#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 4.57 0.63 1.61 3.52 -1.26 -5.02 118.95 123.00 3jqj s ARG 10 Ca 0.00 1.26 -0.19 0.00 -0.13 0.00 0.00 55.73 56.67 3jqj s ARG 10 Cb 0.00 -3.40 -0.02 0.00 -1.56 0.00 0.00 34.95 29.97 3jqj s ARG 10 CO 0.00 0.15 1.32 -2.14 -0.81 0.00 0.00 175.30 173.82 3jqj s PRO 11 N 0.32 2.67 -0.09 5.12 0.02 -1.26 -5.02 135.00 136.76 3jqj s PRO 11 Ca 0.44 2.12 -0.30 0.00 0.02 0.00 0.00 61.00 63.29 3jqj s PRO 11 Cb -0.21 -1.93 0.11 0.00 0.02 0.00 0.00 34.50 32.49 3jqj s PRO 11 CO 0.26 -1.53 0.93 -0.98 -0.33 0.00 0.00 177.00 175.35 3jqj s ARG 12 N -3.27 0.73 -0.62 5.54 1.70 -1.26 -5.08 118.95 116.68 3jqj s ARG 12 Ca 0.80 -0.03 -0.19 0.00 -0.47 0.00 0.00 55.73 55.84 3jqj s ARG 12 Cb -0.39 0.34 0.11 0.00 -0.57 0.00 0.00 34.95 34.44 3jqj s ARG 12 CO 0.42 -0.27 0.74 1.41 -1.08 0.00 0.00 175.30 176.52 3jqj s MET 13 N -1.97 3.09 0.07 3.89 -2.45 -1.26 -4.90 119.30 115.76 3jqj s MET 13 Ca 0.00 -1.33 -0.29 0.00 -1.25 0.00 0.00 55.69 52.82 3jqj s MET 13 Cb -0.01 -4.29 -0.15 0.00 1.25 0.00 0.00 34.83 31.63 3jqj s MET 13 CO -0.02 -1.57 0.69 0.28 1.05 0.00 0.00 175.02 175.45 3jqj n VAL 14 N 5.53 0.67 -2.27 10.11 0.31 -1.26 -4.80 118.33 126.61 3jqj n VAL 14 Ca -0.07 -0.17 -0.43 0.00 -0.01 0.00 0.00 64.34 63.66 3jqj n VAL 14 Cb 0.43 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.34 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 -0.33 6.36 0.00 4.52 3.68 -1.26 -4.84 116.67 124.80 3jqj s ASP 15 Ca 0.65 1.12 0.04 0.00 2.13 0.00 0.00 52.55 56.49 3jqj s ASP 15 Cb -0.92 -2.54 0.07 0.00 -1.45 0.00 0.00 42.92 38.09 3jqj s ASP 15 CO 0.46 -1.36 0.89 0.55 0.13 0.00 0.00 175.17 175.84 3jqj n VAL 16 N 6.81 0.59 -0.38 1.11 3.14 -1.26 -4.81 118.33 123.53 3jqj n VAL 16 Ca 0.17 -0.79 0.32 0.00 -2.96 0.00 0.00 64.34 61.08 3jqj n VAL 16 Cb 0.47 0.74 0.63 0.00 -1.06 0.00 0.00 33.84 34.62 3jqj n VAL 16 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 3jqj h THR 17 N 0.71 0.35 -0.20 1.55 2.02 -1.99 -1.12 112.91 114.22 3jqj h THR 17 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3jqj h THR 17 Cb 0.41 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3jqj h THR 17 CO 0.00 0.03 0.00 -0.62 0.37 0.00 0.00 175.52 175.30 3jqj n GLU 18 N -4.48 2.25 -2.87 6.66 1.02 -1.26 -4.94 120.64 117.01 3jqj n GLU 18 Ca 0.30 -1.85 -0.31 0.00 -0.02 0.00 0.00 57.16 55.27 3jqj n GLU 18 Cb 1.21 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 31.11 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 -1.76 3.89 0.48 3.49 1.02 -0.43 -5.07 119.74 121.37 3jqj s LYS 19 Ca 0.34 0.63 -0.14 0.00 0.02 0.00 0.00 55.97 56.82 3jqj s LYS 19 Cb 0.21 -2.36 -0.07 0.00 -0.52 0.00 0.00 37.83 35.09 3jqj s LYS 19 CO 0.31 -0.01 0.91 -1.25 -0.92 0.00 0.00 175.35 174.39 3jqj s PRO 20 N -3.59 3.88 -0.41 -1.68 0.04 -1.26 -4.89 135.00 127.09 3jqj s PRO 20 Ca 0.54 0.79 -0.25 0.00 0.04 0.00 0.00 61.00 62.11 3jqj s PRO 20 Cb -0.10 -2.22 0.02 0.00 0.04 0.00 0.00 34.50 32.24 3jqj s PRO 20 CO 0.26 -0.20 0.89 -1.21 0.04 0.00 0.00 177.00 176.78 3jqj s GLU 21 N -4.02 3.67 0.23 4.56 2.02 -1.26 -4.33 118.70 119.57 3jqj s GLU 21 Ca 0.56 0.31 0.11 0.00 0.02 0.00 0.00 54.97 55.97 3jqj s GLU 21 Cb -0.10 -3.86 -0.05 0.00 0.10 0.00 0.00 34.13 30.22 3jqj s GLU 21 CO 0.32 -1.05 -0.20 0.95 0.02 0.00 0.00 175.26 175.30 3jqj s THR 22 N 3.50 2.22 0.06 3.63 -4.23 -0.50 -4.77 115.64 115.56 3jqj s THR 22 Ca 0.36 -2.22 -0.31 0.00 -1.18 0.00 0.00 61.69 58.34 3jqj s THR 22 Cb -0.11 -2.15 -0.07 0.00 1.34 0.00 0.00 72.50 71.50 3jqj s THR 22 CO 0.22 -0.36 1.52 -0.36 -0.54 0.00 0.00 174.62 175.09 3jqj s PHE 23 N -2.35 2.76 0.15 3.99 2.99 -1.26 -2.23 117.98 122.03 3jqj s PHE 23 Ca 0.25 0.62 0.11 0.00 0.00 0.00 0.00 56.93 57.91 3jqj s PHE 23 Cb -0.05 -3.81 -0.04 0.00 0.00 0.00 0.00 43.02 39.12 3jqj s PHE 23 CO 0.11 -3.11 -0.25 1.03 -0.00 0.00 0.00 175.22 173.00 3jqj s ARG 24 N 2.15 1.47 -0.02 0.44 1.81 0.34 -4.28 118.95 120.87 3jqj s ARG 24 Ca 0.69 -1.39 -0.13 0.00 -1.72 0.00 0.00 55.73 53.18 3jqj s ARG 24 Cb -0.37 -1.91 0.02 0.00 -0.45 0.00 0.00 34.95 32.25 3jqj s ARG 24 CO 0.30 0.44 0.28 -0.08 -0.68 0.00 0.00 175.30 175.56 3jqj s THR 25 N -1.25 0.05 -0.13 0.02 -1.32 -1.07 -1.89 115.64 110.05 3jqj s THR 25 Ca 0.16 -0.45 -0.16 0.00 -1.21 0.00 0.00 61.69 60.03 3jqj s THR 25 Cb -0.09 -0.56 0.04 0.00 -1.51 0.00 0.00 72.50 70.38 3jqj s THR 25 CO 0.08 -0.25 0.44 0.00 -2.21 0.00 0.00 174.62 172.67 3jqj s ALA 26 N -1.15 -1.09 -0.05 11.08 0.00 -0.41 -1.58 121.76 128.57 3jqj s ALA 26 Ca -0.12 1.09 0.02 0.00 0.00 0.00 0.00 51.96 52.95 3jqj s ALA 26 Cb -0.05 -0.53 0.02 0.00 0.00 0.00 0.00 23.12 22.55 3jqj s ALA 26 CO 0.03 -0.23 -0.07 0.99 0.00 0.00 0.00 175.76 176.48 3jqj s THR 27 N -0.15 0.74 0.28 0.00 2.01 0.18 -0.83 115.64 117.87 3jqj s THR 27 Ca -0.03 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 61.74 3jqj s THR 27 Cb -0.03 -0.73 -0.06 0.00 0.01 0.00 0.00 72.50 71.70 3jqj s THR 27 CO 0.02 0.27 0.07 0.00 -0.69 0.00 0.00 174.62 174.28 3jqj s ALA 28 N 0.80 1.97 0.11 7.40 0.00 -0.18 0.47 121.76 132.33 3jqj s ALA 28 Ca -0.13 -1.92 -0.08 0.00 0.00 0.00 0.00 51.96 49.83 3jqj s ALA 28 Cb -0.15 0.82 -0.01 0.00 0.00 0.00 0.00 23.12 23.78 3jqj s ALA 28 CO 0.02 -0.37 0.20 -1.83 0.00 0.00 0.00 175.76 173.77 3jqj s GLU 29 N -3.96 0.94 0.07 0.00 -1.05 -0.25 -1.18 118.70 113.28 3jqj s GLU 29 Ca 0.36 -1.09 -0.18 0.00 -0.15 0.00 0.00 54.97 53.91 3jqj s GLU 29 Cb 0.08 0.34 0.04 0.00 -0.44 0.00 0.00 34.13 34.15 3jqj s GLU 29 CO 0.14 -0.31 0.43 0.00 0.95 0.00 0.00 175.26 176.47 3jqj s ALA 30 N -3.91 -1.06 0.11 -0.84 0.00 0.42 -1.16 121.76 115.32 3jqj s ALA 30 Ca 0.11 0.25 0.05 0.00 0.00 0.00 0.00 51.96 52.37 3jqj s ALA 30 Cb 0.05 0.48 -0.04 0.00 0.00 0.00 0.00 23.12 23.61 3jqj s ALA 30 CO -0.06 -0.53 -0.13 -0.06 0.00 0.00 0.00 175.76 174.98 3jqj s PHE 31 N -2.93 1.29 -0.22 0.00 0.40 -0.37 -0.09 117.98 116.07 3jqj s PHE 31 Ca -0.02 -0.58 -0.01 0.00 -0.60 0.00 0.00 56.93 55.71 3jqj s PHE 31 Cb 0.00 -0.68 0.06 0.00 0.51 0.00 0.00 43.02 42.91 3jqj s PHE 31 CO -0.06 0.10 -0.01 0.08 0.70 0.00 0.00 175.22 176.03 3jqj s VAL 32 N -2.21 1.07 -0.05 -0.44 1.01 -0.10 -0.36 120.40 119.33 3jqj s VAL 32 Ca 0.07 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 3jqj s VAL 32 Cb -0.04 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 3jqj s VAL 32 CO 0.02 -0.15 1.10 -1.61 0.00 0.00 0.00 175.10 174.47 3jqj s GLU 33 N 1.61 4.42 0.12 2.72 2.02 -0.29 -0.78 118.70 128.51 3jqj s GLU 33 Ca -0.04 1.55 0.01 0.00 0.02 0.00 0.00 54.97 56.52 3jqj s GLU 33 Cb -0.18 -3.51 -0.04 0.00 0.10 0.00 0.00 34.13 30.50 3jqj s GLU 33 CO -0.07 -0.31 0.26 -0.51 0.02 0.00 0.00 175.26 174.65 3jqj s LEU 34 N 1.80 4.34 0.53 1.80 1.43 -0.25 -3.24 118.68 125.08 3jqj s LEU 34 Ca 0.53 0.23 0.05 0.00 -1.03 0.00 0.00 54.13 53.91 3jqj s LEU 34 Cb -0.23 -2.95 0.04 0.00 0.03 0.00 0.00 46.19 43.08 3jqj s LEU 34 CO 0.23 0.09 0.73 0.42 0.23 0.00 0.00 176.35 178.04 3jqj s THR 35 N -1.66 2.65 0.15 5.49 -4.23 -1.26 -4.85 115.64 111.94 3jqj s THR 35 Ca 0.35 -0.83 -0.15 0.00 -1.18 0.00 0.00 61.69 59.88 3jqj s THR 35 Cb -0.12 -2.83 0.02 0.00 1.34 0.00 0.00 72.50 70.92 3jqj s THR 35 CO 0.28 0.00 1.74 -0.33 -0.54 0.00 0.00 174.62 175.77 3jqj h GLU 36 N 0.23 0.64 -0.42 3.99 4.39 -1.98 0.79 114.58 122.22 3jqj h GLU 36 Ca -0.39 -0.09 0.05 0.00 0.34 0.00 0.00 59.36 59.27 3jqj h GLU 36 Cb 1.29 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.77 3jqj h GLU 36 CO 0.47 0.53 0.16 0.93 -1.16 0.00 0.00 179.01 179.94 3jqj h GLU 37 N 0.59 0.32 -0.08 2.33 3.07 -1.94 0.14 114.58 119.01 3jqj h GLU 37 Ca 0.16 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.99 3jqj h GLU 37 Cb 0.09 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 27.93 3jqj h GLU 37 CO -0.02 0.21 0.01 0.00 -1.40 0.00 0.00 179.01 177.81 3jqj h ALA 38 N 1.27 0.11 -0.97 3.43 0.00 -1.79 -1.22 119.26 120.09 3jqj h ALA 38 Ca 0.19 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3jqj h ALA 38 Cb 0.17 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 3jqj h ALA 38 CO -0.19 -0.23 0.62 1.25 0.00 0.00 0.00 179.25 180.70 3jqj h LEU 39 N -0.12 1.00 -0.25 0.00 5.85 -0.54 0.19 115.31 121.43 3jqj h LEU 39 Ca 0.02 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 3jqj h LEU 39 Cb 0.31 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3jqj h LEU 39 CO 0.00 0.65 0.01 -1.28 -0.34 0.00 0.00 178.44 177.48 3jqj h SER 40 N 1.14 0.43 -0.78 1.25 0.87 -0.62 -2.23 113.55 113.63 3jqj h SER 40 Ca 0.41 -0.30 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 3jqj h SER 40 Cb 0.13 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 61.94 3jqj h SER 40 CO -0.16 0.63 0.43 0.00 -0.53 0.00 0.00 176.83 177.20 3jqj h ALA 41 N 0.82 1.27 0.14 6.23 0.00 -0.55 -2.86 119.26 124.31 3jqj h ALA 41 Ca 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3jqj h ALA 41 Cb 0.40 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3jqj h ALA 41 CO 0.01 0.59 -0.07 1.25 0.00 0.00 0.00 179.25 181.04 3jqj h LEU 42 N 1.10 -0.16 -0.19 0.00 6.46 -0.45 0.15 115.31 122.22 3jqj h LEU 42 Ca 0.28 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.99 3jqj h LEU 42 Cb 0.03 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.00 3jqj h LEU 42 CO -0.04 -0.06 0.00 -0.62 -0.62 0.00 0.00 178.44 177.10 3jqj n GLU 43 N -5.14 0.03 -0.14 1.25 1.02 -0.85 -1.29 120.64 115.51 3jqj n GLU 43 Ca -0.08 0.39 0.11 0.00 -0.02 0.00 0.00 57.16 57.55 3jqj n GLU 43 Cb 0.12 -1.58 0.18 0.00 -0.02 0.00 0.00 31.44 30.15 3jqj n GLU 43 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3jqj n LYS 44 N -1.64 2.39 0.00 3.49 5.02 -0.89 -4.94 118.16 121.59 3jqj n LYS 44 Ca 0.02 -2.16 0.00 0.00 -2.02 0.00 0.00 58.31 54.15 3jqj n LYS 44 Cb 0.11 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 