#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 4.37 0.57 1.61 3.52 -1.26 -5.01 118.95 122.75 3jqj s ARG 10 Ca 0.00 1.62 -0.20 0.00 -0.13 0.00 0.00 55.73 57.02 3jqj s ARG 10 Cb 0.00 -3.55 -0.04 0.00 -1.56 0.00 0.00 34.95 29.80 3jqj s ARG 10 CO 0.00 -0.42 1.23 -2.14 -0.81 0.00 0.00 175.30 173.16 3jqj s PRO 11 N 2.17 3.08 -0.19 5.12 0.02 -1.26 -5.06 135.00 138.88 3jqj s PRO 11 Ca 0.54 1.88 -0.28 0.00 0.02 0.00 0.00 61.00 63.17 3jqj s PRO 11 Cb -0.23 -2.03 0.09 0.00 0.02 0.00 0.00 34.50 32.34 3jqj s PRO 11 CO 0.21 -1.13 0.80 -0.98 -0.33 0.00 0.00 177.00 175.57 3jqj s ARG 12 N -3.19 0.82 -0.73 5.54 1.70 -1.26 -5.09 118.95 116.73 3jqj s ARG 12 Ca 0.75 0.57 -0.23 0.00 -0.47 0.00 0.00 55.73 56.35 3jqj s ARG 12 Cb -0.32 0.39 0.07 0.00 -0.57 0.00 0.00 34.95 34.52 3jqj s ARG 12 CO 0.35 -0.18 1.08 1.41 -1.08 0.00 0.00 175.30 176.89 3jqj s MET 13 N -0.36 3.22 -0.16 3.89 -2.45 -1.26 -4.90 119.30 117.28 3jqj s MET 13 Ca -0.03 -0.83 -0.32 0.00 -1.25 0.00 0.00 55.69 53.26 3jqj s MET 13 Cb -0.03 -4.37 -0.15 0.00 1.25 0.00 0.00 34.83 31.53 3jqj s MET 13 CO 0.03 -1.91 0.96 0.28 1.05 0.00 0.00 175.02 175.43 3jqj n VAL 14 N 6.04 0.00 -2.32 10.11 0.31 -1.26 -4.81 118.33 126.39 3jqj n VAL 14 Ca 0.03 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.93 3jqj n VAL 14 Cb 0.47 -0.16 -0.02 0.00 -0.91 0.00 0.00 33.84 33.22 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 0.95 6.53 -0.14 4.52 3.68 -1.26 -4.87 116.67 126.09 3jqj s ASP 15 Ca 0.72 1.27 0.16 0.00 2.13 0.00 0.00 52.55 56.83 3jqj s ASP 15 Cb -1.02 -2.54 0.31 0.00 -1.45 0.00 0.00 42.92 38.23 3jqj s ASP 15 CO 0.50 -1.19 1.16 1.33 0.13 0.00 0.00 175.17 177.10 3jqj n VAL 16 N 6.40 1.81 -0.26 1.11 0.24 -1.26 -4.85 118.33 121.52 3jqj n VAL 16 Ca 0.16 -2.35 0.05 0.00 -2.04 0.00 0.00 64.34 60.16 3jqj n VAL 16 Cb 0.46 -0.17 0.18 0.00 -1.47 0.00 0.00 33.84 32.85 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 0.84 0.71 -0.01 3.34 2.02 -1.98 -2.46 112.91 115.38 3jqj h THR 17 Ca -0.01 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.00 3jqj h THR 17 Cb 1.05 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3jqj h THR 17 CO 0.00 0.09 -0.21 -0.62 0.37 0.00 0.00 175.52 175.15 3jqj n GLU 18 N -4.95 0.93 -2.23 6.66 1.02 -1.26 -4.92 120.64 115.89 3jqj n GLU 18 Ca 0.14 -0.53 -0.38 0.00 -0.02 0.00 0.00 57.16 56.37 3jqj n GLU 18 Cb 0.39 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.30 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 -2.44 3.97 0.58 3.49 1.02 -0.93 -4.99 119.74 120.44 3jqj s LYS 19 Ca 0.26 1.89 -0.17 0.00 0.02 0.00 0.00 55.97 57.97 3jqj s LYS 19 Cb 0.19 -2.64 -0.04 0.00 -0.52 0.00 0.00 37.83 34.83 3jqj s LYS 19 CO 0.49 -0.41 1.09 -1.25 -0.92 0.00 0.00 175.35 174.36 3jqj s PRO 20 N -2.36 3.24 -0.04 -1.68 0.04 -1.26 -4.78 135.00 128.17 3jqj s PRO 20 Ca 0.58 1.41 -0.27 0.00 0.04 0.00 0.00 61.00 62.76 3jqj s PRO 20 Cb -0.32 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 3jqj s PRO 20 CO 0.40 -0.90 0.84 -1.21 0.04 0.00 0.00 177.00 176.18 3jqj s GLU 21 N -3.72 4.50 0.06 4.56 2.02 -1.26 -4.27 118.70 120.60 3jqj s GLU 21 Ca 0.68 1.16 -0.05 0.00 0.02 0.00 0.00 54.97 56.77 3jqj s GLU 21 Cb -0.20 -3.46 -0.02 0.00 0.10 0.00 0.00 34.13 30.56 3jqj s GLU 21 CO 0.33 -0.00 0.09 0.95 0.02 0.00 0.00 175.26 176.64 3jqj s THR 22 N 0.94 0.17 0.17 3.63 -4.23 -0.76 -4.85 115.64 110.71 3jqj s THR 22 Ca 0.45 -1.40 -0.31 0.00 -1.18 0.00 0.00 61.69 59.25 3jqj s THR 22 Cb -0.19 -1.32 -0.09 0.00 1.34 0.00 0.00 72.50 72.23 3jqj s THR 22 CO 0.23 -0.77 1.48 -0.36 -0.54 0.00 0.00 174.62 174.66 3jqj s PHE 23 N -3.65 3.12 0.06 3.99 0.08 -1.26 -2.32 117.98 117.99 3jqj s PHE 23 Ca 0.04 0.82 0.04 0.00 0.12 0.00 0.00 56.93 57.95 3jqj s PHE 23 Cb 0.05 -3.82 -0.03 0.00 -0.57 0.00 0.00 43.02 38.65 3jqj s PHE 23 CO -0.09 -2.91 -0.11 1.03 -0.10 0.00 0.00 175.22 173.03 3jqj s ARG 24 N 0.78 0.71 0.02 0.44 0.52 0.64 -4.16 118.95 117.90 3jqj s ARG 24 Ca 0.66 -0.90 -0.15 0.00 -0.52 0.00 0.00 55.73 54.82 3jqj s ARG 24 Cb -0.41 -0.59 0.02 0.00 0.52 0.00 0.00 34.95 34.49 3jqj s ARG 24 CO 0.34 0.12 0.32 -0.08 0.02 0.00 0.00 175.30 176.02 3jqj s THR 25 N -1.42 0.07 -0.18 0.02 -1.32 -0.93 -1.85 115.64 110.03 3jqj s THR 25 Ca -0.04 -0.58 -0.17 0.00 -1.21 0.00 0.00 61.69 59.69 3jqj s THR 25 Cb -0.09 -0.82 0.05 0.00 -1.51 0.00 0.00 72.50 70.13 3jqj s THR 25 CO 0.01 -0.32 0.49 0.00 -2.21 0.00 0.00 174.62 172.60 3jqj s ALA 26 N -2.05 -1.21 -0.03 11.08 0.00 -0.80 -1.44 121.76 127.31 3jqj s ALA 26 Ca -0.08 1.35 0.03 0.00 0.00 0.00 0.00 51.96 53.26 3jqj s ALA 26 Cb -0.02 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.33 3jqj s ALA 26 CO -0.00 -0.24 -0.10 0.99 0.00 0.00 0.00 175.76 176.41 3jqj s THR 27 N 0.19 0.89 0.24 0.00 2.01 -0.31 -1.26 115.64 117.39 3jqj s THR 27 Ca -0.01 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 61.59 3jqj s THR 27 Cb -0.03 -0.79 -0.05 0.00 0.01 