#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jqj s ARG 10 N 0.00 3.61 0.46 1.61 1.70 -1.26 -5.03 118.95 120.03 3jqj s ARG 10 Ca 0.00 0.41 -0.25 0.00 -0.47 0.00 0.00 55.73 55.42 3jqj s ARG 10 Cb 0.00 -2.30 -0.08 0.00 -0.57 0.00 0.00 34.95 32.01 3jqj s ARG 10 CO 0.00 -0.27 1.39 -2.14 -1.08 0.00 0.00 175.30 173.20 3jqj s PRO 11 N -4.68 3.65 -0.11 3.89 0.02 -1.26 -5.03 135.00 131.48 3jqj s PRO 11 Ca 0.50 2.33 -0.30 0.00 0.02 0.00 0.00 61.00 63.56 3jqj s PRO 11 Cb -0.10 -2.61 0.08 0.00 0.02 0.00 0.00 34.50 31.89 3jqj s PRO 11 CO 0.45 -0.81 0.76 -0.98 -0.33 0.00 0.00 177.00 176.08 3jqj s ARG 12 N -2.49 0.92 -0.57 5.54 1.70 -1.26 -5.09 118.95 117.70 3jqj s ARG 12 Ca 0.62 0.36 -0.22 0.00 -0.47 0.00 0.00 55.73 56.01 3jqj s ARG 12 Cb -0.42 0.44 0.05 0.00 -0.57 0.00 0.00 34.95 34.45 3jqj s ARG 12 CO 0.53 -0.26 0.87 -1.64 -1.08 0.00 0.00 175.30 173.72 3jqj s MET 13 N -0.89 3.22 -0.02 3.89 -1.94 -1.26 -4.93 119.30 117.37 3jqj s MET 13 Ca -0.07 -0.57 -0.40 0.00 -1.71 0.00 0.00 55.69 52.93 3jqj s MET 13 Cb -0.01 -4.11 -0.19 0.00 2.01 0.00 0.00 34.83 32.52 3jqj s MET 13 CO 0.07 -1.52 1.16 0.28 -0.01 0.00 0.00 175.02 175.00 3jqj n VAL 14 N 5.98 0.00 -2.32 -6.03 0.31 -1.26 -4.85 118.33 110.17 3jqj n VAL 14 Ca -0.02 -0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.88 3jqj n VAL 14 Cb 0.46 -0.19 -0.02 0.00 -0.91 0.00 0.00 33.84 33.18 3jqj n VAL 14 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3jqj s ASP 15 N 0.34 6.61 -0.12 4.52 3.68 -1.26 -4.85 116.67 125.59 3jqj s ASP 15 Ca 0.91 1.40 0.16 0.00 2.13 0.00 0.00 52.55 57.16 3jqj s ASP 15 Cb -1.23 -2.54 0.27 0.00 -1.45 0.00 0.00 42.92 37.98 3jqj s ASP 15 CO 0.57 -1.09 1.14 1.33 0.13 0.00 0.00 175.17 177.25 3jqj n VAL 16 N 6.16 1.70 -0.24 1.11 0.24 -1.26 -4.84 118.33 121.21 3jqj n VAL 16 Ca 0.16 -2.11 0.03 0.00 -2.04 0.00 0.00 64.34 60.38 3jqj n VAL 16 Cb 0.46 -0.15 0.15 0.00 -1.47 0.00 0.00 33.84 32.83 3jqj n VAL 16 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 3jqj h THR 17 N 0.86 0.68 -0.00 3.34 2.02 -1.96 -2.33 112.91 115.52 3jqj h THR 17 Ca -0.00 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3jqj h THR 17 Cb 1.05 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 3jqj h THR 17 CO 0.00 0.07 -0.01 -0.62 0.37 0.00 0.00 175.52 175.33 3jqj n GLU 18 N -5.02 0.89 -3.13 6.66 1.02 -1.26 -4.86 120.64 114.94 3jqj n GLU 18 Ca 0.12 -0.10 -0.37 0.00 -0.02 0.00 0.00 57.16 56.79 3jqj n GLU 18 Cb 0.37 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.23 3jqj n GLU 18 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3jqj s LYS 19 N -2.18 4.30 0.61 3.49 1.02 -0.88 -5.06 119.74 121.05 3jqj s LYS 19 Ca 0.41 0.89 -0.15 0.00 0.02 0.00 0.00 55.97 57.14 3jqj s LYS 19 Cb 0.21 -3.06 -0.03 0.00 -0.52 0.00 0.00 37.83 34.44 3jqj s LYS 19 CO 0.40 0.50 1.06 -1.25 -0.92 0.00 0.00 175.35 175.14 3jqj s PRO 20 N -1.57 3.24 -0.27 -1.68 0.04 -1.26 -4.74 135.00 128.76 3jqj s PRO 20 Ca 0.38 1.15 -0.29 0.00 0.04 0.00 0.00 61.00 62.27 3jqj s PRO 20 Cb -0.19 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.34 3jqj s PRO 20 CO 0.22 -0.87 1.06 -1.21 0.04 0.00 0.00 177.00 176.24 3jqj s GLU 21 N -4.29 4.17 0.12 4.56 2.02 -1.26 -4.14 118.70 119.88 3jqj s GLU 21 Ca 0.62 1.23 0.04 0.00 0.02 0.00 0.00 54.97 56.88 3jqj s GLU 21 Cb -0.15 -3.68 -0.04 0.00 0.10 0.00 0.00 34.13 30.35 3jqj s GLU 21 CO 0.41 -0.75 -0.10 0.95 0.02 0.00 0.00 175.26 175.79 3jqj s THR 22 N 3.41 1.02 0.06 3.63 -4.23 -0.88 -4.77 115.64 113.87 3jqj s THR 22 Ca 0.45 -1.88 -0.30 0.00 -1.18 0.00 0.00 61.69 58.78 3jqj s THR 22 Cb -0.14 -1.63 -0.09 0.00 1.34 0.00 0.00 72.50 71.98 3jqj s THR 22 CO 0.10 -0.69 1.78 -0.36 -0.54 0.00 0.00 174.62 174.91 3jqj s PHE 23 N -3.01 2.00 0.09 3.99 2.99 -1.26 -2.15 117.98 120.64 3jqj s PHE 23 Ca 0.12 0.02 0.10 0.00 0.00 0.00 0.00 56.93 57.16 3jqj s PHE 23 Cb 0.01 -4.08 -0.03 0.00 0.00 0.00 0.00 43.02 38.91 3jqj s PHE 23 CO -0.00 -4.54 -0.25 1.03 -0.00 0.00 0.00 175.22 171.46 3jqj s ARG 24 N 3.32 1.48 0.02 0.44 1.81 0.19 -4.34 118.95 121.86 3jqj s ARG 24 Ca 0.79 -1.19 -0.13 0.00 -1.72 0.00 0.00 55.73 53.48 3jqj s ARG 24 Cb -0.41 -1.79 0.02 0.00 -0.45 0.00 0.00 34.95 32.32 3jqj s ARG 24 CO 0.35 0.44 0.28 -0.08 -0.68 0.00 0.00 175.30 175.61 3jqj s THR 25 N -0.96 0.07 -0.22 0.02 -1.32 -0.91 -1.71 115.64 110.62 3jqj s THR 25 Ca 0.11 -0.62 -0.20 0.00 -1.21 0.00 0.00 61.69 59.77 3jqj s THR 25 Cb -0.10 -0.76 0.06 0.00 -1.51 0.00 0.00 72.50 70.19 3jqj s THR 25 CO 0.04 -0.34 0.58 0.00 -2.21 0.00 0.00 174.62 172.69 3jqj s ALA 26 N -1.94 -1.45 -0.03 11.08 0.00 -0.65 -1.68 121.76 127.09 3jqj s ALA 26 Ca -0.09 1.67 0.03 0.00 0.00 0.00 0.00 51.96 53.56 3jqj s ALA 26 Cb -0.03 -0.97 0.01 0.00 0.00 0.00 0.00 23.12 22.12 3jqj s ALA 26 CO 0.00 -0.28 -0.10 0.99 0.00 0.00 0.00 175.76 176.38 3jqj s THR 27 N 0.36 0.87 0.24 0.00 2.01 0.35 -1.10 115.64 118.37 3jqj s THR 27 Ca -0.00 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.61 3jqj s THR 27 Cb -0.04 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 