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 1.40 0.83 0.00 0.72 0.00 -0.41 -4.98 105.19 102.74 3jqj n GLY 45 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.22 0.40 -0.02 0.00 0.47 -3.89 105.19 100.17 3jqj n GLY 46 Ca 0.00 -2.09 0.07 0.00 0.00 0.00 0.00 46.02 44.01 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 1.73 0.00 1.61 0.24 -1.26 -4.59 118.33 116.06 3jqj n VAL 47 Ca 0.00 -1.74 0.00 0.00 -2.04 0.00 0.00 64.34 60.56 3jqj n VAL 47 Cb 0.00 -0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.36 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 -0.70 0.57 0.06 7.63 0.00 -1.26 -4.93 105.19 106.55 3jqj n GLY 48 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.33 0.17 0.00 1.61 5.02 -1.26 -5.06 118.16 117.30 3jqj n LYS 49 Ca 0.00 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 3jqj n LYS 49 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 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 1.47 1.05 3.61 0.72 0.00 -1.26 -5.00 105.19 105.79 3jqj n GLY 50 Ca 0.06 -2.28 -0.43 0.00 0.00 0.00 0.00 46.02 43.37 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 5.98 0.13 1.61 -1.08 -1.25 -4.48 116.67 117.58 3jqj s ASP 51 Ca 0.00 1.69 -0.20 0.00 -0.52 0.00 0.00 52.55 53.53 3jqj s ASP 51 Cb 0.00 -2.52 -0.01 0.00 -1.46 0.00 0.00 42.92 38.93 3jqj s ASP 51 CO 0.00 -1.57 1.69 -0.65 0.52 0.00 0.00 175.17 175.16 3jqj h PRO 52 N 12.58 -0.03 -0.63 4.34 0.11 -1.88 -2.14 132.00 144.35 3jqj h PRO 52 Ca -0.37 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.66 3jqj h PRO 52 Cb 1.19 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3jqj h PRO 52 CO 0.99 -0.02 0.09 -0.07 -0.21 0.00 0.00 178.00 178.79 3jqj h LEU 53 N -0.03 1.00 -0.06 2.35 3.38 -1.93 -1.42 115.31 118.59 3jqj h LEU 53 Ca 0.11 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3jqj h LEU 53 Cb 0.20 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3jqj h LEU 53 CO -0.25 1.00 0.01 0.58 0.09 0.00 0.00 178.44 179.87 3jqj h VAL 54 N 0.98 1.21 -0.71 1.22 2.07 -1.88 -1.81 116.25 117.32 3jqj h VAL 54 Ca 0.19 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 66.99 3jqj h VAL 54 Cb 0.43 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 3jqj h VAL 54 CO 0.01 0.18 0.17 0.58 0.02 0.00 0.00 177.57 178.53 3jqj h VAL 55 N -0.14 1.26 -0.41 2.57 2.07 -1.36 -2.93 116.25 117.32 3jqj h VAL 55 Ca 0.02 -0.99 -0.09 0.00 0.82 0.00 0.00 66.70 66.46 3jqj h VAL 55 Cb 0.28 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3jqj h VAL 55 CO 0.00 0.38 -0.12 0.00 0.02 0.00 0.00 177.57 177.85 3jqj h ALA 56 N 1.09 1.02 -0.32 1.67 0.00 -1.22 -1.48 119.26 120.01 3jqj h ALA 56 Ca 0.22 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3jqj h ALA 56 Cb 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3jqj h ALA 56 CO 0.00 0.59 0.14 0.37 0.00 0.00 0.00 179.25 180.36 3jqj h GLN 57 N 0.67 0.47 -0.51 0.00 -0.00 -1.20 -1.20 115.11 113.35 3jqj h GLN 57 Ca 0.11 -0.08 -0.10 0.00 -0.00 0.00 0.00 58.65 58.59 3jqj h GLN 57 Cb 0.59 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 27.97 3jqj h GLN 57 CO 0.04 0.46 -0.08 1.25 0.00 0.00 0.00 178.83 180.50 3jqj h LEU 58 N 0.38 0.92 -1.44 -2.39 6.46 -1.40 -2.45 115.31 115.38 3jqj h LEU 58 Ca 0.11 -0.28 0.02 0.00 -0.12 0.00 0.00 57.88 57.61 3jqj h LEU 58 Cb 0.15 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.80 3jqj h LEU 58 CO -0.01 1.02 0.40 0.00 -0.62 0.00 0.00 178.44 179.22 3jqj h ALA 59 N 1.07 1.64 -0.23 1.25 0.00 -0.97 -1.15 119.26 120.87 3jqj h ALA 59 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3jqj h ALA 59 Cb 0.60 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3jqj h ALA 59 CO 0.04 0.31 0.10 0.78 0.00 0.00 0.00 179.25 180.48 3jqj h GLY 60 N 0.74 0.37 0.99 0.00 0.00 -0.74 0.14 103.07 104.58 3jqj h GLY 60 Ca 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 3jqj h GLY 60 CO -0.06 0.18 0.34 -2.22 0.00 0.00 0.00 176.54 174.78 3jqj h ILE 61 N 0.24 1.19 -0.51 2.60 2.04 -1.22 -1.19 117.51 120.66 3jqj h ILE 61 Ca 0.08 -0.48 -0.06 0.00 1.00 0.00 0.00 64.86 65.40 3jqj h ILE 61 Cb 0.15 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 3jqj h ILE 61 CO -0.01 0.21 0.06 -0.07 0.00 0.00 0.00 178.15 178.34 3jqj h LEU 62 N 0.82 0.77 -0.68 1.44 3.38 -1.02 -2.87 115.31 117.15 3jqj h LEU 62 Ca 0.21 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 3jqj h LEU 62 Cb 0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3jqj h LEU 62 CO -0.04 0.80 -0.10 0.00 0.09 0.00 0.00 178.44 179.19 3jqj h ALA 63 N 1.30 0.88 -0.76 1.53 0.00 -0.15 -2.26 119.26 119.80 3jqj h ALA 63 Ca 0.16 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.79 3jqj h ALA 63 Cb 0.38 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3jqj h ALA 63 CO 0.01 0.64 0.46 0.00 0.00 0.00 0.00 179.25 180.36 3jqj h ALA 64 N 1.05 1.02 0.00 0.00 0.00 -1.02 -1.69 119.26 