0.00 0.00 72.50 71.64 3jqj s THR 27 CO 0.01 0.28 0.09 0.00 -0.69 0.00 0.00 174.62 174.30 3jqj s ALA 28 N 0.21 1.61 0.11 7.40 0.00 -0.15 -0.49 121.76 130.45 3jqj s ALA 28 Ca -0.04 -1.81 -0.06 0.00 0.00 0.00 0.00 51.96 50.05 3jqj s ALA 28 Cb -0.09 1.02 -0.02 0.00 0.00 0.00 0.00 23.12 24.03 3jqj s ALA 28 CO 0.01 -0.46 0.16 -1.83 0.00 0.00 0.00 175.76 173.65 3jqj s GLU 29 N -4.03 0.92 0.09 0.00 -1.05 -0.36 -1.44 118.70 112.83 3jqj s GLU 29 Ca 0.36 -1.15 -0.18 0.00 -0.15 0.00 0.00 54.97 53.85 3jqj s GLU 29 Cb 0.08 0.32 0.04 0.00 -0.44 0.00 0.00 34.13 34.12 3jqj s GLU 29 CO 0.12 -0.29 0.44 0.00 0.95 0.00 0.00 175.26 176.48 3jqj s ALA 30 N -3.94 -1.07 0.06 -0.84 0.00 0.33 -1.20 121.76 115.11 3jqj s ALA 30 Ca 0.12 0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.32 3jqj s ALA 30 Cb 0.05 0.57 -0.03 0.00 0.00 0.00 0.00 23.12 23.72 3jqj s ALA 30 CO -0.05 -0.58 -0.13 -0.06 0.00 0.00 0.00 175.76 174.93 3jqj s PHE 31 N -3.24 1.13 -0.22 0.00 0.40 0.11 -0.41 117.98 115.74 3jqj s PHE 31 Ca -0.01 -0.45 0.02 0.00 -0.60 0.00 0.00 56.93 55.89 3jqj s PHE 31 Cb 0.01 -0.64 0.05 0.00 0.51 0.00 0.00 43.02 42.94 3jqj s PHE 31 CO -0.08 0.03 -0.11 0.08 0.70 0.00 0.00 175.22 175.84 3jqj s VAL 32 N -1.24 1.86 0.04 -0.44 1.01 -0.52 0.47 120.40 121.58 3jqj s VAL 32 Ca -0.03 -1.25 -0.30 0.00 0.00 0.00 0.00 61.98 60.40 3jqj s VAL 32 Cb -0.10 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 3jqj s VAL 32 CO 0.02 0.11 1.12 -1.61 0.00 0.00 0.00 175.10 174.74 3jqj s GLU 33 N 1.28 4.48 0.04 2.72 0.41 0.14 -1.52 118.70 126.25 3jqj s GLU 33 Ca -0.04 1.65 0.02 0.00 -0.41 0.00 0.00 54.97 56.19 3jqj s GLU 33 Cb -0.18 -3.38 -0.04 0.00 -1.78 0.00 0.00 34.13 28.75 3jqj s GLU 33 CO -0.07 -0.18 0.08 -0.51 -0.49 0.00 0.00 175.26 174.09 3jqj s LEU 34 N 1.00 3.84 0.53 1.80 1.43 -0.54 -3.49 118.68 123.25 3jqj s LEU 34 Ca 0.56 0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.70 3jqj s LEU 34 Cb -0.27 -2.41 0.01 0.00 0.03 0.00 0.00 46.19 43.56 3jqj s LEU 34 CO 0.29 0.21 0.78 0.42 0.23 0.00 0.00 176.35 178.29 3jqj s THR 35 N -1.31 3.48 0.37 5.49 -4.23 -1.26 -4.89 115.64 113.29 3jqj s THR 35 Ca 0.27 -0.38 0.05 0.00 -1.18 0.00 0.00 61.69 60.45 3jqj s THR 35 Cb -0.12 -3.33 0.23 0.00 1.34 0.00 0.00 72.50 70.62 3jqj s THR 35 CO 0.19 -0.27 1.99 -0.08 -0.54 0.00 0.00 174.62 175.91 3jqj h GLU 36 N 0.09 0.61 -0.36 3.99 4.57 -1.99 -0.60 114.58 120.89 3jqj h GLU 36 Ca -0.45 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 57.56 3jqj h GLU 36 Cb 1.27 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 3jqj h GLU 36 CO 0.57 0.47 -0.20 0.93 -1.18 0.00 0.00 179.01 179.60 3jqj h GLU 37 N 0.61 0.77 -0.46 1.92 3.07 -1.93 -1.73 114.58 116.83 3jqj h GLU 37 Ca 0.16 -0.35 -0.11 0.00 -0.50 0.00 0.00 59.36 58.56 3jqj h GLU 37 Cb 0.05 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 3jqj h GLU 37 CO -0.02 0.97 -0.14 0.00 -1.40 0.00 0.00 179.01 178.41 3jqj h ALA 38 N 0.78 0.88 -0.46 3.43 0.00 -1.74 -1.16 119.26 121.00 3jqj h ALA 38 Ca 0.08 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3jqj h ALA 38 Cb 0.75 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3jqj h ALA 38 CO 0.06 0.63 0.15 1.25 0.00 0.00 0.00 179.25 181.34 3jqj h LEU 39 N 0.77 0.67 -0.24 0.00 5.85 -1.03 0.58 115.31 121.91 3jqj h LEU 39 Ca 0.12 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 3jqj h LEU 39 Cb 0.66 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3jqj h LEU 39 CO 0.05 0.70 0.10 0.28 -0.34 0.00 0.00 178.44 179.22 3jqj h SER 40 N 0.61 0.33 -0.34 1.25 0.02 -1.15 -1.04 113.55 113.22 3jqj h SER 40 Ca 0.15 -0.16 0.03 0.00 -0.84 0.00 0.00 61.79 60.97 3jqj h SER 40 Cb 0.27 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 3jqj h SER 40 CO -0.00 0.40 0.15 0.00 -1.14 0.00 0.00 176.83 176.24 3jqj h ALA 41 N 0.94 0.41 -0.75 3.77 0.00 -1.03 -1.86 119.26 120.74 3jqj h ALA 41 Ca 0.08 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3jqj h ALA 41 Cb 0.17 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3jqj h ALA 41 CO -0.01 -0.23 0.46 1.25 0.00 0.00 0.00 179.25 180.73 3jqj h LEU 42 N 0.32 0.74 -1.67 0.00 5.85 -0.63 0.30 115.31 120.22 3jqj h LEU 42 Ca 0.15 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3jqj h LEU 42 Cb 0.08 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.96 3jqj h LEU 42 CO -0.12 0.50 0.00 -0.33 -0.34 0.00 0.00 178.44 178.15 3jqj h GLU 43 N 0.88 0.00 -0.62 1.25 5.08 -0.66 -2.48 114.58 118.03 3jqj h GLU 43 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3jqj h GLU 43 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3jqj h GLU 43 CO -0.14 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.50 3jqj n LYS 44 N -2.98 3.55 0.00 2.33 5.02 -0.36 -4.92 118.16 120.80 3jqj n LYS 44 Ca 0.00 -2.82 0.00 0.00 -2.02 0.00 0.00 58.31 53.48 3jqj n LYS 44 Cb 0.25 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.44 3jqj