0.00 173.24 174.42 1wqj h GLU 11 N 0.05 0.26 -0.26 4.02 4.81 -1.98 -0.61 114.58 120.88 1wqj h GLU 11 Ca -0.47 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 58.65 1wqj h GLU 11 Cb 1.26 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 1wqj h GLU 11 CO 0.53 0.32 -0.08 0.93 -0.73 0.00 0.00 179.01 179.98 1wqj h GLU 12 N 0.26 0.51 -0.24 1.92 4.39 -1.98 -0.39 114.58 119.05 1wqj h GLU 12 Ca 0.06 -0.20 0.02 0.00 0.34 0.00 0.00 59.36 59.58 1wqj h GLU 12 Cb 0.24 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1wqj h GLU 12 CO 0.01 0.74 0.10 0.87 -1.16 0.00 0.00 179.01 179.57 1wqj h LYS 13 N 0.25 0.21 -0.79 2.33 1.57 -1.81 -2.52 116.57 115.82 1wqj h LYS 13 Ca 0.06 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1wqj h LYS 13 Cb 0.56 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 1wqj h LYS 13 CO 0.03 0.14 0.47 -0.07 -0.57 0.00 0.00 179.45 179.46 1wqj h LEU 14 N 0.22 0.94 -0.41 2.94 3.38 -1.03 -2.19 115.31 119.16 1wqj h LEU 14 Ca 0.10 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1wqj h LEU 14 Cb 0.05 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1wqj h LEU 14 CO -0.09 0.72 0.00 0.00 0.09 0.00 0.00 178.44 179.16 1wqj h ALA 15 N 1.44 1.00 -0.01 1.53 0.00 -0.79 -2.37 119.26 120.06 1wqj h ALA 15 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1wqj h ALA 15 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1wqj h ALA 15 CO -0.05 0.00 -0.23 0.54 0.00 0.00 0.00 179.25 179.51 1wqj n ARG 16 N -2.46 0.78 -1.95 0.00 1.74 -0.84 -4.95 116.66 109.00 1wqj n ARG 16 Ca 0.04 -0.42 -0.41 0.00 -0.77 0.00 0.00 57.85 56.28 1wqj n ARG 16 Cb 0.36 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.30 1wqj n ARG 16 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wqj s ARG 18 N -1.91 3.76 0.26 0.00 0.52 -1.26 -5.01 118.95 115.30 1wqj s ARG 18 Ca 0.51 0.44 -0.30 0.00 -0.52 0.00 0.00 55.73 55.86 1wqj s ARG 18 Cb -0.43 -3.83 -0.11 0.00 0.52 0.00 0.00 34.95 31.10 1wqj s ARG 18 CO 0.58 -0.97 1.51 -2.14 0.02 0.00 0.00 175.30 174.30 1wqj s PRO 19 N 3.42 4.21 0.42 3.54 0.02 -1.26 -4.78 135.00 140.57 1wqj s PRO 19 Ca 0.36 2.41 -0.23 0.00 0.02 0.00 0.00 61.00 63.57 1wqj s PRO 19 Cb -0.12 -3.08 -0.09 0.00 0.02 0.00 0.00 34.50 31.23 1wqj s PRO 19 CO 0.19 -0.52 1.05 -1.25 -0.33 0.00 0.00 177.00 176.14 1wqj s PRO 20 N -0.24 4.06 -0.15 5.54 0.04 -1.26 -5.04 135.00 137.95 1wqj s PRO 20 Ca 0.62 1.48 -0.07 0.00 0.04 0.00 0.00 61.00 63.07 1wqj s PRO 20 Cb -0.44 -2.42 -0.04 0.00 0.04 0.00 0.00 34.50 31.64 1wqj s PRO 20 CO 0.44 -0.23 0.09 0.14 0.04 0.00 0.00 177.00 177.47 1wqj s VAL 21 N -1.75 5.02 -0.50 -0.36 -7.23 -1.26 -4.53 120.40 109.80 1wqj s VAL 21 Ca 0.60 0.04 0.00 0.00 -1.81 0.00 0.00 61.98 60.81 1wqj s