118.63 3jqj h ALA 64 Ca 0.14 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3jqj h ALA 64 Cb 0.63 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3jqj h ALA 64 CO 0.04 0.20 -0.29 0.87 0.00 0.00 0.00 179.25 180.07 3jqj h LYS 65 N 0.86 0.00 -0.49 0.00 1.57 -1.36 -2.93 116.57 114.21 3jqj h LYS 65 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 3jqj h LYS 65 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3jqj h LYS 65 CO -0.16 0.29 0.00 1.63 -0.57 0.00 0.00 179.45 180.65 3jqj n LYS 66 N -3.55 2.33 -0.11 3.15 5.02 -0.72 -4.57 118.16 119.70 3jqj n LYS 66 Ca -0.01 -2.04 -0.05 0.00 -2.02 0.00 0.00 58.31 54.20 3jqj n LYS 66 Cb 0.43 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 34.00 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 3.56 0.72 0.00 -0.18 2.02 -1.15 -1.43 112.91 116.46 3jqj h THR 67 Ca 0.00 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 3jqj h THR 67 Cb 0.80 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3jqj h THR 67 CO 0.00 0.02 -0.07 0.00 0.37 0.00 0.00 175.52 175.84 3jqj h ALA 68 N 1.33 1.47 0.00 6.16 0.00 -1.84 0.56 119.26 126.94 3jqj h ALA 68 Ca 0.19 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3jqj h ALA 68 Cb 0.26 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3jqj h ALA 68 CO -0.31 0.09 -0.15 0.22 0.00 0.00 0.00 179.25 179.11 3jqj h ASP 69 N 0.00 0.00 0.02 0.00 -0.00 -1.60 -3.35 116.42 111.49 3jqj h ASP 69 Ca -0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.03 56.66 3jqj h ASP 69 Cb 0.18 0.00 -0.07 0.00 -0.00 0.00 0.00 39.33 39.44 3jqj h ASP 69 CO 0.01 0.15 -2.38 0.18 -0.00 0.00 0.00 179.24 177.19 3jqj n LEU 70 N -3.15 0.71 -4.36 2.28 4.77 -0.41 -4.83 117.00 112.01 3jqj n LEU 70 Ca 0.03 -0.02 -0.44 0.00 -0.03 0.00 0.00 56.01 55.56 3jqj n LEU 70 Cb 0.57 0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 41.74 3jqj n LEU 70 CO 0.35 0.60 0.01 -0.63 -1.33 0.00 0.00 177.39 176.39 3jqj s ILE 71 N -2.50 5.02 0.14 -0.08 -1.09 0.05 -5.01 121.20 117.74 3jqj s ILE 71 Ca -0.15 -1.15 -0.22 0.00 -2.23 0.00 0.00 60.65 56.89 3jqj s ILE 71 Cb 0.07 -4.03 -0.01 0.00 -1.58 0.00 0.00 42.46 36.92 3jqj s ILE 71 CO 0.78 -0.58 1.22 -2.65 -1.23 0.00 0.00 174.94 172.48 3jqj n PRO 72 N 5.15 -0.32 -0.09 2.79 -0.02 -1.26 -1.58 135.00 139.67 3jqj n PRO 72 Ca -0.12 1.20 0.10 0.00 -2.02 0.00 0.00 63.50 62.67 3jqj n PRO 72 Cb 0.43 -1.77 0.36 0.00 -0.02 0.00 0.00 33.50 32.50 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 -5.03 1.78 -4.75 2.45 4.77 -1.26 -4.93 117.00 110.03 3jqj n LEU 73 Ca 0.03 -0.75 -0.41 0.00 -0.03 0.00 0.00 56.01 54.85 3jqj n LEU 73 Cb 0.23 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 3jqj n LEU 73 CO -0.12 0.37 1.04 0.00 -1.33 0.00 0.00 177.39 177.35 3jqj s HIS 75 N -0.48 3.84 0.09 0.00 3.76 -1.26 -4.85 115.29 116.39 3jqj s HIS 75 Ca 0.55 1.82 -0.30 0.00 -0.15 0.00 0.00 55.06 56.98 3jqj s HIS 75 Cb -0.40 -3.07 -0.05 0.00 1.11 0.00 0.00 32.58 30.16 3jqj s HIS 75 CO 0.47 0.14 0.99 -2.14 -0.85 0.00 0.00 174.74 173.35 3jqj s PRO 76 N -0.74 4.65 0.04 8.40 0.02 -1.26 -4.80 135.00 141.30 3jqj s PRO 76 Ca 0.44 1.48 -0.15 0.00 0.02 0.00 0.00 61.00 62.79 3jqj s PRO 76 Cb -0.26 -3.39 0.02 0.00 0.02 0.00 0.00 34.50 30.89 3jqj s PRO 76 CO 0.33 0.12 0.32 -0.48 -0.33 0.00 0.00 177.00 176.96 3jqj s LEU 77 N 0.27 0.80 -0.46 -5.54 0.05 -1.26 -5.12 118.68 107.42 3jqj s LEU 77 Ca 0.49 -0.13 -0.28 0.00 0.05 0.00 0.00 54.13 54.26 3jqj s LEU 77 Cb -0.23 1.41 0.01 0.00 -2.05 0.00 0.00 46.19 45.33 3jqj s LEU 77 CO 0.30 -0.60 1.41 -2.16 -0.55 0.00 0.00 176.35 174.75 3jqj s PRO 78 N -2.40 3.48 0.19 1.48 0.04 -1.26 -5.00 135.00 131.53 3jqj s PRO 78 Ca -0.06 0.79 -0.30 0.00 0.04 0.00 0.00 61.00 61.47 3jqj s PRO 78 Cb -0.01 -4.06 -0.08 0.00 0.04 0.00 0.00 34.50 30.39 3jqj s PRO 78 CO -0.02 -1.69 1.09 -0.51 0.04 0.00 0.00 177.00 175.91 3jqj s LEU 79 N 5.65 4.50 -0.00 -3.56 1.43 -1.26 -4.31 118.68 121.13 3jqj s LEU 79 Ca 0.59 2.10 0.14 0.00 -1.03 0.00 0.00 54.13 55.92 3jqj s LEU 79 Cb -0.13 -3.61 -0.15 0.00 0.03 0.00 0.00 46.19 42.33 3jqj s LEU 79 CO 0.30 -0.20 0.58 0.35 0.23 0.00 0.00 176.35 177.61 3jqj n THR 80 N 2.24 0.00 -3.64 5.49 -2.24 -0.56 -4.99 114.28 110.59 3jqj n THR 80 Ca 0.02 -0.18 -0.07 0.00 -2.27 0.00 0.00 64.05 61.55 3jqj n THR 80 Cb 0.46 0.97 -0.07 0.00 -2.10 0.00 0.00 70.33 69.59 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 -2.36 -0.20 -0.05 3.38 0.00 -1.16 -4.95 107.32 101.97 3jqj s GLY 81 Ca 0.05 2.73 -0.02 0.00 0.00 0.00 0.00 44.72 47.47 3jqj s GLY 81 CO 0.57 2.13 0.09 0.14 0.00 0.00 0.00 173.10 176.03 3jqj s VAL 82 N 0.76 -0.15 -0.06 1.40 1.01 -1.26 -1.14 120.40 120.96 3jqj s VAL 82 Ca -0.03 0.40 0.04 0.00 0.00 0.00 0.00 61.98 62.40 3jqj s VAL 82 Cb -0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 36.38 36.14 3jqj s VAL 82 CO -0.10 0.17 -0.20 -1.61 0.00 0.00 0.00 175.10 173.36 3jqj