n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jqj n GLY 45 N 1.06 0.34 0.00 0.72 0.00 -0.93 -4.98 105.19 101.39 3jqj n GLY 45 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.75 -0.07 1.04 -0.02 0.00 0.90 -3.69 105.19 101.59 3jqj n GLY 46 Ca 0.00 -2.23 0.12 0.00 0.00 0.00 0.00 46.02 43.90 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 0.36 0.00 1.61 0.24 -1.26 -4.65 118.33 114.62 3jqj n VAL 47 Ca 0.00 -0.64 0.00 0.00 -2.04 0.00 0.00 64.34 61.66 3jqj n VAL 47 Cb 0.00 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 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 1.43 1.00 0.58 7.63 0.00 -1.26 -4.96 105.19 109.60 3jqj n GLY 48 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.45 1.63 0.00 1.61 5.02 -1.26 -5.06 118.16 119.65 3jqj n LYS 49 Ca 0.00 -1.16 0.00 0.00 -2.02 0.00 0.00 58.31 55.13 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 1.29 1.57 3.61 0.72 0.00 -1.26 -4.98 105.19 106.14 3jqj n GLY 50 Ca 0.15 -2.21 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 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 0.00 5.78 0.20 1.61 -1.08 -1.24 -4.52 116.67 117.42 3jqj s ASP 51 Ca 0.00 1.80 -0.10 0.00 -0.52 0.00 0.00 52.55 53.73 3jqj s ASP 51 Cb 0.00 -2.52 0.25 0.00 -1.46 0.00 0.00 42.92 39.19 3jqj s ASP 51 CO 0.00 -1.71 1.76 -0.65 0.52 0.00 0.00 175.17 175.08 3jqj h PRO 52 N 13.50 0.44 -0.45 4.34 0.11 -1.87 -2.65 132.00 145.41 3jqj h PRO 52 Ca -0.39 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.58 3jqj h PRO 52 Cb 1.21 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3jqj h PRO 52 CO 0.98 0.29 -0.16 -0.07 -0.21 0.00 0.00 178.00 178.83 3jqj h LEU 53 N 0.45 0.86 -0.12 2.35 3.38 -1.93 -1.68 115.31 118.61 3jqj h LEU 53 Ca 0.29 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3jqj h LEU 53 Cb 0.32 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3jqj h LEU 53 CO -0.27 1.02 0.02 0.58 0.09 0.00 0.00 178.44 179.88 3jqj h VAL 54 N 0.76 1.22 -0.52 1.22 2.07 -1.89 -1.10 116.25 118.02 3jqj h VAL 54 Ca 0.11 -0.70 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 3jqj h VAL 54 Cb 0.69 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 3jqj h VAL 54 CO 0.05 0.20 0.14 0.58 0.02 0.00 0.00 177.57 178.56 3jqj h VAL 55 N -0.03 1.24 -0.72 2.57 2.07 -1.48 -2.71 116.25 117.20 3jqj h VAL 55 Ca 0.04 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 3jqj h VAL 55 Cb 0.30 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 3jqj h VAL 55 CO 0.00 0.31 0.35 0.00 0.02 0.00 0.00 177.57 178.25 3jqj h ALA 56 N 1.01 0.92 -0.66 1.67 0.00 -1.25 -0.86 119.26 120.10 3jqj h ALA 56 Ca 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3jqj h ALA 56 Cb 0.32 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3jqj h ALA 56 CO 0.00 0.48 0.36 0.37 0.00 0.00 0.00 179.25 180.46 3jqj h GLN 57 N 1.00 0.92 -0.20 0.00 -0.00 -1.07 -0.75 115.11 115.01 3jqj h GLN 57 Ca 0.25 -0.11 -0.15 0.00 -0.00 0.00 0.00 58.65 58.64 3jqj h GLN 57 Cb 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 27.48 27.40 3jqj h GLN 57 CO -0.03 0.70 -0.50 1.25 0.00 0.00 0.00 178.83 180.24 3jqj h LEU 58 N 0.90 0.61 -1.54 -2.39 5.85 -1.28 -2.75 115.31 114.72 3jqj h LEU 58 Ca 0.23 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 3jqj h LEU 58 Cb 0.05 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3jqj h LEU 58 CO -0.04 1.01 -0.09 0.00 -0.34 0.00 0.00 178.44 178.98 3jqj h ALA 59 N 1.01 1.62 -0.34 1.25 0.00 -0.68 -1.76 119.26 120.36 3jqj h ALA 59 Ca 0.02 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3jqj h ALA 59 Cb 1.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3jqj h ALA 59 CO 0.10 0.28 -0.09 0.78 0.00 0.00 0.00 179.25 180.31 3jqj h GLY 60 N 0.60 0.73 0.98 0.00 0.00 -0.86 0.03 103.07 104.54 3jqj h GLY 60 Ca 0.04 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 3jqj h GLY 60 CO 0.02 0.55 0.25 -2.22 0.00 0.00 0.00 176.54 175.13 3jqj h ILE 61 N 0.46 1.20 -0.74 2.60 2.04 -1.21 -2.14 117.51 119.71 3jqj h ILE 61 Ca 0.09 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 3jqj h ILE 61 Cb 0.60 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 3jqj h ILE 61 CO 0.04 0.22 0.25 -0.07 0.00 0.00 0.00 178.15 178.59 3jqj h LEU 62 N 0.70 1.05 -1.04 1.44 3.38 -1.23 -2.87 115.31 116.74 3jqj h LEU 62 Ca 0.18 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3jqj h LEU 62 Cb 0.13 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3jqj h LEU 62 CO -0.02 0.96 0.15 0.00 0.09 0.00 0.00 178.44 179.62 3jqj h ALA 63 N 1.18 1.23 -0.67 1.53 0.00 -0.65 -2.45 119.26 119.43 3jqj h ALA 63 Ca 0.24 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3jqj h ALA 63 Cb 0.27 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 3jqj h ALA 63 CO -0.01 0.54 0.36 0.00 0.00 0.00 0.00 179.25 180.13 3jqj h ALA 64 N 1.35 0.90 0.00 0.00 0.00 -1.16 -0.83 119.26 119.52 3jqj h ALA 64 Ca 0.18 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3jqj