3jqj s THR 27 CO 0.00 0.27 0.13 0.00 -0.69 0.00 0.00 174.62 174.33 3jqj s ALA 28 N 0.30 1.48 0.13 7.40 0.00 -0.35 -0.01 121.76 130.71 3jqj s ALA 28 Ca -0.05 -1.78 -0.09 0.00 0.00 0.00 0.00 51.96 50.03 3jqj s ALA 28 Cb -0.10 1.25 -0.00 0.00 0.00 0.00 0.00 23.12 24.27 3jqj s ALA 28 CO 0.01 -0.54 0.25 -1.83 0.00 0.00 0.00 175.76 173.65 3jqj s GLU 29 N -4.04 1.01 0.13 0.00 -1.05 -0.22 -1.31 118.70 113.21 3jqj s GLU 29 Ca 0.38 -1.05 -0.14 0.00 -0.15 0.00 0.00 54.97 54.01 3jqj s GLU 29 Cb 0.07 0.37 0.02 0.00 -0.44 0.00 0.00 34.13 34.15 3jqj s GLU 29 CO 0.14 -0.35 0.36 0.00 0.95 0.00 0.00 175.26 176.35 3jqj s ALA 30 N -3.91 -0.68 0.04 -0.84 0.00 0.06 -0.81 121.76 115.62 3jqj s ALA 30 Ca 0.11 -0.28 0.03 0.00 0.00 0.00 0.00 51.96 51.82 3jqj s ALA 30 Cb 0.04 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.82 3jqj s ALA 30 CO -0.06 -0.63 -0.09 -0.06 0.00 0.00 0.00 175.76 174.92 3jqj s PHE 31 N -3.84 0.79 -0.17 0.00 0.40 -0.84 -0.77 117.98 113.55 3jqj s PHE 31 Ca 0.06 -0.42 0.01 0.00 -0.60 0.00 0.00 56.93 55.97 3jqj s PHE 31 Cb 0.02 -0.47 0.02 0.00 0.51 0.00 0.00 43.02 43.10 3jqj s PHE 31 CO -0.10 -0.04 -0.20 0.08 0.70 0.00 0.00 175.22 175.67 3jqj s VAL 32 N -1.14 2.02 -0.16 -0.44 1.01 -0.47 -2.07 120.40 119.14 3jqj s VAL 32 Ca -0.06 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.71 3jqj s VAL 32 Cb -0.09 -1.82 -0.00 0.00 0.00 0.00 0.00 36.38 34.47 3jqj s VAL 32 CO 0.01 0.53 1.03 -1.61 0.00 0.00 0.00 175.10 175.06 3jqj s GLU 33 N 1.20 4.35 -0.14 2.72 0.41 0.71 -1.44 118.70 126.50 3jqj s GLU 33 Ca 0.02 1.39 -0.08 0.00 -0.41 0.00 0.00 54.97 55.90 3jqj s GLU 33 Cb -0.14 -3.59 -0.04 0.00 -1.78 0.00 0.00 34.13 28.58 3jqj s GLU 33 CO -0.10 -0.47 0.13 -0.51 -0.49 0.00 0.00 175.26 173.83 3jqj s LEU 34 N 2.57 4.32 0.86 1.80 1.43 -0.21 -3.43 118.68 126.02 3jqj s LEU 34 Ca 0.47 0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 53.85 3jqj s LEU 34 Cb -0.17 -2.07 0.15 0.00 0.03 0.00 0.00 46.19 44.13 3jqj s LEU 34 CO 0.13 0.34 1.20 0.42 0.23 0.00 0.00 176.35 178.66 3jqj s THR 35 N -0.61 2.06 0.07 5.49 -4.23 -1.26 -4.84 115.64 112.32 3jqj s THR 35 Ca 0.13 -0.15 -0.20 0.00 -1.18 0.00 0.00 61.69 60.29 3jqj s THR 35 Cb -0.12 -2.91 -0.10 0.00 1.34 0.00 0.00 72.50 70.71 3jqj s THR 35 CO 0.02 0.00 1.51 -0.08 -0.54 0.00 0.00 174.62 175.53 3jqj h GLU 36 N -1.20 0.35 0.00 3.99 4.57 -1.99 -1.70 114.58 118.59 3jqj h GLU 36 Ca -0.43 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 57.63 3jqj h GLU 36 Cb 1.26 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.82 3jqj h GLU 36 CO 0.45 0.54 -0.07 1.05 -1.18 0.00 0.00 179.01 179.80 3jqj h GLU 37 N 0.11 0.00 0.07 1.92 9.09 -1.94 -2.24 114.58 121.59 3jqj h GLU 37 Ca 0.06 0.00 -0.29 0.00 0.05 0.00 0.00 59.36 59.17 3jqj h GLU 37 Cb 0.38 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.46 3jqj h GLU 37 CO 0.01 0.07 -1.53 0.00 0.05 0.00 0.00 179.01 177.61 3jqj h ALA 38 N 1.93 0.42 -0.35 1.06 0.00 -1.83 -2.99 119.26 117.50 3jqj h ALA 38 Ca -0.00 -1.19 -0.13 0.00 0.00 0.00 0.00 54.91 53.59 3jqj h ALA 38 Cb 0.31 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3jqj h ALA 38 CO 0.01 1.28 -0.33 1.25 0.00 0.00 0.00 179.25 181.46 3jqj h LEU 39 N 0.04 0.80 -0.03 0.00 5.85 -0.90 -1.52 115.31 119.55 3jqj h LEU 39 Ca -0.23 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.13 3jqj h LEU 39 Cb 1.98 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.79 3jqj h LEU 39 CO 0.13 1.06 -0.10 0.77 -0.34 0.00 0.00 178.44 179.96 3jqj h SER 40 N 0.65 0.14 -0.94 1.25 4.64 -1.54 -2.29 113.55 115.44 3jqj h SER 40 Ca 0.07 -0.63 0.13 0.00 -0.47 0.00 0.00 61.79 60.89 3jqj h SER 40 Cb 0.86 -0.04 -0.09 0.00 -0.31 0.00 0.00 62.40 62.82 3jqj h SER 40 CO 0.08 0.75 0.57 0.00 -0.87 0.00 0.00 176.83 177.35 3jqj h ALA 41 N 0.39 1.44 -0.06 5.18 0.00 -1.53 -1.70 119.26 122.98 3jqj h ALA 41 Ca -0.00 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3jqj h ALA 41 Cb 0.74 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3jqj h ALA 41 CO 0.02 0.10 0.02 1.25 0.00 0.00 0.00 179.25 180.64 3jqj h LEU 42 N 0.85 0.08 -2.41 0.00 5.85 -1.25 0.40 115.31 118.84 3jqj h LEU 42 Ca 0.49 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 59.06 3jqj h LEU 42 Cb 0.57 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 3jqj h LEU 42 CO -0.30 0.23 0.08 -0.33 -0.34 0.00 0.00 178.44 177.77 3jqj h GLU 43 N -0.07 0.00 -0.68 1.25 5.08 -0.72 -0.82 114.58 118.63 3jqj h GLU 43 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3jqj h GLU 43 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3jqj h GLU 43 CO -0.00 0.00 0.00 0.36 -1.00 0.00 0.00 179.01 178.37 3jqj n LYS 44 N -3.76 2.69 0.00 2.33 2.85 -0.91 -4.93 118.16 116.44 3jqj n LYS 44 Ca -0.01 -2.47 0.00 0.00 -1.05 0.00 0.00 58.31 54.78 3jqj n LYS 44 Cb 0.17 -1.57 0.00 0.00 -0.65 0.00 0.00 35.03 32.98 3jqj n LYS 44 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3jqj n GLY 45 N 1.52 0.64 0.00 2.58 0.00 -0.31 -5.02 105.19 104.60 