#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkj s ILE 2 N 0.00 0.72 0.00 -1.33 -4.36 -1.26 -4.91 121.20 110.06 1jkj s ILE 2 Ca 0.00 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.40 1jkj s ILE 2 Cb 0.00 -2.26 0.00 0.00 1.25 0.00 0.00 42.46 41.45 1jkj s ILE 2 CO 0.00 -0.36 0.00 0.18 0.24 0.00 0.00 174.94 175.00 1jkj n LEU 3 N -0.32 0.00 -4.19 0.37 4.77 -1.26 -4.70 117.00 111.67 1jkj n LEU 3 Ca -0.05 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.81 1jkj n LEU 3 Cb 0.64 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.63 1jkj n LEU 3 CO 0.35 0.00 -0.39 0.27 -1.33 0.00 0.00 177.39 176.28 1jkj s ILE 4 N 0.00 0.82 0.07 -0.08 -4.36 -1.26 -5.03 121.20 111.36 1jkj s ILE 4 Ca 0.00 -1.94 -0.02 0.00 -0.26 0.00 0.00 60.65 58.43 1jkj s ILE 4 Cb 0.00 -1.69 0.01 0.00 1.25 0.00 0.00 42.46 42.03 1jkj s ILE 4 CO 0.00 -0.82 0.13 -0.90 0.24 0.00 0.00 174.94 173.59 1jkj n ASP 5 N -0.03 -0.37 0.26 4.36 5.68 -1.26 -4.75 116.55 120.43 1jkj n ASP 5 Ca -0.12 -1.33 0.18 0.00 -0.50 0.00 0.00 54.79 53.02 1jkj n ASP 5 Cb 0.61 0.64 0.91 0.00 -1.14 0.00 0.00 41.12 42.14 1jkj n ASP 5 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1jkj h LYS 6 N 0.00 0.00 0.00 0.11 2.10 -1.94 -2.14 116.57 114.70 1jkj h LYS 6 Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1jkj h LYS 6 Cb 0.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 1jkj h LYS 6 CO 0.08 0.00 -0.60 0.09 -2.00 0.00 0.00 179.45 177.02 1jkj n ASN 7 N -3.58 0.68 -4.65 7.07 3.02 -1.26 -4.69 115.26 111.85 1jkj n ASN 7 Ca -0.00 0.11 -0.44 0.00 -0.03 0.00 0.00 54.58 54.22 1jkj n ASN 7 Cb 0.25 0.14 -0.03 0.00 -0.61 0.00 0.00 39.78 39.53 1jkj n ASN 7 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1jkj n THR 8 N -2.07 0.65 -3.46 3.41 -1.04 -0.81 -4.96 114.28 106.00 1jkj n THR 8 Ca 0.03 -0.19 -0.37 0.00 -2.04 0.00 0.00 64.05 61.48 1jkj n THR 8 Cb 0.43 -2.25 -0.07 0.00 -1.82 0.00 0.00 70.33 66.62 1jkj n THR 8 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1jkj s LYS 9 N 4.77 4.23 -0.04 -2.82 1.02 -1.26 -4.03 119.74 121.61 1jkj s LYS 9 Ca 0.93 0.24 0.05 0.00 0.02 0.00 0.00 55.97 57.21 1jkj s LYS 9 Cb -0.48 -3.40 -0.01 0.00 -0.52 0.00 0.00 37.83 33.42 1jkj s LYS 9 CO 0.43 0.27 -0.19 0.08 -0.92 0.00 0.00 175.35 175.02 1jkj s VAL 10 N 0.33 1.56 0.22 3.17 1.01 -0.32 -2.02 120.40 124.34 1jkj s VAL 10 Ca 0.20 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.48 1jkj s VAL 10 Cb -0.14 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1jkj s VAL 10 CO 0.07 0.45 -0.03 0.27 0.00 0.00 0.00 175.10 175.85 1jkj s ILE 11 N -0.04 3.44 -0.16 2.22 -4.36 -0.25 -0.28 121.20 121.77 1jkj s ILE 11 Ca -0.03 -1.71 0.01 0.00 -0.26 0.00 0.00 60.65 58.66 1jkj s ILE 11 Cb -0.12 -2.77 0.01 0.00 1.25 0.00 0.00 42.46 40.83 1jkj s ILE 11 CO 0.02 -0.23 -0.18 