VAL 21 Cb -0.21 -3.22 0.00 0.00 0.56 0.00 0.00 36.38 33.52 1wqj s VAL 21 CO 0.26 0.53 0.00 0.61 -0.31 0.00 0.00 175.10 176.18 1wqj n GLY 22 N 2.84 0.57 3.72 2.32 0.00 -1.26 -4.99 105.19 108.39 1wqj n GLY 22 Ca -0.18 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 1wqj n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wqj h GLU 24 N 6.26 0.21 -2.63 0.00 5.08 -1.94 -3.45 114.58 118.11 1wqj h GLU 24 Ca -0.43 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 57.74 1wqj h GLU 24 Cb 1.21 -0.01 -0.23 0.00 0.50 0.00 0.00 28.75 30.22 1wqj h GLU 24 CO 0.80 0.53 -0.17 -2.00 -1.00 0.00 0.00 179.01 177.16 1wqj s GLU 25 N -4.27 0.56 0.14 2.33 2.12 -1.26 -5.06 118.70 113.24 1wqj s GLU 25 Ca -0.04 0.58 -0.08 0.00 0.36 0.00 0.00 54.97 55.79 1wqj s GLU 25 Cb 0.14 0.27 -0.06 0.00 0.26 0.00 0.00 34.13 34.74 1wqj s GLU 25 CO 0.76 -0.08 0.42 -0.51 -0.54 0.00 0.00 175.26 175.31 1wqj s LEU 26 N 0.12 4.28 0.06 2.70 1.43 -1.26 -0.43 118.68 125.58 1wqj s LEU 26 Ca -0.01 0.74 -0.08 0.00 -1.03 0.00 0.00 54.13 53.75 1wqj s LEU 26 Cb -0.03 -3.26 -0.00 0.00 0.03 0.00 0.00 46.19 42.93 1wqj s LEU 26 CO 0.01 0.07 0.17 0.68 0.23 0.00 0.00 176.35 177.52 1wqj s VAL 27 N -1.58 0.13 0.50 -1.59 -7.23 -0.62 -4.76 120.40 105.25 1wqj s VAL 27 Ca 0.39 -1.08 -0.21 0.00 -1.81 0.00 0.00 61.98 59.27 1wqj s VAL 27 Cb -0.13 -1.13 -0.07 0.00 0.56 0.00 0.00 36.38 35.62 1wqj s VAL 27 CO 0.21 -0.59 1.11 -0.60 -0.31 0.00 0.00 175.10 174.92 1wqj s ARG 28 N -3.20 3.63 0.79 4.82 3.52 -1.26 -0.79 118.95 126.45 1wqj s ARG 28 Ca -0.00 1.59 -0.16 0.00 -0.13 0.00 0.00 55.73 57.03 1wqj s ARG 28 Cb 0.02 -2.17 -0.08 0.00 -1.56 0.00 0.00 34.95 31.16 1wqj s ARG 28 CO -0.07 -0.62 0.05 0.39 -0.81 0.00 0.00 175.30 174.23 1wqj n GLU 29 N -0.91 0.07 -1.26 5.12 1.02 -0.24 -4.52 120.64 119.92 1wqj n GLU 29 Ca 0.09 0.05 -0.30 0.00 -0.02 0.00 0.00 57.16 56.98 1wqj n GLU 29 Cb 0.50 -1.47 0.13 0.00 -0.02 0.00 0.00 31.44 30.58 1wqj n GLU 29 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1wqj s PRO 30 N -2.38 1.49 7.55 3.49 0.04 -1.26 -4.41 135.00 139.52 1wqj s PRO 30 Ca 0.56 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1wqj s PRO 30 Cb -0.31 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1wqj s PRO 30 CO 0.67 -2.09 0.00 0.41 0.04 0.00 0.00 177.00 176.04 1wqj n GLY 31 N -1.28 2.88 1.21 0.56 0.00 -1.26 -2.34 105.19 104.96 1wqj n GLY 31 Ca 0.07 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.94 1wqj n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wqj n GLY 33 N 0.03 0.04 0.02 0.00 0.00 -0.99 -4.92 105.19 99.36 1wqj n GLY 33 Ca 0.23 0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.42 1wqj n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wqj s