3jqj n GLY 45 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3jqj n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jqj n GLY 46 N -1.21 0.44 0.51 -0.02 0.00 0.14 -3.64 105.19 101.41 3jqj n GLY 46 Ca 0.00 -2.22 0.05 0.00 0.00 0.00 0.00 46.02 43.85 3jqj n GLY 46 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3jqj n VAL 47 N 0.00 0.92 0.00 1.61 0.24 -1.26 -4.58 118.33 115.27 3jqj n VAL 47 Ca 0.00 -0.96 0.00 0.00 -2.04 0.00 0.00 64.34 61.34 3jqj n VAL 47 Cb 0.00 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 3jqj n VAL 47 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3jqj n GLY 48 N 0.34 1.03 0.49 7.63 0.00 -1.26 -4.97 105.19 108.45 3jqj n GLY 48 Ca 0.09 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.23 3jqj n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jqj n LYS 49 N -0.38 1.22 0.00 1.61 5.02 -1.26 -5.08 118.16 119.29 3jqj n LYS 49 Ca 0.00 -0.98 0.00 0.00 -2.02 0.00 0.00 58.31 55.31 3jqj n LYS 49 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 3jqj n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jqj n GLY 50 N 1.40 0.04 3.59 0.72 0.00 -1.26 -4.98 105.19 104.71 3jqj n GLY 50 Ca 0.10 -2.30 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 3jqj n GLY 50 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jqj s ASP 51 N -0.25 5.70 0.22 1.61 -1.08 -1.24 -4.44 116.67 117.20 3jqj s ASP 51 Ca 0.00 1.29 -0.09 0.00 -0.52 0.00 0.00 52.55 53.23 3jqj s ASP 51 Cb 0.00 -2.52 0.35 0.00 -1.46 0.00 0.00 42.92 39.29 3jqj s ASP 51 CO 0.00 -1.87 1.67 -0.65 0.52 0.00 0.00 175.17 174.84 3jqj h PRO 52 N 13.71 0.16 -0.29 4.34 0.11 -1.87 -2.33 132.00 145.83 3jqj h PRO 52 Ca -0.34 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.60 3jqj h PRO 52 Cb 1.18 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3jqj h PRO 52 CO 1.04 0.11 -0.46 -0.07 -0.21 0.00 0.00 178.00 178.41 3jqj h LEU 53 N 0.17 0.82 -0.26 2.35 3.38 -1.95 -1.89 115.31 117.93 3jqj h LEU 53 Ca 0.35 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3jqj h LEU 53 Cb 0.59 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3jqj h LEU 53 CO -0.53 1.16 0.03 0.58 0.09 0.00 0.00 178.44 179.77 3jqj h VAL 54 N 0.60 1.24 -0.54 1.22 2.07 -1.87 -0.95 116.25 118.02 3jqj h VAL 54 Ca 0.03 -0.81 -0.09 0.00 0.82 0.00 0.00 66.70 66.66 3jqj h VAL 54 Cb 1.03 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 3jqj h VAL 54 CO 0.10 0.26 -0.01 0.58 0.02 0.00 0.00 177.57 178.52 3jqj h VAL 55 N 0.23 1.26 -0.65 2.57 2.07 -1.46 -2.92 116.25 117.36 3jqj h VAL 55 Ca 0.08 -1.12 -0.06 0.00 0.82 0.00 0.00 66.70 66.41 3jqj h VAL 55 Cb 0.35 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3jqj h VAL 55 CO 0.01 0.40 0.15 0.00 0.02 0.00 0.00 177.57 178.15 3jqj h ALA 56 N 0.95 1.05 -0.52 1.67 0.00 -1.26 -1.13 119.26 120.03 3jqj h ALA 56 Ca 0.15 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3jqj h ALA 56 Cb 0.55 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3jqj h ALA 56 CO 0.03 0.63 0.19 0.37 0.00 0.00 0.00 179.25 180.46 3jqj h GLN 57 N 0.98 0.79 -0.16 0.00 -0.00 -1.07 -1.00 115.11 114.64 3jqj h GLN 57 Ca 0.21 -0.16 -0.16 0.00 -0.00 0.00 0.00 58.65 58.54 3jqj h GLN 57 Cb 0.35 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 27.70 3jqj h GLN 57 CO 0.00 0.71 -0.58 1.25 0.00 0.00 0.00 178.83 180.21 3jqj h LEU 58 N 0.70 0.59 -1.63 -2.39 5.85 -1.41 -2.62 115.31 114.40 3jqj h LEU 58 Ca 0.17 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.57 3jqj h LEU 58 Cb 0.23 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3jqj h LEU 58 CO -0.01 1.04 0.26 0.00 -0.34 0.00 0.00 178.44 179.39 3jqj h ALA 59 N 0.96 1.74 -0.41 1.25 0.00 -0.85 -1.73 119.26 120.22 3jqj h ALA 59 Ca -0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3jqj h ALA 59 Cb 1.13 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3jqj h ALA 59 CO 0.11 0.24 -0.03 0.78 0.00 0.00 0.00 179.25 180.35 3jqj h GLY 60 N 0.51 0.81 0.95 0.00 0.00 -0.82 -0.95 103.07 103.58 3jqj h GLY 60 Ca 0.14 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 3jqj h GLY 60 CO -0.03 0.57 0.18 -2.22 0.00 0.00 0.00 176.54 175.04 3jqj h ILE 61 N 0.58 1.18 -0.75 2.60 2.04 -1.21 -1.89 117.51 120.07 3jqj h ILE 61 Ca 0.11 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 3jqj h ILE 61 Cb 0.53 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 3jqj h ILE 61 CO 0.03 0.20 0.36 -0.07 0.00 0.00 0.00 178.15 178.67 3jqj h LEU 62 N 0.49 0.97 -0.96 1.44 3.38 -1.27 -2.78 115.31 116.59 3jqj h LEU 62 Ca 0.13 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3jqj h LEU 62 Cb 0.15 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3jqj h LEU 62 CO -0.01 0.83 0.42 0.00 0.09 0.00 0.00 178.44 179.76 3jqj h ALA 63 N 1.18 1.20 -0.94 1.53 0.00 -0.89 -2.09 119.26 119.25 3jqj h ALA 63 Ca 0.26 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.10 3jqj h ALA 63 Cb 0.11 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 17.50 3jqj h ALA 63 CO -0.03 0.63 0.59 0.00 0.00 0.00 0.00 