h ALA 64 Cb 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3jqj h ALA 64 CO -0.00 0.01 -0.31 0.87 0.00 0.00 0.00 179.25 179.82 3jqj h LYS 65 N 0.65 0.00 -0.11 0.00 1.57 -1.43 -2.88 116.57 114.37 3jqj h LYS 65 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3jqj h LYS 65 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3jqj h LYS 65 CO -0.20 0.31 0.00 1.63 -0.57 0.00 0.00 179.45 180.62 3jqj n LYS 66 N -3.79 1.80 -0.15 3.15 5.02 -0.42 -4.56 118.16 119.22 3jqj n LYS 66 Ca -0.01 -1.18 -0.04 0.00 -2.02 0.00 0.00 58.31 55.05 3jqj n LYS 66 Cb 0.40 -1.44 0.03 0.00 -0.02 0.00 0.00 35.03 33.99 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 2.62 0.44 0.00 -0.18 2.02 -1.06 -1.22 112.91 115.53 3jqj h THR 67 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3jqj h THR 67 Cb 0.57 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 3jqj h THR 67 CO 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 175.52 175.89 3jqj h ALA 68 N 1.34 1.41 0.00 6.16 0.00 -1.85 -0.43 119.26 125.89 3jqj h ALA 68 Ca 0.23 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3jqj h ALA 68 Cb 0.41 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3jqj h ALA 68 CO -0.52 0.00 -0.31 0.22 0.00 0.00 0.00 179.25 178.64 3jqj h ASP 69 N 0.00 0.00 0.06 0.00 1.82 -1.55 -3.36 116.42 113.38 3jqj h ASP 69 Ca -0.00 0.00 -0.37 0.00 -0.39 0.00 0.00 57.03 56.27 3jqj h ASP 69 Cb 0.00 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 39.95 3jqj h ASP 69 CO 0.00 0.28 -2.32 0.18 -1.61 0.00 0.00 179.24 175.78 3jqj n LEU 70 N -3.16 1.70 -4.44 2.28 4.77 -0.30 -4.82 117.00 113.03 3jqj n LEU 70 Ca 0.03 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.58 3jqj n LEU 70 Cb 0.65 -0.34 -0.10 0.00 -2.33 0.00 0.00 43.42 41.30 3jqj n LEU 70 CO 0.38 0.72 -0.05 -0.63 -1.33 0.00 0.00 177.39 176.48 3jqj s ILE 71 N -2.52 5.22 0.22 -0.08 -1.09 -0.45 -5.00 121.20 117.50 3jqj s ILE 71 Ca -0.22 -0.76 -0.19 0.00 -2.23 0.00 0.00 60.65 57.26 3jqj s ILE 71 Cb 0.08 -3.95 0.21 0.00 -1.58 0.00 0.00 42.46 37.21 3jqj s ILE 71 CO 0.72 -0.36 1.55 -0.65 -1.23 0.00 0.00 174.94 174.97 3jqj h PRO 72 N 8.64 -0.01 -0.47 2.79 0.11 -1.88 -2.13 132.00 139.05 3jqj h PRO 72 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3jqj h PRO 72 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3jqj h PRO 72 CO 0.76 -0.01 0.00 1.28 -0.21 0.00 0.00 178.00 179.82 3jqj n LEU 73 N -5.45 2.40 -4.78 2.35 4.77 -1.26 -4.93 117.00 110.09 3jqj n LEU 73 Ca 0.09 -1.20 -0.37 0.00 -0.03 0.00 0.00 56.01 54.50 3jqj n LEU 73 Cb 0.39 -0.33 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 3jqj n LEU 73 CO -0.13 0.52 0.66 0.00 -1.33 0.00 0.00 177.39 177.11 3jqj s HIS 75 N -1.65 3.85 -0.01 0.00 3.76 -1.26 -4.84 115.29 115.13 3jqj s HIS 75 Ca 0.52 1.45 -0.30 0.00 -0.15 0.00 0.00 55.06 56.57 3jqj s HIS 75 Cb -0.19 -2.64 -0.05 0.00 1.11 0.00 0.00 32.58 30.82 3jqj s HIS 75 CO 0.24 0.53 1.30 -2.14 -0.85 0.00 0.00 174.74 173.82 3jqj s PRO 76 N -1.05 4.32 0.15 8.40 0.02 -1.26 -4.77 135.00 140.82 3jqj s PRO 76 Ca 0.33 1.83 0.08 0.00 0.02 0.00 0.00 61.00 63.26 3jqj s PRO 76 Cb -0.21 -3.54 -0.04 0.00 0.02 0.00 0.00 34.50 30.73 3jqj s PRO 76 CO 0.22 -0.49 -0.18 -0.51 -0.33 0.00 0.00 177.00 175.72 3jqj s LEU 77 N 2.16 2.41 -1.10 -5.54 1.43 -1.26 -5.08 118.68 111.71 3jqj s LEU 77 Ca 0.60 -0.83 -0.18 0.00 -1.03 0.00 0.00 54.13 52.69 3jqj s LEU 77 Cb -0.29 -0.77 0.11 0.00 0.03 0.00 0.00 46.19 45.28 3jqj s LEU 77 CO 0.25 -0.05 1.40 -2.16 0.23 0.00 0.00 176.35 176.01 3jqj s PRO 78 N -2.67 3.81 0.16 1.29 0.04 -1.26 -4.99 135.00 131.37 3jqj s PRO 78 Ca 0.13 -1.91 -0.31 0.00 0.04 0.00 0.00 61.00 58.95 3jqj s PRO 78 Cb -0.06 -5.17 -0.10 0.00 0.04 0.00 0.00 34.50 29.21 3jqj s PRO 78 CO 0.05 -1.95 1.62 -0.51 0.04 0.00 0.00 177.00 176.25 3jqj s LEU 79 N 3.12 4.37 -0.00 -3.56 1.43 -1.26 -4.41 118.68 118.37 3jqj s LEU 79 Ca 0.42 2.64 0.16 0.00 -1.03 0.00 0.00 54.13 56.33 3jqj s LEU 79 Cb -0.02 -3.59 -0.19 0.00 0.03 0.00 0.00 46.19 42.42 3jqj s LEU 79 CO -0.04 -0.86 0.62 0.35 0.23 0.00 0.00 176.35 176.65 3jqj n THR 80 N 4.11 0.00 -3.62 5.49 -2.24 -0.41 -4.99 114.28 112.62 3jqj n THR 80 Ca 0.15 -0.17 -0.14 0.00 -2.27 0.00 0.00 64.05 61.61 3jqj n THR 80 Cb 0.38 0.83 -0.07 0.00 -2.10 0.00 0.00 70.33 69.37 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 -2.80 -0.52 -0.12 3.38 0.00 -1.07 -4.95 107.32 101.24 3jqj s GLY 81 Ca 0.04 2.01 -0.05 0.00 0.00 0.00 0.00 44.72 46.71 3jqj s GLY 81 CO 0.67 1.69 0.26 0.14 0.00 0.00 0.00 173.10 175.86 3jqj s VAL 82 N 0.24 -0.24 -0.04 1.40 1.01 -1.26 -0.84 120.40 120.66 3jqj s VAL 82 Ca -0.01 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.22 3jqj s VAL 82 Cb -0.05 -0.42 0.01 0.00 0.00 0.00 0.00 36.38 35.92 3jqj s VAL 82 CO 0.01 0.09 -0.11 -1.61 0.00 0.00 0.00 175.10 173.49 3jqj s GLU 83 N 1.89 1.28 -0.02 2.72 0.41 -0.26 -5.00 118.70 119.73 3jqj