0.00 0.24 0.00 0.00 174.94 174.79 1jkj s GLN 13 N 0.95 4.31 0.00 0.00 -0.21 0.83 0.22 119.66 125.76 1jkj s GLN 13 Ca -0.03 0.66 0.00 0.00 0.02 0.00 0.00 55.36 56.00 1jkj s GLN 13 Cb -0.15 -3.50 0.00 0.00 1.00 0.00 0.00 33.01 30.36 1jkj s GLN 13 CO -0.04 -0.05 0.00 0.41 -2.12 0.00 0.00 175.29 173.49 1jkj n GLY 14 N 3.46 0.60 0.37 3.09 0.00 -0.19 -1.14 105.19 111.38 1jkj n GLY 14 Ca -0.03 -0.65 0.19 0.00 0.00 0.00 0.00 46.02 45.53 1jkj n GLY 14 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jkj h PHE 15 N 0.00 0.90 -0.08 1.61 3.57 -1.62 -1.29 116.94 120.03 1jkj h PHE 15 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1jkj h PHE 15 Cb 0.00 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.48 1jkj h PHE 15 CO 0.00 0.09 0.00 0.25 -2.23 0.00 0.00 178.31 176.42 1jkj n THR 16 N -4.78 0.09 -2.06 4.41 -2.24 -1.26 -2.19 114.28 106.25 1jkj n THR 16 Ca 0.26 -0.24 -0.28 0.00 -2.27 0.00 0.00 64.05 61.52 1jkj n THR 16 Cb 0.77 0.25 0.12 0.00 -2.10 0.00 0.00 70.33 69.37 1jkj n THR 16 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1jkj s GLY 17 N -1.76 1.70 0.09 3.38 0.00 -0.49 -4.77 107.32 105.49 1jkj s GLY 17 Ca 0.35 -1.04 -0.34 0.00 0.00 0.00 0.00 44.72 43.70 1jkj s GLY 17 CO 0.29 -0.46 1.58 1.76 0.00 0.00 0.00 173.10 176.27 1jkj h SER 18 N -1.10 -1.29 0.02 1.64 0.02 -1.90 0.32 113.55 111.25 1jkj h SER 18 Ca -0.44 0.12 -0.15 0.00 -0.84 0.00 0.00 61.79 60.47 1jkj h SER 18 Cb 1.28 0.45 -0.01 0.00 0.14 0.00 0.00 62.40 64.26 1jkj h SER 18 CO 0.52 -0.59 -0.52 1.56 -1.14 0.00 0.00 176.83 176.65 1jkj h GLN 19 N -0.86 0.55 -0.58 3.45 1.08 -1.91 -0.52 115.11 116.31 1jkj h GLN 19 Ca -0.03 -0.33 -0.02 0.00 -1.45 0.00 0.00 58.65 56.81 1jkj h GLN 19 Cb 0.79 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.22 1jkj h GLN 19 CO -0.12 0.94 0.27 0.78 -0.95 0.00 0.00 178.83 179.75 1jkj h GLY 20 N 1.07 0.91 0.82 3.46 0.00 -1.66 0.29 103.07 107.96 1jkj h GLY 20 Ca 0.01 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 1jkj h GLY 20 CO 0.10 0.43 -0.30 -0.84 0.00 0.00 0.00 176.54 175.93 1jkj h THR 21 N 0.79 0.28 -0.04 4.70 2.02 0.14 -1.41 112.91 119.40 1jkj h THR 21 Ca 0.20 -0.26 0.04 0.00 0.77 0.00 0.00 66.41 67.16 1jkj h THR 21 Cb 0.13 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 66.85 1jkj h THR 21 CO -0.02 0.03 -0.27 0.15 0.37 0.00 0.00 175.52 175.77 1jkj h PHE 22 N -1.03 -0.73 0.00 3.16 3.57 -1.01 -1.05 116.94 119.85 1jkj h PHE 22 Ca -0.09 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.41 1jkj h PHE 22 Cb 0.69 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 1jkj h PHE 22 CO -0.00 -0.36 -0.17 0.45 -2.23 0.00 0.00 178.31 176.00 1jkj h HIS 23 N -0.39 0.00 -0.24 0.41 3.86 -1.02 -2.57 115.15 115.20 1jkj h HIS 23 Ca 0.07 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.13 1jkj