s GLU 83 N 2.15 2.25 -0.03 2.72 0.41 -0.58 -5.01 118.70 120.61 3jqj s GLU 83 Ca 0.04 -0.71 0.01 0.00 -0.41 0.00 0.00 54.97 53.90 3jqj s GLU 83 Cb -0.12 -1.85 0.01 0.00 -1.78 0.00 0.00 34.13 30.39 3jqj s GLU 83 CO -0.04 0.23 -0.04 0.08 -0.49 0.00 0.00 175.26 175.00 3jqj s VAL 84 N 0.16 0.44 -0.08 2.63 1.01 -1.26 -1.58 120.40 121.72 3jqj s VAL 84 Ca -0.09 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 61.80 3jqj s VAL 84 Cb -0.14 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.79 3jqj s VAL 84 CO 0.04 0.18 -0.19 -0.13 0.00 0.00 0.00 175.10 175.01 3jqj s ARG 85 N 0.58 2.40 -0.20 2.72 0.52 0.46 -4.99 118.95 120.44 3jqj s ARG 85 Ca -0.07 -0.66 -0.01 0.00 -0.52 0.00 0.00 55.73 54.47 3jqj s ARG 85 Cb -0.10 -1.88 0.06 0.00 0.52 0.00 0.00 34.95 33.54 3jqj s ARG 85 CO -0.00 0.12 -0.02 0.08 0.02 0.00 0.00 175.30 175.50 3jqj s VAL 86 N 0.47 1.03 0.06 3.52 1.01 -1.26 -0.91 120.40 124.31 3jqj s VAL 86 Ca -0.16 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.05 3jqj s VAL 86 Cb -0.17 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 3jqj s VAL 86 CO 0.06 -0.08 -0.13 -1.83 0.00 0.00 0.00 175.10 173.12 3jqj s GLU 87 N 1.64 0.76 -0.11 2.72 -1.05 -0.27 -4.95 118.70 117.44 3jqj s GLU 87 Ca -0.02 -0.87 -0.22 0.00 -0.15 0.00 0.00 54.97 53.71 3jqj s GLU 87 Cb -0.17 -0.72 -0.03 0.00 -0.44 0.00 0.00 34.13 32.76 3jqj s GLU 87 CO -0.07 0.16 0.64 -1.17 0.95 0.00 0.00 175.26 175.77 3jqj s LEU 88 N -1.58 4.26 -0.94 1.83 0.20 -1.26 -0.57 118.68 120.61 3jqj s LEU 88 Ca -0.03 1.02 -0.03 0.00 0.69 0.00 0.00 54.13 55.78 3jqj s LEU 88 Cb -0.10 -2.95 0.23 0.00 -0.43 0.00 0.00 46.19 42.94 3jqj s LEU 88 CO 0.02 -0.14 0.85 -0.76 -0.29 0.00 0.00 176.35 176.03 3jqj s LEU 89 N 1.07 5.70 0.08 -0.68 1.43 -0.14 -4.96 118.68 121.18 3jqj s LEU 89 Ca 0.33 -3.73 -0.16 0.00 -1.03 0.00 0.00 54.13 49.53 3jqj s LEU 89 Cb -0.17 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 3jqj s LEU 89 CO 0.14 -0.19 1.28 0.11 0.23 0.00 0.00 176.35 177.92 3jqj h LYS 90 N 6.09 -0.02 -1.15 1.70 1.57 -1.94 -0.55 116.57 122.27 3jqj h LYS 90 Ca 0.17 0.00 0.32 0.00 -1.87 0.00 0.00 60.65 59.27 3jqj h LYS 90 Cb 0.82 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.06 3jqj h LYS 90 CO 0.89 -0.01 0.79 0.00 -0.57 0.00 0.00 179.45 180.55 3jqj h ALA 91 N -0.25 2.77 -0.00 3.86 0.00 -1.96 0.33 119.26 124.01 3jqj h ALA 91 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3jqj h ALA 91 Cb 0.22 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3jqj h ALA 91 CO -0.48 -1.15 -0.58 0.39 0.00 0.00 0.00 179.25 177.43 3jqj n GLU 92 N -4.38 0.08 -3.49 0.00 1.02 -0.35 -4.98 120.64 108.54 3jqj n GLU 92 Ca 0.26 -0.05 -0.19 0.00 -0.02 0.00 0.00 57.16 57.16 3jqj n GLU 92 Cb 1.13 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 31.13 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 -1.42 -6.72 -3.51 3.49 5.02 0.12 -4.91 118.16 110.24 3jqj n LYS 93 Ca 0.06 0.82 -0.13 0.00 -2.02 0.00 0.00 58.31 57.03 3jqj n LYS 93 Cb 0.34 -5.81 -0.04 0.00 -0.02 0.00 0.00 35.03 29.50 3jqj n LYS 93 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3jqj s ARG 94 N -5.62 0.97 -0.11 1.97 1.70 -1.18 -1.09 118.95 115.60 3jqj s ARG 94 Ca 0.12 -0.02 -0.12 0.00 -0.47 0.00 0.00 55.73 55.24 3jqj s ARG 94 Cb -0.06 0.45 -0.05 0.00 -0.57 0.00 0.00 34.95 34.73 3jqj s ARG 94 CO 0.74 -0.35 0.28 0.08 -1.08 0.00 0.00 175.30 174.97 3jqj s VAL 95 N -2.07 5.28 -0.11 4.99 1.01 0.04 -0.96 120.40 128.58 3jqj s VAL 95 Ca -0.04 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.48 3jqj s VAL 95 Cb -0.00 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 3jqj s VAL 95 CO -0.00 0.50 -0.11 -0.60 0.00 0.00 0.00 175.10 174.89 3jqj s ARG 96 N -0.32 3.14 -0.05 2.72 3.52 0.26 -0.92 118.95 127.31 3jqj s ARG 96 Ca 0.18 -0.64 0.06 0.00 -0.13 0.00 0.00 55.73 55.20 3jqj s ARG 96 Cb -0.14 -2.61 -0.01 0.00 -1.56 0.00 0.00 34.95 30.63 3jqj s ARG 96 CO 0.06 0.38 -0.24 0.42 -0.81 0.00 0.00 175.30 175.11 3jqj s ILE 97 N -0.06 1.94 0.00 4.11 1.01 0.88 -1.11 121.20 127.97 3jqj s ILE 97 Ca -0.02 -1.01 0.03 0.00 0.00 0.00 0.00 60.65 59.65 3jqj s ILE 97 Cb -0.14 -1.63 -0.01 0.00 0.01 0.00 0.00 42.46 40.69 3jqj s ILE 97 CO 0.03 0.54 -0.08 -0.70 0.00 0.00 0.00 174.94 174.74 3jqj s GLU 98 N -0.24 0.63 -0.05 2.79 2.12 -0.09 -0.44 118.70 123.42 3jqj s GLU 98 Ca -0.00 -0.36 -0.03 0.00 0.36 0.00 0.00 54.97 54.93 3jqj s GLU 98 Cb -0.12 -0.59 0.02 0.00 0.26 0.00 0.00 34.13 33.70 3jqj s GLU 98 CO 0.02 0.16 0.12 0.00 -0.54 0.00 0.00 175.26 175.01 3jqj s ALA 99 N -0.36 -0.25 -0.11 6.30 0.00 -0.32 -0.40 121.76 126.62 3jqj s ALA 99 Ca 0.01 0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.42 3jqj s ALA 99 Cb -0.04 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.82 3jqj s ALA 99 CO -0.00 -0.09 -0.15 0.99 0.00 0.00 0.00 175.76 176.51 3jqj s THR 100 N 0.48 1.50 0.11 0.00 2.01 -0.62 -1.01 115.64 