s GLU 83 Ca -0.04 -0.36 0.02 0.00 -0.41 0.00 0.00 54.97 54.18 3jqj s GLU 83 Cb -0.11 -1.13 0.00 0.00 -1.78 0.00 0.00 34.13 31.11 3jqj s GLU 83 CO -0.09 0.09 -0.07 0.08 -0.49 0.00 0.00 175.26 174.79 3jqj s VAL 84 N 0.38 0.58 -0.09 2.63 1.01 -1.26 -0.99 120.40 122.66 3jqj s VAL 84 Ca -0.07 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3jqj s VAL 84 Cb -0.12 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.76 3jqj s VAL 84 CO 0.02 0.19 -0.09 -0.60 0.00 0.00 0.00 175.10 174.62 3jqj s ARG 85 N 0.18 1.54 -0.21 2.72 3.52 0.40 -5.00 118.95 122.11 3jqj s ARG 85 Ca -0.02 -0.29 0.02 0.00 -0.13 0.00 0.00 55.73 55.30 3jqj s ARG 85 Cb -0.07 -1.49 0.04 0.00 -1.56 0.00 0.00 34.95 31.87 3jqj s ARG 85 CO -0.00 -0.17 -0.14 0.08 -0.81 0.00 0.00 175.30 174.26 3jqj s VAL 86 N 1.34 1.96 0.05 7.11 1.01 -1.26 -1.11 120.40 129.51 3jqj s VAL 86 Ca -0.02 -1.16 0.04 0.00 0.00 0.00 0.00 61.98 60.84 3jqj s VAL 86 Cb -0.14 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 3jqj s VAL 86 CO -0.04 0.26 -0.12 -1.61 0.00 0.00 0.00 175.10 173.59 3jqj s GLU 87 N 1.27 0.75 -0.24 2.72 2.02 -0.24 -4.96 118.70 120.02 3jqj s GLU 87 Ca -0.01 -0.83 -0.18 0.00 0.02 0.00 0.00 54.97 53.97 3jqj s GLU 87 Cb -0.16 -0.70 -0.03 0.00 0.10 0.00 0.00 34.13 33.34 3jqj s GLU 87 CO -0.09 0.16 0.53 -1.17 0.02 0.00 0.00 175.26 174.70 3jqj s LEU 88 N -1.49 4.08 -1.02 1.80 0.20 -1.26 -0.25 118.68 120.74 3jqj s LEU 88 Ca -0.03 0.59 -0.09 0.00 0.69 0.00 0.00 54.13 55.29 3jqj s LEU 88 Cb -0.09 -2.70 0.26 0.00 -0.43 0.00 0.00 46.19 43.23 3jqj s LEU 88 CO 0.01 -0.26 0.98 -0.76 -0.29 0.00 0.00 176.35 176.04 3jqj s LEU 89 N 2.12 6.29 0.22 -0.68 1.43 0.12 -4.93 118.68 123.25 3jqj s LEU 89 Ca 0.23 -3.42 -0.13 0.00 -1.03 0.00 0.00 54.13 49.77 3jqj s LEU 89 Cb -0.16 -2.16 0.25 0.00 0.03 0.00 0.00 46.19 44.16 3jqj s LEU 89 CO 0.09 -0.33 1.62 0.50 0.23 0.00 0.00 176.35 178.46 3jqj h LYS 90 N 6.80 -0.01 -0.90 1.70 3.64 -1.94 -1.39 116.57 124.46 3jqj h LYS 90 Ca 0.16 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.59 3jqj h LYS 90 Cb 0.90 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.67 3jqj h LYS 90 CO 0.93 -0.01 0.59 0.00 -2.27 0.00 0.00 179.45 178.69 3jqj h ALA 91 N 1.62 1.47 -0.09 5.00 0.00 -1.94 -1.15 119.26 124.18 3jqj h ALA 91 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3jqj h ALA 91 Cb 0.50 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3jqj h ALA 91 CO -0.69 0.42 0.00 0.39 0.00 0.00 0.00 179.25 179.36 3jqj n GLU 92 N -4.47 1.58 -4.01 0.00 1.02 -0.61 -4.92 120.64 109.23 3jqj n GLU 92 Ca 0.13 -0.86 -0.26 0.00 -0.02 0.00 0.00 57.16 56.15 3jqj n GLU 92 Cb 0.15 -1.42 -0.03 0.00 -0.02 0.00 0.00 31.44 30.12 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 0.06 -2.94 -3.85 3.49 5.02 -0.44 -4.88 118.16 114.63 3jqj n LYS 93 Ca 0.17 0.36 -0.12 0.00 -2.02 0.00 0.00 58.31 56.70 3jqj n LYS 93 Cb 0.29 -4.40 -0.10 0.00 -0.02 0.00 0.00 35.03 30.80 3jqj n LYS 93 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3jqj s ARG 94 N -6.68 0.44 -0.18 1.97 3.52 -1.02 -1.47 118.95 115.53 3jqj s ARG 94 Ca 0.02 -0.23 -0.06 0.00 -0.13 0.00 0.00 55.73 55.32 3jqj s ARG 94 Cb -0.01 0.19 -0.04 0.00 -1.56 0.00 0.00 34.95 33.53 3jqj s ARG 94 CO 0.91 -0.10 0.04 0.08 -0.81 0.00 0.00 175.30 175.41 3jqj s VAL 95 N -1.03 4.55 -0.13 7.11 1.01 -0.58 0.11 120.40 131.43 3jqj s VAL 95 Ca -0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 3jqj s VAL 95 Cb -0.06 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 3jqj s VAL 95 CO 0.02 0.46 -0.03 -0.60 0.00 0.00 0.00 175.10 174.95 3jqj s ARG 96 N 0.42 3.45 -0.08 2.72 3.52 0.65 -1.44 118.95 128.19 3jqj s ARG 96 Ca 0.01 -0.50 0.04 0.00 -0.13 0.00 0.00 55.73 55.16 3jqj s ARG 96 Cb -0.13 -2.86 -0.00 0.00 -1.56 0.00 0.00 34.95 30.40 3jqj s ARG 96 CO 0.01 0.38 -0.23 0.42 -0.81 0.00 0.00 175.30 175.07 3jqj s ILE 97 N -0.01 1.94 -0.01 4.11 1.01 0.46 -1.07 121.20 127.63 3jqj s ILE 97 Ca 0.01 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.72 3jqj s ILE 97 Cb -0.13 -1.67 -0.01 0.00 0.01 0.00 0.00 42.46 40.66 3jqj s ILE 97 CO 0.02 0.54 -0.10 -1.61 0.00 0.00 0.00 174.94 173.79 3jqj s GLU 98 N 0.20 0.85 -0.00 2.79 2.02 -0.27 -0.51 118.70 123.78 3jqj s GLU 98 Ca -0.13 -0.35 0.01 0.00 0.02 0.00 0.00 54.97 54.51 3jqj s GLU 98 Cb -0.16 -0.81 0.00 0.00 0.10 0.00 0.00 34.13 33.26 3jqj s GLU 98 CO 0.07 0.19 -0.02 0.00 0.02 0.00 0.00 175.26 175.52 3jqj s ALA 99 N -0.15 0.17 -0.08 5.21 0.00 -0.52 -0.45 121.76 125.93 3jqj s ALA 99 Ca 0.02 -0.06 0.02 0.00 0.00 0.00 0.00 51.96 51.95 3jqj s ALA 99 Cb -0.05 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.02 3jqj s ALA 99 CO -0.00 0.03 -0.13 0.99 0.00 0.00 0.00 175.76 176.65 3jqj s THR 100 N 0.05 1.26 -0.02 0.00 2.01 -0.16 -0.98 115.64 117.81 3jqj s THR 100 Ca -0.00 -0.52 0.08 0.00 0.31 0.00 0.00 61.69 61.55 3jqj s THR 100 Cb -0.02 -1.16 -0.02 0.00 0.01 0.00 0.00 72.50 71.31 