h HIS 23 Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 1jkj h HIS 23 CO -0.32 0.17 -0.46 0.77 0.86 0.00 0.00 177.93 178.96 1jkj h SER 24 N 0.00 0.82 -0.85 2.45 0.02 -0.69 -0.80 113.55 114.50 1jkj h SER 24 Ca -0.00 -0.54 0.06 0.00 -0.84 0.00 0.00 61.79 60.47 1jkj h SER 24 Cb 0.72 -0.24 -0.06 0.00 0.14 0.00 0.00 62.40 62.96 1jkj h SER 24 CO 0.02 1.21 0.53 -0.33 -1.14 0.00 0.00 176.83 177.12 1jkj h GLU 25 N 0.47 0.95 -0.31 3.45 5.08 -0.93 0.35 114.58 123.64 1jkj h GLU 25 Ca 0.01 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1jkj h GLU 25 Cb 1.06 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1jkj h GLU 25 CO 0.10 0.63 0.18 1.96 -1.00 0.00 0.00 179.01 180.88 1jkj h GLN 26 N 0.97 0.42 -0.70 2.33 1.08 -1.28 0.44 115.11 118.37 1jkj h GLN 26 Ca 0.37 -0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 57.46 1jkj h GLN 26 Cb 0.15 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.47 1jkj h GLN 26 CO -0.17 0.32 0.18 0.00 -0.95 0.00 0.00 178.83 178.21 1jkj h ALA 27 N 1.07 0.92 -0.27 3.87 0.00 -0.09 -1.65 119.26 123.10 1jkj h ALA 27 Ca 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1jkj h ALA 27 Cb 0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1jkj h ALA 27 CO -0.02 0.63 0.09 0.82 0.00 0.00 0.00 179.25 180.77 1jkj h ILE 28 N 1.04 1.19 -0.07 0.00 2.04 -0.05 -0.38 117.51 121.29 1jkj h ILE 28 Ca 0.22 -0.61 0.02 0.00 1.00 0.00 0.00 64.86 65.49 1jkj h ILE 28 Cb 0.36 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1jkj h ILE 28 CO 0.00 0.20 0.05 0.00 0.00 0.00 0.00 178.15 178.40 1jkj h ALA 29 N 0.92 2.05 0.00 1.87 0.00 -0.68 0.12 119.26 123.54 1jkj h ALA 29 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1jkj h ALA 29 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1jkj h ALA 29 CO -0.00 -0.07 0.00 0.98 0.00 0.00 0.00 179.25 180.16 1jkj n TYR 30 N -4.52 0.73 0.00 0.00 9.36 -0.64 -4.89 117.16 117.20 1jkj n TYR 30 Ca -0.01 0.23 0.00 0.00 3.32 0.00 0.00 57.90 61.43 1jkj n TYR 30 Cb 0.15 -0.87 0.00 0.00 -0.63 0.00 0.00 39.34 37.99 1jkj n TYR 30 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1jkj n GLY 31 N 1.05 0.71 3.75 2.98 0.00 0.41 -4.91 105.19 109.19 1jkj n GLY 31 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1jkj n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jkj s THR 32 N -2.00 2.43 -1.26 2.61 2.01 -0.20 -4.86 115.64 114.37 1jkj s THR 32 Ca 0.00 0.37 -0.17 0.00 0.31 0.00 0.00 61.69 62.20 1jkj s THR 32 Cb 0.00 -3.24 -0.01 0.00 0.01 0.00 0.00 72.50 69.27 1jkj s THR 32 CO 0.00 0.06 2.07 0.29 -0.69 0.00 0.00 174.62 176.36 1jkj n LYS 33 N 1.98 2.52 -2.33 4.92 5.02 -1.26 -4.49 118.16 124.53 1jkj n LYS 33 Ca 0.06 -2.52 -0.42 0.00 -2.02 0.00 0.00 58.31 53.41 1jkj n LYS 33 Cb 0.39 -3.26 -0.03 0.00 -0.02 0.00 0.00 35.03 32.12 1jkj n LYS 33 