ALA 36 N -2.51 3.98 0.36 0.00 0.00 -1.26 -1.08 121.76 121.26 1wqj s ALA 36 Ca 0.56 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.61 1wqj s ALA 36 Cb -0.07 -1.80 -0.04 0.00 0.00 0.00 0.00 23.12 21.21 1wqj s ALA 36 CO 0.34 0.68 0.11 0.95 0.00 0.00 0.00 175.76 177.85 1wqj s THR 37 N -1.63 0.72 0.34 0.00 -4.23 0.03 -4.49 115.64 106.39 1wqj s THR 37 Ca 0.35 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.62 1wqj s THR 37 Cb -0.12 -2.50 -0.10 0.00 1.34 0.00 0.00 72.50 71.12 1wqj s THR 37 CO 0.28 0.00 0.91 0.00 -0.54 0.00 0.00 174.62 175.27 1wqj s ALA 39 N -1.79 3.00 0.28 0.00 0.00 0.42 -4.74 121.76 118.94 1wqj s ALA 39 Ca 0.53 0.64 -0.29 0.00 0.00 0.00 0.00 51.96 52.84 1wqj s ALA 39 Cb -0.15 -3.25 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 1wqj s ALA 39 CO 0.20 -0.22 1.05 -0.51 0.00 0.00 0.00 175.76 176.28 1wqj s LEU 40 N -3.02 4.54 0.65 0.00 1.43 -0.53 -4.80 118.68 116.95 1wqj s LEU 40 Ca 0.62 2.17 0.05 0.00 -1.03 0.00 0.00 54.13 55.94 1wqj s LEU 40 Cb -0.19 -3.67 0.11 0.00 0.03 0.00 0.00 46.19 42.47 1wqj s LEU 40 CO 0.23 -0.09 0.89 -0.83 0.23 0.00 0.00 176.35 176.78 1wqj s GLY 41 N -1.01 1.74 0.08 -3.19 0.00 -1.26 -1.17 107.32 102.51 1wqj s GLY 41 Ca 0.45 -1.96 -0.36 0.00 0.00 0.00 0.00 44.72 42.84 1wqj s GLY 41 CO 0.38 -1.44 1.40 -0.10 0.00 0.00 0.00 173.10 173.33 1wqj n LEU 42 N -2.53 1.91 0.00 0.66 7.94 -1.26 -1.61 117.00 122.11 1wqj n LEU 42 Ca 0.15 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.17 1wqj n LEU 42 Cb 0.61 -1.23 0.00 0.00 0.53 0.00 0.00 43.42 43.33 1wqj n LEU 42 CO 0.41 -0.90 0.00 0.61 -1.11 0.00 0.00 177.39 176.40 1wqj n GLY 43 N 2.73 1.04 3.80 -3.96 0.00 -0.20 -4.97 105.19 103.62 1wqj n GLY 43 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1wqj n GLY 43 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wqj s MET 44 N -0.06 4.13 0.59 1.61 1.00 -0.63 -4.72 119.30 121.22 1wqj s MET 44 Ca 0.00 1.34 -0.20 0.00 0.00 0.00 0.00 55.69 56.84 1wqj s MET 44 Cb 0.00 -2.35 -0.03 0.00 0.00 0.00 0.00 34.83 32.45 1wqj s MET 44 CO 0.00 -0.15 1.30 -2.14 0.00 0.00 0.00 175.02 174.03 1wqj s PRO 45 N -2.83 2.89 0.14 2.03 0.02 -1.26 -1.06 135.00 134.92 1wqj s PRO 45 Ca 0.61 2.07 -0.24 0.00 0.02 0.00 0.00 61.00 63.46 1wqj s PRO 45 Cb -0.17 -2.03 0.07 0.00 0.02 0.00 0.00 34.50 32.40 1wqj s PRO 45 CO 0.21 -1.34 0.61 0.00 -0.33 0.00 0.00 177.00 176.15 1wqj n GLY 47 N -0.28 1.29 0.33 0.00 0.00 -1.26 -0.67 105.19 104.59 1wqj n GLY 47 Ca -0.17 -0.69 0.07 0.00 0.00 0.00 0.00 46.02 45.23 1wqj n GLY 47 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wqj h VAL 48 N 0.22 1.02 -0.01 1.61 2.07 -1.50 -3.14 116.25 116.52 1wqj h VAL 48 Ca 0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1wqj