3jqj s THR 100 CO -0.00 0.39 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.38 3jqj s VAL 101 N 0.87 1.91 0.14 3.82 1.01 -0.39 -1.10 120.40 126.66 3jqj s VAL 101 Ca -0.10 -1.05 0.05 0.00 0.00 0.00 0.00 61.98 60.88 3jqj s VAL 101 Cb -0.15 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 3jqj s VAL 101 CO 0.01 0.53 -0.11 -0.54 0.00 0.00 0.00 175.10 174.99 3jqj s LYS 102 N -0.60 1.06 0.10 2.72 1.02 -0.02 -1.90 119.74 122.11 3jqj s LYS 102 Ca 0.09 -1.41 -0.26 0.00 0.02 0.00 0.00 55.97 54.42 3jqj s LYS 102 Cb -0.09 -0.70 0.09 0.00 -0.52 0.00 0.00 37.83 36.60 3jqj s LYS 102 CO -0.01 0.10 1.11 -0.08 -0.92 0.00 0.00 175.35 175.55 3jqj s THR 103 N -3.03 0.00 -0.37 2.17 -1.32 -0.77 -1.29 115.64 111.03 3jqj s THR 103 Ca 0.15 -0.47 0.01 0.00 -1.21 0.00 0.00 61.69 60.17 3jqj s THR 103 Cb 0.01 -2.30 0.11 0.00 -1.51 0.00 0.00 72.50 68.80 3jqj s THR 103 CO 0.01 0.00 0.14 -0.75 -2.21 0.00 0.00 174.62 171.81 3jqj s LYS 104 N -2.64 1.13 0.08 7.08 2.20 -1.26 -0.26 119.74 126.07 3jqj s LYS 104 Ca 0.17 -1.61 -0.02 0.00 -0.36 0.00 0.00 55.97 54.14 3jqj s LYS 104 Cb 0.00 -2.45 0.01 0.00 -1.51 0.00 0.00 37.83 33.88 3jqj s LYS 104 CO 0.01 -1.03 0.14 0.00 -0.36 0.00 0.00 175.35 174.10 3jqj n ALA 105 N 4.24 -0.23 0.46 3.13 0.00 -0.98 -4.75 120.51 122.38 3jqj n ALA 105 Ca 0.03 -0.31 0.12 0.00 0.00 0.00 0.00 53.44 53.28 3jqj n ALA 105 Cb 0.39 0.25 0.16 0.00 0.00 0.00 0.00 19.45 20.25 3jqj n ALA 105 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3jqj h GLU 106 N 0.00 0.00 -5.11 0.00 3.07 -1.86 -2.03 114.58 108.64 3jqj h GLU 106 Ca -0.07 0.00 -0.36 0.00 -0.50 0.00 0.00 59.36 58.44 3jqj h GLU 106 Cb 0.26 0.00 -0.19 0.00 -0.84 0.00 0.00 28.75 27.98 3jqj h GLU 106 CO 0.09 0.00 -0.75 0.95 -1.40 0.00 0.00 179.01 177.90 3jqj s THR 107 N -3.20 1.02 1.12 1.13 -4.23 -1.26 -4.89 115.64 105.34 3jqj s THR 107 Ca 0.05 -1.52 -0.15 0.00 -1.18 0.00 0.00 61.69 58.89 3jqj s THR 107 Cb 0.12 -1.25 0.25 0.00 1.34 0.00 0.00 72.50 72.96 3jqj s THR 107 CO 0.72 -0.43 1.07 -0.83 -0.54 0.00 0.00 174.62 174.61 3jqj s GLY 108 N -2.20 1.55 -0.22 3.99 0.00 -1.26 -5.00 107.32 104.18 3jqj s GLY 108 Ca 0.03 -0.51 0.10 0.00 0.00 0.00 0.00 44.72 44.34 3jqj s GLY 108 CO 0.01 0.23 1.22 3.33 0.00 0.00 0.00 173.10 177.89 3jqj n VAL 109 N -4.61 2.26 -0.26 1.40 0.24 -1.26 -4.77 118.33 111.33 3jqj n VAL 109 Ca 0.07 -3.40 -0.03 0.00 -2.04 0.00 0.00 64.34 58.94 3jqj n VAL 109 Cb 0.57 -0.38 0.09 0.00 -1.47 0.00 0.00 33.84 32.65 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 1.18 0.86 -0.79 7.34 3.07 -1.92 -2.19 114.58 122.14 3jqj h GLU 110 Ca 0.06 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 3jqj h GLU 110 Cb 1.09 -0.19 -0.04 0.00 -0.84 0.00 0.00 28.75 28.76 3jqj h GLU 110 CO 0.12 0.57 0.45 0.52 -1.40 0.00 0.00 179.01 179.27 3jqj h MET 111 N 0.89 1.08 -0.55 2.33 2.86 -1.99 -0.89 114.93 118.65 3jqj h MET 111 Ca 0.29 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 3jqj h MET 111 Cb 0.03 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.44 3jqj h MET 111 CO -0.11 0.77 0.25 0.93 1.06 0.00 0.00 176.91 179.81 3jqj h GLU 112 N 1.09 0.80 -0.32 1.72 3.07 -1.73 0.17 114.58 119.37 3jqj h GLU 112 Ca 0.28 -0.13 -0.06 0.00 -0.50 0.00 0.00 59.36 58.95 3jqj h GLU 112 Cb -0.01 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.75 3jqj h GLU 112 CO -0.05 0.67 -0.04 0.00 -1.40 0.00 0.00 179.01 178.19 3jqj h ALA 113 N 1.09 0.44 -0.43 3.43 0.00 -1.09 -0.69 119.26 122.01 3jqj h ALA 113 Ca 0.19 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3jqj h ALA 113 Cb 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3jqj h ALA 113 CO -0.02 0.24 0.16 0.52 0.00 0.00 0.00 179.25 180.15 3jqj h MET 114 N 0.39 0.65 -0.69 0.00 2.86 -1.00 -2.25 114.93 114.88 3jqj h MET 114 Ca 0.09 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 3jqj h MET 114 Cb 0.52 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 3jqj h MET 114 CO 0.03 0.61 0.27 1.15 1.06 0.00 0.00 176.91 180.02 3jqj h THR 115 N 0.55 1.25 -0.40 2.22 2.02 -0.61 -0.50 112.91 117.44 3jqj h THR 115 Ca 0.14 -0.79 0.03 0.00 0.77 0.00 0.00 66.41 66.56 3jqj h THR 115 Cb 0.21 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 3jqj h THR 115 CO -0.01 0.31 0.21 0.00 0.37 0.00 0.00 175.52 176.40 3jqj h ALA 116 N 1.12 0.50 -0.48 6.16 0.00 -0.92 -0.94 119.26 124.70 3jqj h ALA 116 Ca 0.23 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 3jqj h ALA 116 Cb 0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3jqj h ALA 116 CO -0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 179.25 179.05 3jqj h ALA 118 N 0.91 0.61 -0.15 0.00 0.00 -0.77 -0.76 119.26 119.09 3jqj h ALA 118 Ca 0.13 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 3jqj h ALA 118 Cb 0.57 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3jqj h ALA 118 CO 0.03 0.16 -0.62 0.28 0.00 0.00 0.00 179.25 179.09 3jqj h VAL 119 N 0.62 1.33 -0.73 0.00 2.07 -1.17 -0.65 116.25 117.72 3jqj h VAL 119 Ca 0.16 -1.92 -0.05 0.00 0.82 0.00 0.00 66.70 65.71 3jqj h VAL 119 Cb 0.10 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 3jqj h VAL 119 CO -0.02 0.59 0.25 0.00 0.02 0.00 0.00 177.57 178.41 3jqj h ALA 120 N 0.92 1.06 -0.54 1.67 0.00 -1.17 -0.58 119.26 120.63 3jqj h ALA 120 Ca -0.01 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 3jqj h ALA 120 Cb 1.19 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3jqj h ALA 120 CO 0.12 0.65 0.03 0.00 0.00 0.00 0.00 179.25 180.04 3jqj h ALA 121 N 1.19 0.73 -0.24 0.00 0.00 -0.87 -0.79 119.26 119.28 3jqj h ALA 121 Ca 0.24 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3jqj h ALA 121 Cb 0.27 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3jqj h ALA 121 CO -0.01 0.53 0.06 -0.07 0.00 0.00 0.00 179.25 179.76 3jqj h LEU 122 N 0.82 0.31 -0.13 0.00 3.38 -0.70 -1.39 115.31 117.59 3jqj h LEU 122 Ca 0.16 -0.03 -0.23 0.00 0.09 0.00 0.00 57.88 57.86 3jqj h LEU 122 Cb 0.50 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.18 3jqj h LEU 122 CO 0.02 0.32 -0.87 0.74 0.09 0.00 0.00 178.44 178.74 3jqj h THR 123 N 0.34 1.29 -0.70 0.22 2.02 -0.59 -0.74 112.91 114.76 3jqj h THR 123 Ca 0.08 -2.11 0.03 0.00 0.77 0.00 0.00 66.41 65.19 3jqj h THR 123 Cb 0.13 2.15 -0.04 0.00 -1.74 0.00 0.00 68.15 68.64 3jqj h THR 123 CO -0.00 0.66 0.43 0.58 0.37 0.00 0.00 175.52 177.55 3jqj h VAL 124 N 0.45 1.08 -0.09 3.16 2.07 -0.63 0.10 116.25 122.40 3jqj h VAL 124 Ca -0.08 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.17 3jqj h VAL 124 Cb 1.50 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 3jqj h VAL 124 CO 0.17 0.15 -0.01 0.22 0.02 0.00 0.00 177.57 178.12 3jqj h TYR 125 N 0.84 -0.03 -0.63 1.57 3.20 -1.07 -2.09 116.97 118.75 3jqj h TYR 125 Ca 0.28 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.18 3jqj h TYR 125 Cb 0.04 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 3jqj h TYR 125 CO -0.05 -0.03 0.42 0.22 -1.64 0.00 0.00 178.16 177.09 3jqj h ASP 126 N 0.01 0.68 1.01 -2.11 3.58 -0.33 0.28 116.42 119.54 3jqj h ASP 126 Ca 0.04 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.48 3jqj h ASP 126 Cb 0.06 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.95 3jqj h ASP 126 CO -0.08 0.48 0.00 0.23 -2.88 0.00 0.00 179.24 176.99 3jqj n MET 127 N -4.45 0.02 0.00 0.28 2.81 0.27 -4.07 117.12 111.98 3jqj n MET 127 Ca 0.07 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 3jqj n MET 127 Cb 0.09 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 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 -1.56 0.16 0.34 4.03 4.77 -0.83 -4.19 117.00 119.71 3jqj n LEU 128 Ca 0.07 -0.31 0.21 0.00 -0.03 0.00 0.00 56.01 55.94 3jqj n LEU 128 Cb 0.34 0.00 1.13 0.00 -2.33 0.00 0.00 43.42 42.56 3jqj n LEU 128 CO 0.27 0.04 1.17 0.07 -1.33 0.00 0.00 177.39 177.61 3jqj h LYS 129 N 0.00 0.00 0.00 3.23 2.10 -0.61 0.97 116.57 122.26 3jqj h LYS 129 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 3jqj h LYS 129 Cb 0.09 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.41 3jqj h LYS 129 CO 0.00 0.00 -0.18 0.00 -2.00 0.00 0.00 179.45 177.27 3jqj h ALA 130 N 1.85 1.70 0.21 0.07 0.00 -1.84 -2.40 119.26 118.84 3jqj h ALA 130 Ca 0.00 -0.16 -0.33 0.00 0.00 0.00 0.00 54.91 54.42 3jqj h ALA 130 Cb 0.15 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.94 3jqj h ALA 130 CO -0.00 0.22 -1.52 0.00 0.00 0.00 0.00 179.25 177.95 3jqj h ALA 131 N 1.82 -0.01 -2.14 0.00 0.00 -1.18 -3.46 119.26 114.30 3jqj h ALA 131 Ca -0.00 -0.96 0.03 0.00 0.00 0.00 0.00 54.91 53.98 3jqj h ALA 131 Cb 0.32 0.23 -0.22 0.00 0.00 0.00 0.00 17.79 18.12 3jqj h ALA 131 CO 0.02 0.86 -0.19 -1.12 0.00 0.00 0.00 179.25 178.82 3jqj s SER 132 N -7.40 -0.91 0.20 0.00 0.01 -0.91 -4.71 113.70 99.97 3jqj s SER 132 Ca -0.10 1.42 0.26 0.00 1.31 0.00 0.00 55.95 58.84 3jqj s SER 132 Cb 0.05 2.04 0.86 0.00 0.21 0.00 0.00 66.02 69.18 3jqj s SER 132 CO 0.91 -0.22 1.78 0.29 0.41 0.00 0.00 173.24 176.41 3jqj n LYS 133 N 5.41 0.23 -0.00 12.44 5.02 -1.17 -3.55 118.16 136.54 3jqj n LYS 133 Ca -0.11 0.22 0.12 0.00 -2.02 0.00 0.00 58.31 56.52 3jqj n LYS 133 Cb 0.49 -1.78 0.69 0.00 -0.02 0.00 0.00 35.03 34.41 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 1.18 -0.87 3.69 0.72 0.00 -1.26 -4.90 105.19 103.75 3jqj n GLY 134 Ca 0.05 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.75 3.45 -4.41 0.99 4.77 -1.23 -4.98 117.00 114.83 3jqj n LEU 135 Ca 0.18 1.17 -0.33 0.00 -0.03 0.00 0.00 56.01 57.01 3jqj n LEU 135 Cb 0.11 -1.47 -0.14 0.00 -2.33 0.00 0.00 43.42 39.59 3jqj n LEU 135 CO 0.14 -0.41 -0.46 -0.69 -1.33 0.00 0.00 177.39 174.64 3jqj s VAL 136 N -0.50 2.95 -0.26 4.08 1.01 -1.23 -4.98 120.40 121.46 3jqj s VAL 136 Ca 0.62 -0.74 -0.18 0.00 0.00 0.00 0.00 61.98 61.69 3jqj s VAL 136 Cb -0.60 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 3jqj s VAL 136 CO 