118.12 3jqj s THR 100 Ca -0.04 -0.64 0.11 0.00 0.31 0.00 0.00 61.69 61.43 3jqj s THR 100 Cb -0.05 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 3jqj s THR 100 CO -0.02 0.44 -0.27 -0.69 -0.69 0.00 0.00 174.62 173.40 3jqj s VAL 101 N 1.03 2.26 0.06 3.82 1.01 -0.01 -1.53 120.40 127.05 3jqj s VAL 101 Ca -0.06 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.26 3jqj s VAL 101 Cb -0.15 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 3jqj s VAL 101 CO -0.02 0.15 -0.04 -0.54 0.00 0.00 0.00 175.10 174.65 3jqj s LYS 102 N -1.88 0.67 0.17 2.72 1.02 -0.29 -1.28 119.74 120.86 3jqj s LYS 102 Ca 0.14 -1.20 -0.23 0.00 0.02 0.00 0.00 55.97 54.70 3jqj s LYS 102 Cb -0.10 0.03 0.08 0.00 -0.52 0.00 0.00 37.83 37.32 3jqj s LYS 102 CO 0.05 -0.07 1.03 -0.08 -0.92 0.00 0.00 175.35 175.37 3jqj s THR 103 N -3.53 0.00 -0.30 2.17 -1.32 -0.79 -1.49 115.64 110.37 3jqj s THR 103 Ca 0.06 -0.59 -0.00 0.00 -1.21 0.00 0.00 61.69 59.95 3jqj s THR 103 Cb 0.05 -2.62 0.10 0.00 -1.51 0.00 0.00 72.50 68.52 3jqj s THR 103 CO -0.07 0.00 0.08 -0.75 -2.21 0.00 0.00 174.62 171.67 3jqj s LYS 104 N -2.46 0.82 0.04 7.08 2.20 -1.26 -0.50 119.74 125.66 3jqj s LYS 104 Ca 0.19 -1.12 -0.01 0.00 -0.36 0.00 0.00 55.97 54.67 3jqj s LYS 104 Cb -0.02 -2.14 0.00 0.00 -1.51 0.00 0.00 37.83 34.16 3jqj s LYS 104 CO 0.04 -0.95 0.07 0.00 -0.36 0.00 0.00 175.35 174.15 3jqj n ALA 105 N 4.79 -0.13 1.00 3.13 0.00 -0.95 -4.83 120.51 123.52 3jqj n ALA 105 Ca -0.02 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.40 3jqj n ALA 105 Cb 0.42 0.11 0.10 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.05 2.31 -4.08 0.00 4.71 -1.26 -1.41 120.64 120.85 3jqj n GLU 106 Ca -0.01 -1.91 -0.09 0.00 -0.01 0.00 0.00 57.16 55.14 3jqj n GLU 106 Cb 0.06 -1.46 -0.10 0.00 -1.01 0.00 0.00 31.44 28.92 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 -2.01 0.34 1.06 2.62 -4.23 -1.26 -4.97 115.64 107.19 3jqj s THR 107 Ca 0.28 -1.51 -0.14 0.00 -1.18 0.00 0.00 61.69 59.14 3jqj s THR 107 Cb 0.20 -1.11 0.22 0.00 1.34 0.00 0.00 72.50 73.15 3jqj s THR 107 CO 0.30 -0.76 1.10 -0.83 -0.54 0.00 0.00 174.62 173.90 3jqj s GLY 108 N -2.39 1.57 -0.20 3.99 0.00 -1.26 -4.95 107.32 104.08 3jqj s GLY 108 Ca -0.00 -0.56 0.13 0.00 0.00 0.00 0.00 44.72 44.29 3jqj s GLY 108 CO -0.05 0.13 1.27 3.33 0.00 0.00 0.00 173.10 177.78 3jqj n VAL 109 N -4.33 2.19 -0.02 1.40 0.24 -1.26 -4.69 118.33 111.87 3jqj n VAL 109 Ca 0.07 -2.75 0.01 0.00 -2.04 0.00 0.00 64.34 59.64 3jqj n VAL 109 Cb 0.58 -0.26 0.34 0.00 -1.47 0.00 0.00 33.84 33.03 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 0.79 0.57 -0.62 7.34 3.07 -1.93 -2.06 114.58 121.74 3jqj h GLU 110 Ca 0.04 -0.08 -0.10 0.00 -0.50 0.00 0.00 59.36 58.73 3jqj h GLU 110 Cb 1.17 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.95 3jqj h GLU 110 CO 0.10 0.49 0.01 0.52 -1.40 0.00 0.00 179.01 178.72 3jqj h MET 111 N 0.57 1.08 -0.65 2.33 2.86 -1.99 -0.70 114.93 118.43 3jqj h MET 111 Ca 0.14 -0.34 -0.06 0.00 -2.06 0.00 0.00 59.70 57.38 3jqj h MET 111 Cb 0.14 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 3jqj h MET 111 CO -0.01 1.05 0.18 0.93 1.06 0.00 0.00 176.91 180.12 3jqj h GLU 112 N 0.99 1.03 -0.26 1.72 3.07 -1.74 0.39 114.58 119.78 3jqj h GLU 112 Ca 0.18 -0.23 -0.15 0.00 -0.50 0.00 0.00 59.36 58.65 3jqj h GLU 112 Cb 0.56 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.32 3jqj h GLU 112 CO 0.03 0.91 -0.42 0.00 -1.40 0.00 0.00 179.01 178.14 3jqj h ALA 113 N 1.07 0.41 -0.50 3.43 0.00 -1.25 -1.52 119.26 120.89 3jqj h ALA 113 Ca 0.21 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3jqj h ALA 113 Cb 0.33 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3jqj h ALA 113 CO -0.00 0.52 0.04 0.52 0.00 0.00 0.00 179.25 180.34 3jqj h MET 114 N 0.49 0.86 -0.45 0.00 2.86 -1.02 -2.59 114.93 115.07 3jqj h MET 114 Ca 0.02 -0.25 -0.07 0.00 -2.06 0.00 0.00 59.70 57.34 3jqj h MET 114 Cb 1.02 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.57 3jqj h MET 114 CO 0.10 0.87 -0.01 1.15 1.06 0.00 0.00 176.91 180.08 3jqj h THR 115 N 0.73 1.26 -0.39 2.22 2.02 -0.92 -1.22 112.91 116.61 3jqj h THR 115 Ca 0.15 -1.06 0.06 0.00 0.77 0.00 0.00 66.41 66.33 3jqj h THR 115 Cb 0.45 1.06 -0.06 0.00 -1.74 0.00 0.00 68.15 67.86 3jqj h THR 115 CO 0.02 0.37 0.06 0.00 0.37 0.00 0.00 175.52 176.33 3jqj h ALA 116 N 0.91 0.40 -0.54 6.16 0.00 -1.19 0.22 119.26 125.22 3jqj h ALA 116 Ca 0.13 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3jqj h ALA 116 Cb 0.51 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3jqj h ALA 116 CO 0.02 -0.35 0.06 0.00 0.00 0.00 0.00 179.25 178.99 3jqj h ALA 118 N 0.98 0.37 -0.12 0.00 0.00 -0.73 -0.96 119.26 118.81 3jqj h ALA 118 Ca 0.16 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 3jqj h ALA 118 Cb 0.44 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3jqj h ALA 118 CO 0.01 -0.01 -0.55 0.28 0.00 0.00 0.00 179.25 178.98 3jqj h VAL 119 N 0.31 1.35 -0.72 0.00 2.07 -0.95 -0.24 116.25 118.06 3jqj h VAL 119 Ca 0.09 -1.84 -0.06 0.00 0.82 0.00 0.00 66.70 65.72 3jqj h VAL 119 Cb 0.21 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 3jqj h VAL 119 CO -0.01 0.55 0.21 0.00 0.02 0.00 0.00 177.57 178.34 3jqj h ALA 120 N 1.15 1.00 -0.43 1.67 0.00 -1.07 -0.39 119.26 121.19 3jqj h ALA 120 Ca 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 3jqj h ALA 120 Cb 1.