h VAL 48 Cb 0.00 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1wqj h VAL 48 CO 0.00 0.09 -0.15 -1.22 0.02 0.00 0.00 177.57 176.31 1wqj n TYR 49 N -4.48 0.00 -2.11 1.57 4.02 -1.26 -4.64 117.16 110.27 1wqj n TYR 49 Ca 0.06 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.67 1wqj n TYR 49 Cb 0.18 0.00 0.13 0.00 -0.02 0.00 0.00 39.34 39.63 1wqj n TYR 49 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1wqj s THR 50 N -1.34 2.08 0.95 -0.72 -4.23 -1.19 -4.91 115.64 106.28 1wqj s THR 50 Ca 0.12 -0.17 -0.11 0.00 -1.18 0.00 0.00 61.69 60.35 1wqj s THR 50 Cb 0.10 -2.91 0.15 0.00 1.34 0.00 0.00 72.50 71.18 1wqj s THR 50 CO 0.24 0.00 1.06 -2.65 -0.54 0.00 0.00 174.62 172.73 1wqj n PRO 51 N -3.35 -0.63 -2.92 3.99 -0.02 -1.26 -4.53 135.00 126.29 1wqj n PRO 51 Ca 0.13 -0.12 -0.33 0.00 -2.02 0.00 0.00 63.50 61.15 1wqj n PRO 51 Cb 0.60 -2.31 -0.07 0.00 -0.02 0.00 0.00 33.50 31.71 1wqj n PRO 51 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1wqj s ARG 52 N -4.52 4.17 0.46 -0.52 0.52 -1.26 -4.67 118.95 113.13 1wqj s ARG 52 Ca 0.66 0.98 -0.23 0.00 -0.52 0.00 0.00 55.73 56.62 1wqj s ARG 52 Cb -0.23 -2.28 -0.07 0.00 0.52 0.00 0.00 34.95 32.89 1wqj s ARG 52 CO 0.60 0.04 1.18 0.00 0.02 0.00 0.00 175.30 177.14 1wqj n GLY 54 N 0.47 -1.40 3.77 0.00 0.00 -0.32 -4.76 105.19 102.95 1wqj n GLY 54 Ca 0.07 -1.66 -0.37 0.00 0.00 0.00 0.00 46.02 44.06 1wqj n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wqj s SER 55 N -2.64 6.27 0.00 1.61 1.04 -1.26 -1.71 113.70 117.01 1wqj s SER 55 Ca 0.25 2.34 0.00 0.00 0.48 0.00 0.00 55.95 59.02 1wqj s SER 55 Cb -0.01 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1wqj s SER 55 CO 0.18 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.16 1wqj n GLY 56 N 0.51 0.51 3.40 7.32 0.00 -1.26 -5.00 105.19 110.67 1wqj n GLY 56 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 1wqj n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wqj s LEU 57 N 0.00 2.43 0.00 0.99 1.43 -0.69 -0.79 118.68 122.05 1wqj s LEU 57 Ca 0.00 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 52.24 1wqj s LEU 57 Cb 0.00 -1.11 -0.00 0.00 0.03 0.00 0.00 46.19 45.11 1wqj s LEU 57 CO 0.00 0.09 -0.01 -0.60 0.23 0.00 0.00 176.35 176.07 1wqj s ARG 58 N -2.66 0.07 -0.41 1.70 3.52 0.17 -4.68 118.95 116.64 1wqj s ARG 58 Ca 0.19 -0.12 -0.29 0.00 -0.13 0.00 0.00 55.73 55.38 1wqj s ARG 58 Cb -0.08 0.01 0.01 0.00 -1.56 0.00 0.00 34.95 33.34 1wqj s ARG 58 CO 0.09 -0.01 1.39 0.00 -0.81 0.00 0.00 175.30 175.96 1wqj s TYR 60 N 5.34 2.78 0.70 0.00 1.51 -0.72 -4.89 117.35 122.07 1wqj s TYR 60 Ca 0.60 -0.12 -0.14 0.00 -1.01 0.00 0.00 57.07 56.40 1wqj s TYR 60 Cb -0.13 -1.50 0.02 0.00 -0.11 0.00 0.00 41.96 40.24 1wqj