179.25 180.44 3jqj h ALA 64 N 1.30 1.31 0.00 0.00 0.00 -1.06 -0.86 119.26 119.96 3jqj h ALA 64 Ca 0.29 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 3jqj h ALA 64 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3jqj h ALA 64 CO -0.04 0.33 -0.38 0.87 0.00 0.00 0.00 179.25 180.03 3jqj h LYS 65 N 1.05 0.00 -0.27 0.00 1.57 -1.32 -3.03 116.57 114.57 3jqj h LYS 65 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 3jqj h LYS 65 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3jqj h LYS 65 CO -0.19 0.38 0.00 1.63 -0.57 0.00 0.00 179.45 180.70 3jqj n LYS 66 N -3.58 2.05 -0.20 3.15 5.02 -0.43 -4.54 118.16 119.62 3jqj n LYS 66 Ca -0.00 -1.59 0.00 0.00 -2.02 0.00 0.00 58.31 54.70 3jqj n LYS 66 Cb 0.50 -1.44 0.11 0.00 -0.02 0.00 0.00 35.03 34.19 3jqj n LYS 66 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3jqj h THR 67 N 3.12 0.73 0.00 -0.18 2.02 -1.14 -1.20 112.91 116.26 3jqj h THR 67 Ca 0.00 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 3jqj h THR 67 Cb 0.69 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 3jqj h THR 67 CO 0.00 0.07 -0.07 0.00 0.37 0.00 0.00 175.52 175.89 3jqj h ALA 68 N 1.44 1.37 0.00 6.16 0.00 -1.85 -0.61 119.26 125.78 3jqj h ALA 68 Ca 0.31 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3jqj h ALA 68 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3jqj h ALA 68 CO -0.33 0.09 -0.25 0.22 0.00 0.00 0.00 179.25 178.98 3jqj h ASP 69 N 0.00 0.00 0.00 0.00 3.58 -1.55 -3.36 116.42 115.09 3jqj h ASP 69 Ca -0.00 -0.07 -0.32 0.00 0.42 0.00 0.00 57.03 57.06 3jqj h ASP 69 Cb 0.20 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.19 3jqj h ASP 69 CO 0.01 0.03 -2.22 0.18 -2.88 0.00 0.00 179.24 174.36 3jqj n LEU 70 N -2.35 1.29 -4.40 2.28 4.77 -0.47 -4.85 117.00 113.27 3jqj n LEU 70 Ca 0.04 -0.05 -0.43 0.00 -0.03 0.00 0.00 56.01 55.54 3jqj n LEU 70 Cb 0.45 -0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 41.36 3jqj n LEU 70 CO 0.33 0.62 -0.02 -0.63 -1.33 0.00 0.00 177.39 176.36 3jqj s ILE 71 N -2.43 5.11 0.25 -0.08 -1.09 -0.36 -5.00 121.20 117.60 3jqj s ILE 71 Ca -0.18 -0.97 -0.12 0.00 -2.23 0.00 0.00 60.65 57.15 3jqj s ILE 71 Cb 0.06 -3.99 0.35 0.00 -1.58 0.00 0.00 42.46 37.30 3jqj s ILE 71 CO 0.62 -0.48 1.49 -2.65 -1.23 0.00 0.00 174.94 172.69 3jqj n PRO 72 N 5.15 -0.15 -0.29 2.79 -0.02 -1.26 -1.49 135.00 139.74 3jqj n PRO 72 Ca -0.12 1.48 0.09 0.00 -2.02 0.00 0.00 63.50 62.93 3jqj n PRO 72 Cb 0.45 -2.20 0.25 0.00 -0.02 0.00 0.00 33.50 31.97 3jqj n PRO 72 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3jqj n LEU 73 N -5.49 3.03 -4.76 2.45 4.77 -1.26 -4.95 117.00 110.79 3jqj n LEU 73 Ca 0.13 -1.51 -0.40 0.00 -0.03 0.00 0.00 56.01 54.19 3jqj n LEU 73 Cb 0.44 -0.38 -0.04 0.00 -2.33 0.00 0.00 43.42 41.11 3jqj n LEU 73 CO -0.12 0.75 0.82 0.00 -1.33 0.00 0.00 177.39 177.50 3jqj s HIS 75 N -1.17 3.83 -0.04 0.00 3.76 -1.26 -4.85 115.29 115.56 3jqj s HIS 75 Ca 0.45 1.81 -0.30 0.00 -0.15 0.00 0.00 55.06 56.88 3jqj s HIS 75 Cb -0.33 -3.05 -0.04 0.00 1.11 0.00 0.00 32.58 30.27 3jqj s HIS 75 CO 0.43 0.22 1.22 -1.25 -0.85 0.00 0.00 174.74 174.50 3jqj s PRO 76 N -0.18 4.35 0.09 8.40 0.04 -1.26 -4.79 135.00 141.65 3jqj s PRO 76 Ca 0.46 1.71 0.03 0.00 0.04 0.00 0.00 61.00 63.24 3jqj s PRO 76 Cb -0.24 -3.54 -0.04 0.00 0.04 0.00 0.00 34.50 30.73 3jqj s PRO 76 CO 0.30 -0.44 -0.09 -0.51 0.04 0.00 0.00 177.00 176.31 3jqj s LEU 77 N 2.12 2.40 -0.01 -3.56 1.43 -1.26 -5.12 118.68 114.68 3jqj s LEU 77 Ca 0.57 -0.81 -0.25 0.00 -1.03 0.00 0.00 54.13 52.61 3jqj s LEU 77 Cb -0.26 -0.22 -0.04 0.00 0.03 0.00 0.00 46.19 45.70 3jqj s LEU 77 CO 0.23 -0.30 0.75 -2.16 0.23 0.00 0.00 176.35 175.10 3jqj s PRO 78 N -2.83 4.47 -0.11 1.29 0.04 -1.26 -5.03 135.00 131.57 3jqj s PRO 78 Ca 0.04 1.00 -0.10 0.00 0.04 0.00 0.00 61.00 61.99 3jqj s PRO 78 Cb -0.02 -3.41 -0.05 0.00 0.04 0.00 0.00 34.50 31.06 3jqj s PRO 78 CO -0.01 0.16 0.22 -0.51 0.04 0.00 0.00 177.00 176.89 3jqj s LEU 79 N 0.42 4.37 0.00 -3.56 1.43 -1.26 -4.48 118.68 115.60 3jqj s LEU 79 Ca 0.39 0.56 0.15 0.00 -1.03 0.00 0.00 54.13 54.20 3jqj s LEU 79 Cb -0.19 -2.22 -0.06 0.00 0.03 0.00 0.00 46.19 43.75 3jqj s LEU 79 CO 0.21 0.33 0.76 0.35 0.23 0.00 0.00 176.35 178.23 3jqj n THR 80 N 2.30 0.00 -3.63 5.49 -2.24 -0.53 -4.98 114.28 110.69 3jqj n THR 80 Ca -0.17 -0.27 -0.08 0.00 -2.27 0.00 0.00 64.05 61.26 3jqj n THR 80 Cb 0.54 1.12 -0.06 0.00 -2.10 0.00 0.00 70.33 69.82 3jqj n THR 80 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3jqj s GLY 81 N -2.05 -0.08 -0.15 3.38 0.00 -1.18 -4.95 107.32 102.29 3jqj s GLY 81 Ca 0.10 2.68 -0.06 0.00 0.00 0.00 0.00 44.72 47.44 3jqj s GLY 81 CO 0.47 1.61 0.34 0.14 0.00 0.00 0.00 173.10 175.66 3jqj s VAL 82 N -0.21 -0.34 -0.03 1.40 1.01 -1.26 -1.08 120.40 119.90 3jqj s VAL 82 Ca 0.03 0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.25 3jqj s VAL 82 Cb -0.04 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.80 3jqj s VAL 82 CO -0.06 0.08 -0.18 -1.61 0.00 0.00 0.00 175.10 