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3jqj h ALA 120 CO 0.09 0.66 0.03 0.00 0.00 0.00 0.00 179.25 180.03 3jqj h ALA 121 N 1.14 0.57 -0.32 0.00 0.00 -0.82 -1.33 119.26 118.50 3jqj h ALA 121 Ca 0.23 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3jqj h ALA 121 Cb 0.33 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3jqj h ALA 121 CO -0.00 0.33 0.03 -0.07 0.00 0.00 0.00 179.25 179.53 3jqj h LEU 122 N 0.58 0.45 -0.48 0.00 3.38 -0.71 -1.73 115.31 116.81 3jqj h LEU 122 Ca 0.12 -0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 3jqj h LEU 122 Cb 0.44 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 3jqj h LEU 122 CO 0.02 0.50 -0.56 0.74 0.09 0.00 0.00 178.44 179.23 3jqj h THR 123 N 0.47 1.32 -0.61 0.22 2.02 -0.76 -0.31 112.91 115.26 3jqj h THR 123 Ca 0.11 -1.81 -0.01 0.00 0.77 0.00 0.00 66.41 65.48 3jqj h THR 123 Cb 0.27 1.77 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 3jqj h THR 123 CO 0.00 0.56 0.36 0.58 0.37 0.00 0.00 175.52 177.40 3jqj h VAL 124 N 0.46 1.18 0.09 3.16 2.07 -0.72 0.58 116.25 123.07 3jqj h VAL 124 Ca 0.01 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3jqj h VAL 124 Cb 1.12 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3jqj h VAL 124 CO 0.11 0.19 -0.07 0.22 0.02 0.00 0.00 177.57 178.04 3jqj h TYR 125 N 0.83 -0.18 -0.95 1.57 3.20 -1.05 -1.84 116.97 118.55 3jqj h TYR 125 Ca 0.22 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.16 3jqj h TYR 125 Cb -0.01 0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.27 3jqj h TYR 125 CO -0.02 -0.11 0.61 0.22 -1.64 0.00 0.00 178.16 177.22 3jqj h ASP 126 N -0.17 0.94 0.82 -2.11 3.58 -0.66 0.64 116.42 119.48 3jqj h ASP 126 Ca -0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 3jqj h ASP 126 Cb 0.16 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.02 3jqj h ASP 126 CO -0.01 0.59 0.00 0.23 -2.88 0.00 0.00 179.24 177.17 3jqj n MET 127 N -4.51 0.00 0.00 0.28 2.81 0.16 -3.96 117.12 111.91 3jqj n MET 127 Ca 0.15 0.09 0.00 0.00 -1.81 0.00 0.00 57.70 56.13 3jqj n MET 127 Cb 0.22 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 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 -1.50 0.09 0.33 4.03 4.77 -0.60 -4.24 117.00 119.87 3jqj n LEU 128 Ca 0.06 -0.30 0.21 0.00 -0.03 0.00 0.00 56.01 55.95 3jqj n LEU 128 Cb 0.28 0.00 1.13 0.00 -2.33 0.00 0.00 43.42 42.50 3jqj n LEU 128 CO 0.22 0.02 1.17 0.07 -1.33 0.00 0.00 177.39 177.55 3jqj h LYS 129 N 0.00 0.00 0.00 3.23 2.10 0.13 0.42 116.57 122.45 3jqj h LYS 129 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 3jqj h LYS 129 Cb 0.04 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.37 3jqj h LYS 129 CO 0.00 0.00 -0.16 0.00 -2.00 0.00 0.00 179.45 177.29 3jqj h ALA 130 N 1.94 1.46 0.12 0.07 0.00 -1.83 -2.77 119.26 118.25 3jqj h ALA 130 Ca 0.00 -0.15 -0.28 0.00 0.00 0.00 0.00 54.91 54.48 3jqj h ALA 130 Cb 0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3jqj h ALA 130 CO -0.00 0.20 -1.47 0.00 0.00 0.00 0.00 179.25 177.98 3jqj h ALA 131 N 1.84 0.20 -2.54 0.00 0.00 -1.29 -3.47 119.26 114.00 3jqj h ALA 131 Ca -0.00 -1.11 -0.11 0.00 0.00 0.00 0.00 54.91 53.69 3jqj h ALA 131 Cb 0.34 0.50 -0.28 0.00 0.00 0.00 0.00 17.79 18.36 3jqj h ALA 131 CO 0.02 0.86 -0.38 -1.12 0.00 0.00 0.00 179.25 178.64 3jqj s SER 132 N -7.04 -0.22 0.00 0.00 0.01 -1.05 -4.75 113.70 100.66 3jqj s SER 132 Ca -0.20 0.96 0.29 0.00 1.31 0.00 0.00 55.95 58.31 3jqj s SER 132 Cb 0.05 1.29 1.34 0.00 0.21 0.00 0.00 66.02 68.91 3jqj s SER 132 CO 0.76 -0.23 1.94 0.29 0.41 0.00 0.00 173.24 176.41 3jqj n LYS 133 N 5.36 0.50 -0.00 12.44 5.02 -1.20 -3.58 118.16 136.71 3jqj n LYS 133 Ca -0.09 -0.10 0.14 0.00 -2.02 0.00 0.00 58.31 56.24 3jqj n LYS 133 Cb 0.50 -1.50 0.55 0.00 -0.02 0.00 0.00 35.03 34.56 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 1.30 -0.07 3.62 0.72 0.00 -1.26 -4.94 105.19 104.57 3jqj n GLY 134 Ca 0.14 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 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 2.97 -4.24 0.99 4.77 -1.23 -4.98 117.00 115.37 3jqj n LEU 135 Ca 0.19 1.01 -0.30 0.00 -0.03 0.00 0.00 56.01 56.87 3jqj n LEU 135 Cb 0.34 -1.38 -0.16 0.00 -2.33 0.00 0.00 43.42 39.88 3jqj n LEU 135 CO 0.16 -1.44 -0.55 -0.69 -1.33 0.00 0.00 177.39 173.55 3jqj s VAL 136 N -1.31 1.92 -0.24 4.08 1.01 -1.20 -5.00 120.40 119.66 3jqj s VAL 136 Ca 0.65 -0.99 -0.17 