0.55 0.56 0.50 -0.63 0.00 0.00 0.00 175.10 176.09 3jqj s ILE 137 N -0.27 5.08 0.17 2.22 1.01 -1.26 -0.69 121.20 127.46 3jqj s ILE 137 Ca 0.02 0.85 0.08 0.00 0.00 0.00 0.00 60.65 61.59 3jqj s ILE 137 Cb -0.13 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 3jqj s ILE 137 CO 0.03 0.09 -0.16 -0.94 0.00 0.00 0.00 174.94 173.96 3jqj s SER 138 N 1.55 2.49 -1.27 3.58 1.04 0.18 -4.91 113.70 116.35 3jqj s SER 138 Ca 0.21 -0.91 -0.06 0.00 0.48 0.00 0.00 55.95 55.67 3jqj s SER 138 Cb -0.16 -0.13 -0.01 0.00 0.10 0.00 0.00 66.02 65.83 3jqj s SER 138 CO 0.09 -0.11 0.67 0.00 0.98 0.00 0.00 173.24 174.87 3jqj n GLN 139 N 0.09 -3.44 -2.54 4.02 1.13 -1.26 -0.71 117.38 114.67 3jqj n GLN 139 Ca -0.12 0.55 -0.43 0.00 -1.94 0.00 0.00 57.00 55.06 3jqj n GLN 139 Cb 0.58 -4.81 -0.02 0.00 0.11 0.00 0.00 30.24 26.11 3jqj n GLN 139 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3jqj s VAL 140 N -3.67 4.35 0.08 5.09 1.01 -1.26 -4.10 120.40 121.90 3jqj s VAL 140 Ca 0.15 1.54 -0.13 0.00 0.00 0.00 0.00 61.98 63.54 3jqj s VAL 140 Cb -0.05 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 32.06 3jqj s VAL 140 CO 0.84 -0.47 0.31 0.00 0.00 0.00 0.00 175.10 175.78 3jqj s ARG 141 N 3.86 0.90 0.14 2.72 1.70 -0.34 -5.00 118.95 122.92 3jqj s ARG 141 Ca 0.50 -0.66 -0.25 0.00 -0.47 0.00 0.00 55.73 54.85 3jqj s ARG 141 Cb -0.14 0.38 -0.07 0.00 -0.57 0.00 0.00 34.95 34.55 3jqj s ARG 141 CO 0.19 -0.31 0.78 -1.17 -1.08 0.00 0.00 175.30 173.70 3jqj s LEU 142 N -2.46 4.57 -0.10 -1.89 2.96 -1.26 -1.22 118.68 119.27 3jqj s LEU 142 Ca -0.00 1.61 0.05 0.00 -0.22 0.00 0.00 54.13 55.57 3jqj s LEU 142 Cb 0.01 -3.28 -0.10 0.00 0.50 0.00 0.00 46.19 43.32 3jqj s LEU 142 CO -0.08 0.17 -0.03 0.18 -1.32 0.00 0.00 176.35 175.28 3jqj n LEU 143 N 1.85 1.24 -3.62 -0.68 4.77 0.35 -4.66 117.00 116.25 3jqj n LEU 143 Ca -0.05 -0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 55.78 3jqj n LEU 143 Cb 0.49 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.49 3jqj n LEU 143 CO 0.46 0.43 0.20 -2.28 -1.33 0.00 0.00 177.39 174.87 3jqj s HIS 144 N -2.23 -0.30 -0.22 -1.77 5.04 -0.92 -1.33 115.29 113.54 3jqj s HIS 144 Ca -0.09 0.21 -0.26 0.00 -1.54 0.00 0.00 55.06 53.37 3jqj s HIS 144 Cb 0.03 0.28 0.07 0.00 0.04 0.00 0.00 32.58 33.00 3jqj s HIS 144 CO 0.34 -0.64 0.70 0.21 -2.34 0.00 0.00 174.74 173.01 3jqj s LYS 145 N -2.89 0.87 0.13 2.88 2.20 -0.71 -1.17 119.74 121.05 3jqj s LYS 145 Ca -0.03 0.84 -0.15 0.00 -0.36 0.00 0.00 55.97 56.28 3jqj s LYS 145 Cb -0.00 0.42 0.03 0.00 -1.51 0.00 0.00 37.83 36.77 3jqj s LYS 145 CO -0.05 -0.14 0.37 0.00 -0.36 0.00 0.00 175.35 175.16 3jqj s ALA 146 N 0.08 -0.77 0.00 3.13 0.00 -0.52 -0.45 121.76 123.23 3jqj s ALA 146 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.74 3jqj s ALA 146 Cb -0.04 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.76 3jqj s ALA 146 CO 0.03 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.56 3jqj n GLY 147 N -0.20 -0.02 0.00 0.00 0.00 -1.26 -2.19 105.19 101.51 3jqj n GLY 147 Ca -0.15 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.18 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 0.14 -0.79 0.26 -0.02 0.00 -1.26 -4.32 105.19 99.20 3jqj n GLY 148 Ca 0.00 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.23 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 0.90 0.00 1.61 3.64 -1.99 -2.97 116.57 117.77 3jqj h LYS 149 Ca 0.00 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 3jqj h LYS 149 Cb 0.00 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3jqj h LYS 149 CO 0.00 0.92 0.00 -1.13 -2.27 0.00 0.00 179.45 176.97 3jqj n SER 150 N -4.31 0.00 -0.05 4.20 3.41 -1.26 -4.96 113.62 110.65 3jqj n SER 150 Ca 0.01 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 3jqj n SER 150 Cb 0.32 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 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 -1.00 -0.72 3.76 5.00 0.00 -1.12 -4.83 105.19 106.28 3jqj n GLY 151 Ca 0.02 -1.15 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 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 4.74 -0.03 1.61 2.12 -1.26 -4.25 118.70 121.62 3jqj s GLU 152 Ca 0.00 1.36 0.04 0.00 0.36 0.00 0.00 54.97 56.73 3jqj s GLU 152 Cb 0.00 -3.28 -0.00 0.00 0.26 0.00 0.00 34.13 31.11 3jqj s GLU 152 CO 0.00 0.52 -0.14 -0.46 -0.54 0.00 0.00 175.26 174.63 3jqj s TRP 153 N -1.08 1.42 0.01 5.30 -0.00 0.40 -5.00 118.94 119.99 3jqj s TRP 153 Ca 0.39 -0.37 0.03 0.00 -0.00 0.00 0.00 56.10 56.15 3jqj s TRP 153 Cb -0.25 -0.96 -0.01 0.00 -0.00 0.00 0.00 33.47 32.25 3jqj s TRP 153 CO 0.30 -0.12 -0.09 0.50 -0.00 0.00 0.00 176.95 177.54 3jqj s ARG 154 N -0.00 0.70 0.00 5.86 3.52 -1.26 -1.73 118.95 126.04 3jqj s ARG 154 Ca -0.02 -0.46 0.20 0.00 -0.13 0.00 0.00 55.73 55.32 3jqj s ARG 154 Cb -0.09 -0.65 1.21 0.00 -1.56 0.00 0.00 34.95 33.85 3jqj s ARG 154 CO 0.01 0.17 1.59 -2.13 -0.81 0.00 0.00 175.30 174.13