173.33 3jqj s GLU 83 N 2.06 1.59 -0.02 2.72 0.41 -0.39 -4.99 118.70 120.08 3jqj s GLU 83 Ca -0.04 -0.63 0.01 0.00 -0.41 0.00 0.00 54.97 53.90 3jqj s GLU 83 Cb -0.11 -1.47 0.02 0.00 -1.78 0.00 0.00 34.13 30.79 3jqj s GLU 83 CO -0.11 0.33 -0.01 0.08 -0.49 0.00 0.00 175.26 175.07 3jqj s VAL 84 N -0.25 0.18 -0.12 2.63 1.01 -1.26 -1.13 120.40 121.46 3jqj s VAL 84 Ca 0.03 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.04 3jqj s VAL 84 Cb -0.09 -0.23 0.02 0.00 0.00 0.00 0.00 36.38 36.08 3jqj s VAL 84 CO 0.00 0.11 -0.14 -0.13 0.00 0.00 0.00 175.10 174.94 3jqj s ARG 85 N 0.61 2.16 -0.20 2.72 0.52 0.81 -4.99 118.95 120.58 3jqj s ARG 85 Ca -0.06 -0.53 0.02 0.00 -0.52 0.00 0.00 55.73 54.64 3jqj s ARG 85 Cb -0.09 -1.90 0.03 0.00 0.52 0.00 0.00 34.95 33.51 3jqj s ARG 85 CO -0.01 -0.12 -0.16 0.08 0.02 0.00 0.00 175.30 175.10 3jqj s VAL 86 N 1.17 2.04 0.03 3.52 1.01 -1.26 -1.02 120.40 125.89 3jqj s VAL 86 Ca -0.03 -1.15 0.02 0.00 0.00 0.00 0.00 61.98 60.83 3jqj s VAL 86 Cb -0.14 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 3jqj s VAL 86 CO -0.04 0.33 -0.08 -1.83 0.00 0.00 0.00 175.10 173.49 3jqj s GLU 87 N 1.25 0.53 -0.17 2.72 -1.05 0.13 -4.98 118.70 117.12 3jqj s GLU 87 Ca 0.00 -0.59 -0.16 0.00 -0.15 0.00 0.00 54.97 54.08 3jqj s GLU 87 Cb -0.15 -0.38 -0.04 0.00 -0.44 0.00 0.00 34.13 33.11 3jqj s GLU 87 CO -0.10 0.08 0.37 -1.17 0.95 0.00 0.00 175.26 175.40 3jqj s LEU 88 N -1.11 4.21 -0.90 1.83 2.96 -1.26 0.41 118.68 124.82 3jqj s LEU 88 Ca -0.05 0.57 -0.06 0.00 -0.22 0.00 0.00 54.13 54.36 3jqj s LEU 88 Cb -0.07 -2.50 0.23 0.00 0.50 0.00 0.00 46.19 44.35 3jqj s LEU 88 CO 0.00 0.00 0.82 -0.76 -1.32 0.00 0.00 176.35 175.10 3jqj s LEU 89 N 0.87 5.97 0.25 -0.68 1.43 0.22 -4.94 118.68 121.80 3jqj s LEU 89 Ca 0.19 -3.35 -0.10 0.00 -1.03 0.00 0.00 54.13 49.84 3jqj s LEU 89 Cb -0.14 -2.05 0.38 0.00 0.03 0.00 0.00 46.19 44.41 3jqj s LEU 89 CO 0.07 -0.32 1.60 0.11 0.23 0.00 0.00 176.35 178.04 3jqj h LYS 90 N 6.70 0.01 -0.68 1.70 1.57 -1.96 0.12 116.57 124.04 3jqj h LYS 90 Ca 0.13 -0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.97 3jqj h LYS 90 Cb 0.90 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.16 3jqj h LYS 90 CO 0.86 0.01 0.45 0.00 -0.57 0.00 0.00 179.45 180.19 3jqj h ALA 91 N 1.81 1.76 -0.03 3.86 0.00 -1.95 -2.48 119.26 122.23 3jqj h ALA 91 Ca 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3jqj h ALA 91 Cb 0.64 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3jqj h ALA 91 CO -0.82 0.13 -0.03 0.39 0.00 0.00 0.00 179.25 178.92 3jqj n GLU 92 N -4.48 2.15 -3.85 0.00 1.02 -0.12 -4.96 120.64 110.40 3jqj n GLU 92 Ca 0.10 -1.72 -0.24 0.00 -0.02 0.00 0.00 57.16 55.27 3jqj n GLU 92 Cb 0.24 -1.46 0.01 0.00 -0.02 0.00 0.00 31.44 30.20 3jqj n GLU 92 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3jqj n LYS 93 N 1.08 -4.20 -3.98 3.49 5.02 -0.33 -4.85 118.16 114.38 3jqj n LYS 93 Ca 0.14 0.52 -0.09 0.00 -2.02 0.00 0.00 58.31 56.85 3jqj n LYS 93 Cb 0.55 -4.93 -0.11 0.00 -0.02 0.00 0.00 35.03 30.53 3jqj n LYS 93 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3jqj s ARG 94 N -6.32 0.31 -0.20 1.97 0.52 -1.11 -1.05 118.95 113.07 3jqj s ARG 94 Ca 0.10 -0.60 -0.05 0.00 -0.52 0.00 0.00 55.73 54.66 3jqj s ARG 94 Cb -0.05 0.08 -0.03 0.00 0.52 0.00 0.00 34.95 35.47 3jqj s ARG 94 CO 0.85 -0.04 0.01 0.08 0.02 0.00 0.00 175.30 176.22 3jqj s VAL 95 N -1.39 4.01 -0.15 3.52 1.01 -0.52 0.73 120.40 127.61 3jqj s VAL 95 Ca -0.15 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 3jqj s VAL 95 Cb -0.10 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 3jqj s VAL 95 CO -0.01 0.42 0.06 -0.60 0.00 0.00 0.00 175.10 174.97 3jqj s ARG 96 N 1.01 3.72 -0.05 2.72 3.52 0.17 -1.37 118.95 128.66 3jqj s ARG 96 Ca 0.02 -0.33 0.05 0.00 -0.13 0.00 0.00 55.73 55.34 3jqj s ARG 96 Cb -0.14 -3.12 -0.01 0.00 -1.56 0.00 0.00 34.95 30.12 3jqj s ARG 96 CO 0.02 0.42 -0.20 0.42 -0.81 0.00 0.00 175.30 175.15 3jqj s ILE 97 N -0.06 1.66 0.01 4.11 1.01 0.05 -0.69 121.20 127.30 3jqj s ILE 97 Ca 0.06 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.87 3jqj s ILE 97 Cb -0.12 -1.41 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 3jqj s ILE 97 CO 0.01 0.47 -0.04 -1.61 0.00 0.00 0.00 174.94 173.77 3jqj s GLU 98 N -0.08 0.33 -0.06 2.79 2.02 -0.19 -0.76 118.70 122.75 3jqj s GLU 98 Ca -0.03 -0.33 -0.06 0.00 0.02 0.00 0.00 54.97 54.57 3jqj s GLU 98 Cb -0.12 -0.22 0.02 0.00 0.10 0.00 0.00 34.13 33.91 3jqj s GLU 98 CO 0.02 0.05 0.18 0.00 0.02 0.00 0.00 175.26 175.53 3jqj s ALA 99 N -0.55 -0.44 -0.08 5.21 0.00 -0.43 -0.14 121.76 125.33 3jqj s ALA 99 Ca -0.04 0.48 0.02 0.00 0.00 0.00 0.00 51.96 52.42 3jqj s ALA 99 Cb -0.04 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.81 3jqj s ALA 99 CO -0.00 -0.09 -0.12 0.99 0.00 0.00 0.00 175.76 176.54 3jqj s THR 100 N 0.03 1.18 0.05 0.00 2.01 -0.28 -1.21 115.64 117.41 3jqj s THR 100 Ca -0.01 -0.48 0.09 0.00 0.31 0.00 0.00 61.69 61.61 3jqj s THR 100 Cb -0.02 -1.10 -0.03 0.00 0.01 0.00 