s TYR 60 CO 0.32 0.39 1.13 -2.14 -1.11 0.00 0.00 175.55 174.14 1wqj s PRO 61 N -1.85 2.53 0.66 -1.71 0.02 -1.26 -1.22 135.00 132.16 1wqj s PRO 61 Ca 0.19 1.44 -0.15 0.00 0.02 0.00 0.00 61.00 62.50 1wqj s PRO 61 Cb -0.11 -1.91 -0.00 0.00 0.02 0.00 0.00 34.50 32.50 1wqj s PRO 61 CO 0.11 -1.47 1.12 -2.14 -0.33 0.00 0.00 177.00 174.28 1wqj s PRO 62 N -4.18 2.78 0.27 5.54 0.02 -1.26 -4.86 135.00 133.31 1wqj s PRO 62 Ca 0.68 1.43 -0.30 0.00 0.02 0.00 0.00 61.00 62.82 1wqj s PRO 62 Cb -0.22 -1.94 -0.13 0.00 0.02 0.00 0.00 34.50 32.23 1wqj s PRO 62 CO 0.45 -1.27 1.43 2.89 -0.33 0.00 0.00 177.00 180.16 1wqj n ARG 63 N -2.38 2.20 -0.40 5.54 1.85 -1.26 -3.37 116.66 118.84 1wqj n ARG 63 Ca 0.11 0.78 0.00 0.00 -1.00 0.00 0.00 57.85 57.74 1wqj n ARG 63 Cb 0.52 -2.45 0.00 0.00 -1.05 0.00 0.00 32.46 29.48 1wqj n ARG 63 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1wqj n GLY 64 N 1.88 2.09 3.71 2.89 0.00 -1.26 -5.01 105.19 109.49 1wqj n GLY 64 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1wqj n GLY 64 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wqj n VAL 65 N -2.00 4.13 0.12 1.61 0.24 -1.22 -4.92 118.33 116.30 1wqj n VAL 65 Ca 0.00 -0.50 -0.02 0.00 -2.04 0.00 0.00 64.34 61.78 1wqj n VAL 65 Cb 0.00 -1.50 0.16 0.00 -1.47 0.00 0.00 33.84 31.03 1wqj n VAL 65 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1wqj h GLU 66 N 0.99 0.06 -2.71 7.34 9.09 -1.94 -3.38 114.58 124.02 1wqj h GLU 66 Ca -0.50 -0.04 -0.60 0.00 0.05 0.00 0.00 59.36 58.26 1wqj h GLU 66 Cb 1.33 0.01 -0.40 0.00 -1.65 0.00 0.00 28.75 28.03 1wqj h GLU 66 CO 0.55 0.65 -0.76 1.63 0.05 0.00 0.00 179.01 181.13 1wqj n LYS 67 N -3.83 1.13 -0.28 1.06 5.02 -1.26 -4.98 118.16 115.02 1wqj n LYS 67 Ca -0.01 -3.91 0.01 0.00 -2.02 0.00 0.00 58.31 52.38 1wqj n LYS 67 Cb 0.61 -1.99 0.14 0.00 -0.02 0.00 0.00 35.03 33.76 1wqj n LYS 67 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1wqj h PRO 68 N 5.40 0.81 -0.44 1.97 0.11 -1.96 -1.33 132.00 136.55 1wqj h PRO 68 Ca 0.20 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.14 1wqj h PRO 68 Cb 0.82 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 1wqj h PRO 68 CO 0.57 0.53 -0.19 -0.07 -0.21 0.00 0.00 178.00 178.64 1wqj h LEU 69 N 0.83 0.93 -0.73 2.35 3.38 -1.97 -2.17 115.31 117.93 1wqj h LEU 69 Ca 0.36 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 57.98 1wqj h LEU 69 Cb 0.23 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1wqj h LEU 69 CO -0.20 1.11 0.44 -0.74 0.09 0.00 0.00 178.44 179.15 1wqj h HIS 70 N 0.74 0.82 -0.75 1.13 2.76 -1.89 0.14 115.15 118.09 1wqj h HIS 70 Ca 0.10 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.24 1wqj h HIS 70 Cb 0.75 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 