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1jkj s MET 34 N 3.94 4.35 0.00 1.97 -1.94 -1.26 -1.18 119.30 125.18 1jkj s MET 34 Ca 0.52 1.85 0.06 0.00 -1.71 0.00 0.00 55.69 56.41 1jkj s MET 34 Cb 0.12 -3.46 -0.00 0.00 2.01 0.00 0.00 34.83 33.50 1jkj s MET 34 CO -0.00 -0.43 0.47 1.33 -0.01 0.00 0.00 175.02 176.37 1jkj n VAL 35 N 4.33 0.00 0.00 -6.03 0.24 0.61 -4.89 118.33 112.59 1jkj n VAL 35 Ca 0.11 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 1jkj n VAL 35 Cb 0.45 1.07 0.00 0.00 -1.47 0.00 0.00 33.84 33.88 1jkj n VAL 35 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jkj n GLY 36 N 0.73 0.05 3.19 7.63 0.00 -1.23 -4.28 105.19 111.29 1jkj n GLY 36 Ca 0.02 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 1jkj n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jkj s GLY 37 N 0.00 0.85 -0.13 -0.02 0.00 -0.21 -0.02 107.32 107.79 1jkj s GLY 37 Ca 0.00 -1.33 0.02 0.00 0.00 0.00 0.00 44.72 43.42 1jkj s GLY 37 CO 0.00 -1.24 -0.19 0.14 0.00 0.00 0.00 173.10 171.81 1jkj s VAL 38 N -4.03 1.84 -0.24 1.40 1.01 0.13 0.85 120.40 121.37 1jkj s VAL 38 Ca 0.22 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 1jkj s VAL 38 Cb 0.06 -1.65 0.11 0.00 0.00 0.00 0.00 36.38 34.91 1jkj s VAL 38 CO 0.01 0.51 0.24 -0.89 0.00 0.00 0.00 175.10 174.97 1jkj s THR 39 N 0.91 -0.33 0.12 3.92 2.01 -0.30 -1.02 115.64 120.95 1jkj s THR 39 Ca -0.06 -0.29 -0.35 0.00 0.31 0.00 0.00 61.69 61.30 1jkj s THR 39 Cb -0.15 -0.81 -0.16 0.00 0.01 0.00 0.00 72.50 71.39 1jkj s THR 39 CO -0.02 -0.33 1.30 -2.65 -0.69 0.00 0.00 174.62 172.22 1jkj n PRO 40 N 5.31 1.25 0.00 4.92 -0.02 -1.25 -0.62 135.00 144.59 1jkj n PRO 40 Ca -0.04 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1jkj n PRO 40 Cb 0.48 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1jkj n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jkj n GLY 41 N 2.40 1.35 0.40 -1.23 0.00 -1.26 -4.87 105.19 101.98 1jkj n GLY 41 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 1jkj n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jkj n LYS 42 N -2.00 1.20 -2.01 1.61 5.02 0.21 -5.04 118.16 117.16 1jkj n LYS 42 Ca 0.00 -2.68 -0.40 0.00 -2.02 0.00 0.00 58.31 53.21 1jkj n LYS 42 Cb 0.00 -1.36 -0.00 0.00 -0.02 0.00 0.00 35.03 33.65 1jkj n LYS 42 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1jkj s GLY 43 N -2.80 2.93 0.00 0.72 0.00 -1.25 -2.84 107.32 104.08 1jkj s GLY 43 Ca 0.32 1.28 0.00 0.00 0.00 0.00 0.00 44.72 46.32 1jkj s GLY 43 CO -0.02 1.88 0.00 0.61 0.00 0.00 0.00 173.10 175.57 1jkj n GLY 44 N 0.65 0.81 3.98 0.20 0.00 0.18 -4.84 105.19 106.17 1jkj n GLY 44 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 1jkj n GLY 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jkj s THR 45 N -3.22 2.20 0.11 2.61 -4.23 -1.13 -4.92 115.64 107.05 1jkj s THR 45 Ca 0.00 -1.17 0.05 0.00 -1.18 0.00 0.00 61.69 59.40 1jkj s THR 45 Cb 0.00 -2.