0.00 72.50 71.37 3jqj s THR 100 CO 0.00 0.37 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.37 3jqj s VAL 101 N 0.89 2.28 0.10 3.82 1.01 -0.26 -1.26 120.40 126.97 3jqj s VAL 101 Ca -0.10 -1.36 0.02 0.00 0.00 0.00 0.00 61.98 60.54 3jqj s VAL 101 Cb -0.15 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 3jqj s VAL 101 CO 0.01 0.35 -0.07 -0.54 0.00 0.00 0.00 175.10 174.86 3jqj s LYS 102 N -1.30 0.83 0.09 2.72 1.02 -0.24 -1.64 119.74 121.22 3jqj s LYS 102 Ca 0.12 -1.31 -0.26 0.00 0.02 0.00 0.00 55.97 54.54 3jqj s LYS 102 Cb -0.10 -0.24 0.09 0.00 -0.52 0.00 0.00 37.83 37.06 3jqj s LYS 102 CO 0.03 -0.01 1.14 -0.08 -0.92 0.00 0.00 175.35 175.51 3jqj s THR 103 N -3.47 0.00 -0.30 2.17 -1.32 -0.69 -1.46 115.64 110.57 3jqj s THR 103 Ca 0.11 -0.43 0.01 0.00 -1.21 0.00 0.00 61.69 60.17 3jqj s THR 103 Cb 0.04 -2.45 0.09 0.00 -1.51 0.00 0.00 72.50 68.68 3jqj s THR 103 CO -0.04 0.00 0.06 -0.75 -2.21 0.00 0.00 174.62 171.68 3jqj s LYS 104 N -2.47 1.05 0.25 7.08 2.20 -1.26 0.54 119.74 127.13 3jqj s LYS 104 Ca 0.19 -1.22 -0.09 0.00 -0.36 0.00 0.00 55.97 54.50 3jqj s LYS 104 Cb 0.00 -2.40 0.04 0.00 -1.51 0.00 0.00 37.83 33.96 3jqj s LYS 104 CO 0.01 -0.89 0.49 0.00 -0.36 0.00 0.00 175.35 174.61 3jqj n ALA 105 N 4.68 -1.06 1.55 3.13 0.00 -0.91 -4.72 120.51 123.18 3jqj n ALA 105 Ca -0.03 -0.85 0.14 0.00 0.00 0.00 0.00 53.44 52.71 3jqj n ALA 105 Cb 0.43 0.68 0.61 0.00 0.00 0.00 0.00 19.45 21.17 3jqj n ALA 105 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3jqj n GLU 106 N -0.35 1.18 -3.93 0.00 4.71 -1.26 -2.07 120.64 118.92 3jqj n GLU 106 Ca -0.05 -0.53 -0.10 0.00 -0.01 0.00 0.00 57.16 56.47 3jqj n GLU 106 Cb 0.39 -1.49 -0.10 0.00 -1.01 0.00 0.00 31.44 29.23 3jqj n GLU 106 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 3jqj s THR 107 N -2.18 0.12 0.91 2.62 -4.23 -1.26 -4.93 115.64 106.69 3jqj s THR 107 Ca 0.36 -1.03 -0.12 0.00 -1.18 0.00 0.00 61.69 59.73 3jqj s THR 107 Cb 0.21 -0.75 0.14 0.00 1.34 0.00 0.00 72.50 73.44 3jqj s THR 107 CO 0.40 -0.57 1.09 -0.83 -0.54 0.00 0.00 174.62 174.18 3jqj s GLY 108 N -1.93 1.60 -0.31 3.99 0.00 -1.26 -4.99 107.32 104.42 3jqj s GLY 108 Ca -0.08 -0.16 0.08 0.00 0.00 0.00 0.00 44.72 44.56 3jqj s GLY 108 CO -0.03 0.36 1.40 3.33 0.00 0.00 0.00 173.10 178.16 3jqj n VAL 109 N -3.92 2.58 -0.20 1.40 0.24 -1.26 -4.70 118.33 112.47 3jqj n VAL 109 Ca 0.07 -3.24 -0.03 0.00 -2.04 0.00 0.00 64.34 59.09 3jqj n VAL 109 Cb 0.56 -0.58 0.17 0.00 -1.47 0.00 0.00 33.84 32.51 3jqj n VAL 109 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3jqj h GLU 110 N 1.38 0.98 -0.49 7.34 3.07 -1.93 -2.51 114.58 122.42 3jqj h GLU 110 Ca 0.25 -0.16 -0.07 0.00 -0.50 0.00 0.00 59.36 58.89 3jqj h GLU 110 Cb 1.44 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 29.16 3jqj h GLU 110 CO 0.52 0.79 0.04 0.52 -1.40 0.00 0.00 179.01 179.48 3jqj h MET 111 N 0.96 0.79 -0.51 2.33 2.86 -1.99 -1.30 114.93 118.08 3jqj h MET 111 Ca 0.23 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 3jqj h MET 111 Cb 0.17 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 3jqj h MET 111 CO -0.02 0.77 0.18 0.93 1.06 0.00 0.00 176.91 179.84 3jqj h GLU 112 N 0.75 0.78 -0.28 1.72 3.07 -1.79 0.48 114.58 119.31 3jqj h GLU 112 Ca 0.15 -0.15 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 3jqj h GLU 112 Cb 0.40 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 3jqj h GLU 112 CO 0.01 0.70 -0.07 0.00 -1.40 0.00 0.00 179.01 178.26 3jqj h ALA 113 N 1.04 0.39 -0.54 3.43 0.00 -1.23 -1.31 119.26 121.04 3jqj h ALA 113 Ca 0.17 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3jqj h ALA 113 Cb 0.23 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3jqj h ALA 113 CO -0.01 0.21 0.24 0.52 0.00 0.00 0.00 179.25 180.20 3jqj h MET 114 N 0.31 0.79 -0.62 0.00 2.86 -1.14 -2.38 114.93 114.75 3jqj h MET 114 Ca 0.07 -0.13 -0.08 0.00 -2.06 0.00 0.00 59.70 57.50 3jqj h MET 114 Cb 0.55 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 3jqj h MET 114 CO 0.03 0.67 0.07 1.15 1.06 0.00 0.00 176.91 179.89 3jqj h THR 115 N 0.73 1.26 -0.46 2.22 2.02 -0.85 -0.49 112.91 117.34 3jqj h THR 115 Ca 0.18 -1.06 0.02 0.00 0.77 0.00 0.00 66.41 66.32 3jqj h THR 115 Cb 0.16 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 3jqj h THR 115 CO -0.02 0.39 0.27 0.00 0.37 0.00 0.00 175.52 176.53 3jqj h ALA 116 N 1.01 0.58 -0.40 6.16 0.00 -1.09 -0.35 119.26 125.18 3jqj h ALA 116 Ca 0.18 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3jqj h ALA 116 Cb 0.48 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3jqj h ALA 116 CO 0.02 -0.04 0.07 0.00 0.00 0.00 0.00 179.25 179.29 3jqj h ALA 118 N 0.93 0.66 -0.13 0.00 0.00 -0.73 -1.09 119.26 118.90 3jqj h ALA 118 Ca 0.12 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 3jqj h ALA 118 Cb 0.36 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3jqj h ALA 118 CO 0.01 0.22 -0.62 0.28 0.00 0.00 0.00 179.25 179.13 3jqj h VAL 119 N 0.68 1.35 -0.65 0.00 2.07 -1.04 -0.51 116.25 118.14 3jqj h VAL 