29.41 1wqj h HIS 70 CO 0.05 0.44 0.27 1.79 -1.30 0.00 0.00 177.93 179.18 1wqj h THR 71 N 0.84 1.26 -0.55 6.26 1.35 -0.97 -2.11 112.91 118.98 1wqj h THR 71 Ca 0.31 -0.86 -0.10 0.00 -0.55 0.00 0.00 66.41 65.22 1wqj h THR 71 Cb 0.10 0.39 -0.02 0.00 -1.73 0.00 0.00 68.15 66.89 1wqj h THR 71 CO -0.14 0.34 -0.03 -0.07 -0.25 0.00 0.00 175.52 175.37 1wqj h LEU 72 N 1.11 0.96 -1.32 3.87 3.38 -0.70 0.49 115.31 123.10 1wqj h LEU 72 Ca 0.25 -0.28 0.10 0.00 0.09 0.00 0.00 57.88 58.04 1wqj h LEU 72 Cb 0.26 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1wqj h LEU 72 CO -0.01 1.03 0.53 0.24 0.09 0.00 0.00 178.44 180.32 1wqj h MET 73 N 0.89 0.73 -0.59 1.13 2.86 -0.33 -1.13 114.93 118.49 1wqj h MET 73 Ca 0.16 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1wqj h MET 73 Cb 0.56 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1wqj h MET 73 CO 0.03 0.48 0.00 0.72 1.06 0.00 0.00 176.91 179.21 1wqj n HIS 74 N -4.51 0.95 -1.71 -0.22 8.25 -0.83 -4.65 115.22 112.50 1wqj n HIS 74 Ca 0.14 -0.42 -0.08 0.00 -0.26 0.00 0.00 57.72 57.11 1wqj n HIS 74 Cb 0.33 -0.10 -0.02 0.00 1.12 0.00 0.00 29.99 31.32 1wqj n HIS 74 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wqj n GLY 75 N 1.16 0.48 1.24 -1.41 0.00 -0.81 -4.92 105.19 100.93 1wqj n GLY 75 Ca 0.19 -0.63 0.05 0.00 0.00 0.00 0.00 46.02 45.63 1wqj n GLY 75 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wqj n GLN 76 N -2.22 3.20 -1.73 1.61 1.13 0.12 -3.48 117.38 116.02 1wqj n GLN 76 Ca -0.08 -2.97 -0.29 0.00 -1.94 0.00 0.00 57.00 51.71 1wqj n GLN 76 Cb 0.42 -1.96 0.16 0.00 0.11 0.00 0.00 30.24 28.96 1wqj n GLN 76 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1wqj s GLY 77 N -1.71 1.66 0.04 1.08 0.00 0.16 -4.42 107.32 104.13 1wqj s GLY 77 Ca 0.46 -0.87 0.02 0.00 0.00 0.00 0.00 44.72 44.33 1wqj s GLY 77 CO 0.09 -0.21 -0.08 -1.34 0.00 0.00 0.00 173.10 171.57 1wqj s VAL 78 N -3.56 0.53 -0.23 1.40 -7.23 -0.36 -1.28 120.40 109.67 1wqj s VAL 78 Ca 0.68 -1.07 -0.29 0.00 -1.81 0.00 0.00 61.98 59.49 1wqj s VAL 78 Cb -0.09 -0.60 -0.01 0.00 0.56 0.00 0.00 36.38 36.24 1wqj s VAL 78 CO 0.52 -0.38 1.31 0.00 -0.31 0.00 0.00 175.10 176.24 1wqj s MET 80 N 3.88 1.47 0.28 0.00 -1.94 -0.26 -1.04 119.30 121.69 1wqj s MET 80 Ca 0.57 -1.72 -0.29 0.00 -1.71 0.00 0.00 55.69 52.54 1wqj s MET 80 Cb -0.20 -1.09 -0.10 0.00 2.01 0.00 0.00 34.83 35.46 1wqj s MET 80 CO 0.19 0.06 1.20 -1.21 -0.01 0.00 0.00 175.02 175.26 1wqj s GLU 81 N -3.72 4.50 0.00 2.03 8.01 -1.26 -0.66 118.70 127.60 1wqj s GLU 81 Ca 0.27 1.98 0.14 0.00 0.01 0.00 0.00 54.97 57.38 1wqj s GLU 81 Cb 0.03 -3.15 0.83 0.00 -4.31 0.00 0.00 34.13 27.53 1wqj s GLU 81 CO 0.10 -0.00 1.25 1.28 0.01 0.00 0.00 175.26 177.90