0.00 0.00 0.00 0.00 61.98 61.46 3jqj s VAL 136 Cb -0.52 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 3jqj s VAL 136 CO 0.55 0.54 0.48 -0.63 0.00 0.00 0.00 175.10 176.04 3jqj s ILE 137 N -0.11 5.11 0.12 2.22 1.01 -1.26 -1.14 121.20 127.15 3jqj s ILE 137 Ca -0.04 0.82 0.06 0.00 0.00 0.00 0.00 60.65 61.49 3jqj s ILE 137 Cb -0.13 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 3jqj s ILE 137 CO 0.03 0.14 -0.14 -0.94 0.00 0.00 0.00 174.94 174.04 3jqj s SER 138 N 1.40 1.96 -1.16 3.58 1.04 0.51 -4.93 113.70 116.10 3jqj s SER 138 Ca 0.20 -0.82 -0.14 0.00 0.48 0.00 0.00 55.95 55.67 3jqj s SER 138 Cb -0.15 -0.06 -0.02 0.00 0.10 0.00 0.00 66.02 65.89 3jqj s SER 138 CO 0.09 -0.16 0.78 0.00 0.98 0.00 0.00 173.24 174.93 3jqj n GLN 139 N 0.49 -2.04 -2.75 4.02 1.13 -1.26 -1.24 117.38 115.73 3jqj n GLN 139 Ca -0.15 0.55 -0.43 0.00 -1.94 0.00 0.00 57.00 55.03 3jqj n GLN 139 Cb 0.57 -4.60 -0.03 0.00 0.11 0.00 0.00 30.24 26.29 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 -3.51 4.60 0.08 5.09 1.01 -1.26 -4.12 120.40 122.29 3jqj s VAL 140 Ca 0.38 1.51 -0.13 0.00 0.00 0.00 0.00 61.98 63.74 3jqj s VAL 140 Cb -0.12 -4.33 0.02 0.00 0.00 0.00 0.00 36.38 31.95 3jqj s VAL 140 CO 0.83 -0.43 0.30 0.00 0.00 0.00 0.00 175.10 175.81 3jqj s ARG 141 N 3.44 0.91 0.19 2.72 1.70 -0.30 -5.00 118.95 122.60 3jqj s ARG 141 Ca 0.41 -0.71 -0.25 0.00 -0.47 0.00 0.00 55.73 54.70 3jqj s ARG 141 Cb -0.13 0.39 -0.08 0.00 -0.57 0.00 0.00 34.95 34.56 3jqj s ARG 141 CO 0.15 -0.31 0.80 -1.17 -1.08 0.00 0.00 175.30 173.68 3jqj s LEU 142 N -2.56 4.55 -0.11 -1.89 2.96 -1.26 -1.09 118.68 119.29 3jqj s LEU 142 Ca 0.01 1.66 0.02 0.00 -0.22 0.00 0.00 54.13 55.60 3jqj s LEU 142 Cb 0.02 -3.41 -0.08 0.00 0.50 0.00 0.00 46.19 43.22 3jqj s LEU 142 CO -0.09 0.17 -0.07 0.18 -1.32 0.00 0.00 176.35 175.21 3jqj n LEU 143 N 1.41 2.44 -3.57 -0.68 4.77 0.18 -4.60 117.00 116.94 3jqj n LEU 143 Ca -0.04 -0.05 -0.14 0.00 -0.03 0.00 0.00 56.01 55.75 3jqj n LEU 143 Cb 0.49 -0.28 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 3jqj n LEU 143 CO 0.46 0.60 0.28 -2.28 -1.33 0.00 0.00 177.39 175.12 3jqj s HIS 144 N -2.22 -0.42 -0.28 -1.77 5.04 -0.81 -0.65 115.29 114.18 3jqj s HIS 144 Ca -0.13 0.45 -0.25 0.00 -1.54 0.00 0.00 55.06 53.59 3jqj s HIS 144 Cb 0.04 0.34 0.09 0.00 0.04 0.00 0.00 32.58 33.09 3jqj s HIS 144 CO 0.28 -0.65 0.85 -1.59 -2.34 0.00 0.00 174.74 171.29 3jqj s LYS 145 N -2.51 0.70 0.13 2.88 0.00 -0.86 0.47 119.74 120.54 3jqj s LYS 145 Ca -0.05 0.84 0.02 0.00 0.00 0.00 0.00 55.97 56.78 3jqj s LYS 145 Cb -0.01 0.33 -0.04 0.00 0.00 0.00 0.00 37.83 38.12 3jqj s LYS 145 CO -0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 175.35 175.20 3jqj s ALA 146 N 0.35 1.14 0.00 0.59 0.00 -0.61 -1.53 121.76 121.70 3jqj s ALA 146 Ca 0.01 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.53 3jqj s ALA 146 Cb -0.05 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.36 3jqj s ALA 146 CO -0.03 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.89 3jqj n GLY 147 N -0.12 0.67 0.00 0.00 0.00 -1.26 -2.61 105.19 101.88 3jqj n GLY 147 Ca -0.10 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 0.76 -0.32 0.33 -0.02 0.00 -1.26 -4.28 105.19 100.39 3jqj n GLY 148 Ca 0.00 -1.56 0.15 0.00 0.00 0.00 0.00 46.02 44.61 3jqj n GLY 148 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jqj h LYS 149 N 0.00 0.00 0.00 1.61 1.57 -1.99 -0.81 116.57 116.95 3jqj h LYS 149 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3jqj h LYS 149 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3jqj h LYS 149 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.75 3jqj n SER 150 N -4.18 0.00 0.00 0.86 3.41 -1.26 -4.98 113.62 107.48 3jqj n SER 150 Ca 0.02 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 3jqj n SER 150 Cb 0.32 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 0.48 0.97 3.76 5.00 0.00 -0.31 -4.83 105.19 110.27 3jqj n GLY 151 Ca 0.12 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 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 4.64 -0.04 1.61 2.56 -1.26 -4.06 118.70 122.14 3jqj s GLU 152 Ca 0.00 1.69 -0.04 0.00 0.00 0.00 0.00 54.97 56.63 3jqj s GLU 152 Cb 0.00 -3.13 0.01 0.00 2.00 0.00 0.00 34.13 33.02 3jqj s GLU 152 CO 0.00 0.24 0.11 -0.46 -0.56 0.00 0.00 175.26 174.59 3jqj s TRP 153 N -1.23 -0.12 -0.15 5.30 -0.00 -0.58 -5.02 118.94 117.14 3jqj s TRP 153 Ca 0.45 0.31 -0.10 0.00 -0.00 0.00 0.00 56.10 56.76 3jqj s TRP 153 Cb -0.29 0.02 0.05 0.00 -0.00 0.00 0.00 33.47 33.25 3jqj s TRP 153 CO 0.37 -0.07 0.37 0.50 -0.00 0.00 0.00 176.95 178.12 3jqj s ARG 154 N 0.21 0.37 0.00 5.86 3.52 -1.26 -2.03 118.95 125.62 3jqj s ARG 154 Ca -0.01 0.65 0.01 0.00 -0.13 0.00 0.00 55.73 56.24 3jqj s ARG 154 Cb -0.02 0.04 0.04 0.00 -1.56 0.00 0.00 34.95 33.45 3jqj s ARG 154 CO -0.01 -0.12 0.54 -2.13 -0.81 0.00 0.00 175.30 172.77