119 Ca 0.18 -1.94 -0.02 0.00 0.82 0.00 0.00 66.70 65.74 3jqj h VAL 119 Cb 0.12 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 3jqj h VAL 119 CO -0.02 0.59 0.33 0.00 0.02 0.00 0.00 177.57 178.49 3jqj h ALA 120 N 0.98 0.84 -0.54 1.67 0.00 -1.14 0.50 119.26 121.57 3jqj h ALA 120 Ca -0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3jqj h ALA 120 Cb 1.17 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3jqj h ALA 120 CO 0.11 0.38 0.22 0.00 0.00 0.00 0.00 179.25 179.96 3jqj h ALA 121 N 1.15 0.70 -0.39 0.00 0.00 -0.93 -0.50 119.26 119.29 3jqj h ALA 121 Ca 0.23 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3jqj h ALA 121 Cb 0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3jqj h ALA 121 CO -0.03 0.31 0.12 -0.07 0.00 0.00 0.00 179.25 179.58 3jqj h LEU 122 N 0.74 0.52 -0.40 0.00 3.38 -0.63 -1.83 115.31 117.08 3jqj h LEU 122 Ca 0.18 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.90 3jqj h LEU 122 Cb 0.20 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3jqj h LEU 122 CO -0.01 0.50 -0.65 0.74 0.09 0.00 0.00 178.44 179.11 3jqj h THR 123 N 0.56 1.33 -0.89 0.22 2.02 -0.25 -0.29 112.91 115.61 3jqj h THR 123 Ca 0.13 -1.94 -0.00 0.00 0.77 0.00 0.00 66.41 65.38 3jqj h THR 123 Cb 0.18 1.91 -0.04 0.00 -1.74 0.00 0.00 68.15 68.45 3jqj h THR 123 CO -0.01 0.60 0.56 0.58 0.37 0.00 0.00 175.52 177.62 3jqj h VAL 124 N 0.42 1.24 -0.23 3.16 2.07 -0.59 -0.08 116.25 122.25 3jqj h VAL 124 Ca -0.02 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 3jqj h VAL 124 Cb 1.22 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3jqj h VAL 124 CO 0.12 0.25 0.10 0.22 0.02 0.00 0.00 177.57 178.28 3jqj h TYR 125 N 1.22 0.33 -0.94 1.57 3.20 -1.04 -2.56 116.97 118.75 3jqj h TYR 125 Ca 0.32 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.20 3jqj h TYR 125 Cb -0.08 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.04 3jqj h TYR 125 CO -0.00 0.34 0.62 0.22 -1.64 0.00 0.00 178.16 177.70 3jqj h ASP 126 N 0.23 1.04 0.51 -2.11 3.58 -0.49 0.70 116.42 119.87 3jqj h ASP 126 Ca 0.08 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.51 3jqj h ASP 126 Cb 0.14 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 40.95 3jqj h ASP 126 CO -0.01 0.72 0.00 0.23 -2.88 0.00 0.00 179.24 177.30 3jqj n MET 127 N -4.43 0.31 0.00 0.28 2.81 -0.09 -3.54 117.12 112.46 3jqj n MET 127 Ca 0.12 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 56.07 3jqj n MET 127 Cb 0.09 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 3jqj n MET 127 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3jqj n LEU 128 N -1.31 0.21 -0.29 4.03 4.77 -0.86 -4.23 117.00 119.32 3jqj n LEU 128 Ca 0.11 -0.26 0.31 0.00 -0.03 0.00 0.00 56.01 56.14 3jqj n LEU 128 Cb 0.21 0.00 0.68 0.00 -2.33 0.00 0.00 43.42 41.98 3jqj n LEU 128 CO 0.19 0.05 1.28 0.50 -1.33 0.00 0.00 177.39 178.09 3jqj h LYS 129 N 0.00 0.10 -0.60 3.23 3.64 0.34 0.12 116.57 123.40 3jqj h LYS 129 Ca 0.00 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 3jqj h LYS 129 Cb 0.25 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3jqj h LYS 129 CO 0.00 0.07 0.05 0.00 -2.27 0.00 0.00 179.45 177.29 3jqj h ALA 130 N 1.49 0.94 -0.02 5.00 0.00 -1.84 -3.16 119.26 121.67 3jqj h ALA 130 Ca 0.54 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.99 3jqj h ALA 130 Cb 1.94 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 19.52 3jqj h ALA 130 CO -0.08 0.65 -0.69 0.00 0.00 0.00 0.00 179.25 179.12 3jqj h ALA 131 N 1.10 0.11 -2.46 0.00 0.00 -1.34 -3.45 119.26 113.22 3jqj h ALA 131 Ca 0.18 -0.59 -0.16 0.00 0.00 0.00 0.00 54.91 54.34 3jqj h ALA 131 Cb 0.48 0.03 -0.30 0.00 0.00 0.00 0.00 17.79 18.00 3jqj h ALA 131 CO 0.02 0.44 -0.46 -1.12 0.00 0.00 0.00 179.25 178.13 3jqj s SER 132 N -6.87 0.15 0.14 0.00 0.01 -0.98 -4.81 113.70 101.33 3jqj s SER 132 Ca -0.12 0.61 0.27 0.00 1.31 0.00 0.00 55.95 58.01 3jqj s SER 132 Cb 0.05 1.04 0.96 0.00 0.21 0.00 0.00 66.02 68.28 3jqj s SER 132 CO 0.85 -0.26 1.81 0.29 0.41 0.00 0.00 173.24 176.34 3jqj n LYS 133 N 5.37 0.16 -0.06 12.44 5.02 -1.21 -3.50 118.16 136.38 3jqj n LYS 133 Ca -0.06 0.16 0.09 0.00 -2.02 0.00 0.00 58.31 56.47 3jqj n LYS 133 Cb 0.50 -1.70 0.39 0.00 -0.02 0.00 0.00 35.03 34.20 3jqj n LYS 133 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jqj n GLY 134 N 1.25 -0.21 3.73 0.72 0.00 -1.26 -4.92 105.19 104.50 3jqj n GLY 134 Ca 0.06 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 3jqj n GLY 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3jqj n LEU 135 N -0.09 5.17 -4.19 0.99 4.77 -1.23 -5.00 117.00 117.41 3jqj n LEU 135 Ca 0.14 0.99 -0.27 0.00 -0.03 0.00 0.00 56.01 56.84 3jqj n LEU 135 Cb 0.21 -1.55 -0.16 0.00 -2.33 0.00 0.00 43.42 39.59 3jqj n LEU 135 CO 0.11 -0.67 -0.52 -0.69 -1.33 0.00 0.00 177.39 174.29 3jqj s VAL 136 N -1.29 1.57 -0.78 4.08 1.01 -1.22 -4.99 120.40 118.78 3jqj s VAL 136 Ca 0.70 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 61.66 3jqj s VAL 136 Cb -0.43 -1.32 0.12 0.00 0.00 0.00 0.00 36.38 34.75 3jqj s VAL 136 CO 0.51 0.45 0.97 -0.63 0.00 0.00 0.00 175.10 176.39 3jqj s ILE 137 N -0.29 4.73 0.11 2.22 1.01 -1.26 -0.21 121.20 127.51 3jqj s ILE 137 Ca 0.03 -1.24 -0.25 0.00 0.00 0.00 0.00 60.65 59.19 3jqj s ILE 137 Cb -0.09 -4.67 -0.09 0.00 0.01 0.00 0.00 42.46 37.62 3jqj s ILE 137 CO 0.01 -1.37 1.67 0.77 0.00 0.00 0.00 174.94 176.01 3jqj h SER 138 N 9.00 -0.51 -5.18 3.58 4.64 -1.79 -3.47 113.55 119.83 3jqj h SER 138 Ca -0.05 0.06 -0.09 0.00 -0.47 0.00 0.00 61.79 61.24 3jqj h SER 138 Cb 1.05 0.20 -0.13 0.00 -0.31 0.00 0.00 62.40 63.20 3jqj h SER 138 CO 1.09 -0.26 -0.33 -1.10 -0.87 0.00 0.00 176.83 175.37 3jqj s GLN 139 N -6.11 0.95 -0.12 4.77 -0.21 -1.26 -5.01 119.66 112.67 3jqj s GLN 139 Ca -0.15 -0.99 -0.04 0.00 0.02 0.00 0.00 55.36 54.20 3jqj s GLN 139 Cb 0.08 0.36 0.06 0.00 1.00 0.00 0.00 33.01 34.51 3jqj s GLN 139 CO 0.66 -0.32 0.22 0.08 -2.12 0.00 0.00 175.29 173.80 3jqj s VAL 140 N -3.88 -0.35 -0.01 1.09 1.01 -1.26 -1.99 120.40 115.01 3jqj s VAL 140 Ca 0.08 0.28 -0.16 0.00 0.00 0.00 0.00 61.98 62.18 3jqj s VAL 140 Cb 0.04 -0.40 0.03 0.00 0.00 0.00 0.00 36.38 36.04 3jqj s VAL 140 CO -0.08 0.10 0.33 0.00 0.00 0.00 0.00 175.10 175.45 3jqj s ARG 141 N 2.36 0.72 0.25 2.72 1.70 0.01 -5.00 118.95 121.71 3jqj s ARG 141 Ca 0.02 -0.22 -0.30 0.00 -0.47 0.00 0.00 55.73 54.76 3jqj s ARG 141 Cb -0.12 0.32 -0.09 0.00 -0.57 0.00 0.00 34.95 34.48 3jqj s ARG 141 CO -0.08 -0.21 0.97 -1.17 -1.08 0.00 0.00 175.30 173.73 3jqj s LEU 142 N -1.45 4.62 -0.10 -1.89 2.96 -1.26 -1.06 118.68 120.50 3jqj s LEU 142 Ca -0.12 2.00 0.06 0.00 -0.22 0.00 0.00 54.13 55.85 3jqj s LEU 142 Cb -0.04 -3.63 -0.10 0.00 0.50 0.00 0.00 46.19 42.92 3jqj s LEU 142 CO 0.03 0.10 -0.02 0.18 -1.32 0.00 0.00 176.35 175.33 3jqj n LEU 143 N 1.41 1.09 -3.47 -0.68 4.77 0.98 -4.69 117.00 116.42 3jqj n LEU 143 Ca -0.02 -0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.82 3jqj n LEU 143 Cb 0.47 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 3jqj n LEU 143 CO 0.50 0.41 0.52 -2.28 -1.33 0.00 0.00 177.39 175.21 3jqj s HIS 144 N -2.23 -0.49 -0.18 -1.77 5.04 -0.86 -1.46 115.29 113.33 3jqj s HIS 144 Ca -0.09 0.43 -0.28 0.00 -1.54 0.00 0.00 55.06 53.58 3jqj s HIS 144 Cb 0.03 0.52 0.10 0.00 0.04 0.00 0.00 32.58 33.28 3jqj s HIS 144 CO 0.35 -0.69 0.90 -1.59 -2.34 0.00 0.00 174.74 171.37 3jqj s LYS 145 N -3.00 0.71 0.04 2.88 0.00 -0.94 -0.50 119.74 118.93 3jqj s LYS 145 Ca 0.00 0.42 -0.07 0.00 0.00 0.00 0.00 55.97 56.32 3jqj s LYS 145 Cb -0.01 0.34 -0.01 0.00 0.00 0.00 0.00 37.83 38.16 3jqj s LYS 145 CO -0.07 -0.17 0.14 0.00 0.00 0.00 0.00 175.35 175.24 3jqj s ALA 146 N -0.55 -0.18 0.00 0.59 0.00 -0.68 -0.67 121.76 120.27 3jqj s ALA 146 Ca -0.02 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.47 3jqj s ALA 146 Cb -0.02 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.38 3jqj s ALA 146 CO 0.01 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.83 3jqj n GLY 147 N 0.65 2.34 0.00 0.00 0.00 -1.26 -2.14 105.19 104.78 3jqj n GLY 147 Ca -0.18 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 43.95 3jqj n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jqj n GLY 148 N 1.70 -0.08 0.28 -0.02 0.00 -1.26 -4.29 105.19 101.51 3jqj n GLY 148 Ca 0.00 -1.79 -0.08 0.00 0.00 0.00 0.00 46.02 44.15 3jqj n GLY 148 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3jqj h LYS 149 N 0.00 0.94 0.00 1.61 3.64 -2.00 -2.93 116.57 117.84 3jqj h LYS 149 Ca 0.00 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3jqj h LYS 149 Cb 0.00 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3jqj h LYS 149 CO 0.00 0.87 0.00 -1.13 -2.27 0.00 0.00 179.45 176.92 3jqj n SER 150 N -4.36 0.00 0.00 4.20 3.41 -1.26 -4.96 113.62 110.64 3jqj n SER 150 Ca 0.03 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 3jqj n SER 150 Cb 0.24 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3jqj n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jqj n GLY 151 N -0.25 0.15 3.78 5.00 0.00 -1.11 -4.84 105.19 107.92 3jqj n GLY 151 Ca 0.08 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 3jqj n GLY 151 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3jqj s GLU 152 N 0.00 4.23 -0.03 1.61 2.12 -1.26 -4.20 118.70 121.18 3jqj s GLU 152 Ca 0.00 1.60 0.02 0.00 0.36 0.00 0.00 54.97 56.95 3jqj s GLU 152 Cb 0.00 -2.68 0.01 0.00 0.26 0.00 0.00 34.13 31.72 3jqj s GLU 152 CO 0.00 -0.10 -0.08 -0.46 -0.54 0.00 0.00 175.26 174.08 3jqj s TRP 153 N -1.54 0.84 -0.01 5.30 -0.00 0.15 -5.00 118.94 118.68 3jqj s TRP 153 Ca 0.55 -0.21 0.05 0.00 -0.00 0.00 0.00 56.10 56.50 3jqj s TRP 153 Cb -0.25 -0.62 -0.01 0.00 -0.00 0.00 0.00 33.47 32.59 3jqj s TRP 153 CO 0.31 -0.10 -0.17 1.03 -0.00 0.00 0.00 176.95 178.02 3jqj s ARG 154 N 0.28 1.39 0.00 5.86 0.52 -1.26 -2.21 118.95 123.52 3jqj s ARG 154 Ca -0.04 -0.61 0.16 0.00 -0.52 0.00 0.00 55.73 54.72 3jqj s ARG 154 Cb -0.09 -1.34 0.98 0.00 0.52 0.00 0.00 34.95 35.02 3jqj s ARG 154 CO 0.00 0.37 1.38 -2.13 0.02 0.00 0.00 175.30 174.94