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.44 1jkj s THR 45 CO 0.00 0.00 -0.14 0.42 -0.54 0.00 0.00 174.62 174.36 1jkj s THR 46 N -2.63 1.25 -0.20 3.99 -4.23 -1.26 -0.47 115.64 112.10 1jkj s THR 46 Ca 0.52 -1.65 -0.12 0.00 -1.18 0.00 0.00 61.69 59.26 1jkj s THR 46 Cb -0.05 -1.45 0.06 0.00 1.34 0.00 0.00 72.50 72.40 1jkj s THR 46 CO 0.32 -0.41 0.49 -2.28 -0.54 0.00 0.00 174.62 172.21 1jkj s HIS 47 N -2.06 -0.70 -1.57 3.99 5.04 0.15 -4.81 115.29 115.33 1jkj s HIS 47 Ca 0.07 1.49 -0.02 0.00 -1.54 0.00 0.00 55.06 55.06 1jkj s HIS 47 Cb -0.05 0.34 0.01 0.00 0.04 0.00 0.00 32.58 32.91 1jkj s HIS 47 CO 0.02 -0.37 0.21 1.28 -2.34 0.00 0.00 174.74 173.54 1jkj n LEU 48 N 4.02 -2.00 -1.20 8.88 4.77 -1.26 -0.80 117.00 129.41 1jkj n LEU 48 Ca -0.21 -0.09 -0.15 0.00 -0.03 0.00 0.00 56.01 55.54 1jkj n LEU 48 Cb 0.56 -2.77 -0.06 0.00 -2.33 0.00 0.00 43.42 38.82 1jkj n LEU 48 CO 0.06 -0.05 -0.15 0.61 -1.33 0.00 0.00 177.39 176.54 1jkj n GLY 49 N -1.14 1.38 3.38 -0.72 0.00 -1.26 -4.99 105.19 101.84 1jkj n GLY 49 Ca -0.18 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 1jkj n GLY 49 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jkj s LEU 50 N -3.48 2.51 0.42 0.99 1.43 0.02 -5.08 118.68 115.49 1jkj s LEU 50 Ca 0.00 -0.95 -0.23 0.00 -1.03 0.00 0.00 54.13 51.92 1jkj s LEU 50 Cb 0.00 -0.89 -0.09 0.00 0.03 0.00 0.00 46.19 45.24 1jkj s LEU 50 CO 0.00 -0.04 1.04 -2.16 0.23 0.00 0.00 176.35 175.42 1jkj s PRO 51 N -3.20 4.08 -0.14 1.29 0.04 -1.26 -0.68 135.00 135.14 1jkj s PRO 51 Ca 0.22 1.44 -0.02 0.00 0.04 0.00 0.00 61.00 62.67 1jkj s PRO 51 Cb -0.04 -2.40 -0.02 0.00 0.04 0.00 0.00 34.50 32.07 1jkj s PRO 51 CO 0.09 -0.20 -0.06 0.08 0.04 0.00 0.00 177.00 176.95 1jkj s VAL 52 N -1.78 3.67 0.10 -0.36 1.01 0.39 -1.04 120.40 122.37 1jkj s VAL 52 Ca 0.60 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 62.21 1jkj s VAL 52 Cb -0.19 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1jkj s VAL 52 CO 0.24 0.51 -0.09 -0.36 0.00 0.00 0.00 175.10 175.41 1jkj s PHE 53 N 0.24 2.77 0.16 5.22 0.08 0.25 0.51 117.98 127.22 1jkj s PHE 53 Ca -0.04 -0.14 0.15 0.00 0.12 0.00 0.00 56.93 57.02 1jkj s PHE 53 Cb -0.14 -1.45 0.48 0.00 -0.57 0.00 0.00 43.02 41.33 1jkj s PHE 53 CO 0.04 0.43 1.65 -0.91 -0.10 0.00 0.00 175.22 176.32 1jkj h ASN 54 N 3.65 0.00 -5.03 1.36 2.35 -1.86 -0.78 115.58 115.28 1jkj h ASN 54 Ca -0.49 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.11 1jkj h ASN 54 Cb 1.17 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.39 1jkj h ASN 54 CO 0.53 0.49 -0.68 0.42 -1.65 0.00 0.00 177.43 176.54 1jkj s THR 55 N -3.50 0.38 0.27 2.81 -4.23 -1.26 -3.84 115.64 106.27 1jkj s THR 55 Ca 0.00 -1.86 0.05 0.00 -1.18 0.00 0.00 61.69 58.70 1jkj s THR 55 Cb 0.11 -1.60 0.01 0.00 1.34 0.00 0.00 72.50 72.36 1jkj s THR 55 CO 0.72 -0.94 1.65 0.58 -0.54 0.00 0.00 174.62 176.09 1jkj h VAL 56 N 3.08 1.33 -0.54 2.29 2.07 -1.91 -2.17 116.25 120.40 1jkj h VAL 56 Ca -0.34 -1.65 -0.04 0.00 0.82 0.00 0.00 66.70 65.49 1jkj h VAL 56 Cb 1.15 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 1jkj h VAL 56 CO 0.65 0.49 0.18 0.03 0.02 0.00 0.00 177.57 178.95 1jkj h ARG 57 N 0.24 0.83 -0.25 1.57 3.08 -1.89 0.21 114.38 118.17 1jkj h ARG 57 Ca 0.02 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 59.91 1jkj h ARG 57 Cb 0.91 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 1jkj h ARG 57 CO 0.07 0.75 0.13 0.93 -1.07 0.00 0.00 179.97 180.79 1jkj h GLU 58 N 0.74 0.26 -0.55 0.04 5.08 -1.93 -1.02 114.58 117.21 1jkj h GLU 58 Ca 0.17 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.58 1jkj h GLU 58 Cb 0.26 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 1jkj h GLU 58 CO -0.01 0.18 0.25 0.00 -1.00 0.00 0.00 179.01 178.43 1jkj h ALA 59 N 1.12 0.71 -0.52 3.43 0.00 -0.73 0.03 119.26 123.30 1jkj h ALA 59 Ca 0.10 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1jkj h ALA 59 Cb 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1jkj h ALA 59 CO -0.06 -0.12 -0.03 0.28 0.00 0.00 0.00 179.25 179.32 1jkj h VAL 60 N 0.48 1.26 -0.35 0.00 2.07 -0.25 -0.87 116.25 118.58 1jkj h VAL 60 Ca 0.26 -1.11 -0.11 0.00 0.82 0.00 0.00 66.70 66.56 1jkj h VAL 60 Cb 0.22 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1jkj h VAL 60 CO -0.21 0.39 -0.19 0.00 0.02 0.00 0.00 177.57 177.58 1jkj h ALA 61 N 1.13 0.50 0.00 1.67 0.00 -0.68 0.21 119.26 122.10 1jkj h ALA 61 Ca 0.15 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1jkj h ALA 61 Cb 0.53 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1jkj h ALA 61 CO 0.03 0.44 -0.37 0.00 0.00 0.00 0.00 179.25 179.35 1jkj h ALA 62 N 0.78 0.90 0.00 0.00 0.00 -0.84 -3.39 119.26 116.71 1jkj h ALA 62 Ca 0.08 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1jkj h ALA 62 Cb 0.74 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1jkj h ALA 62 CO 0.06 0.46 -0.63 0.25 0.00 0.00 0.00 179.25 179.39 1jkj n THR 63 N -3.40 0.00 -1.01 0.00 -2.24 -0.35 -5.02 114.28 102.26 1jkj n THR 63 Ca 0.01 -0.06 -0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1jkj n THR 63 Cb 0.56 0.49 -0.00 0.00 -2.10 0.00 0.00 70.33 69.27 1jkj n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jkj n GLY 64 N 1.71 0.39 3.71 3.38 0.00 0.72 -4.96 105.19 110.13 1jkj n GLY 64 Ca 0.00 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1jkj n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jkj n ALA 65 N 1.01 1.40 0.25 4.61 0.00 -1.26 -4.90 120.51 121.61 1jkj n ALA 65 Ca -0.00 0.27 0.03 0.00 0.00 0.00 0.00 53.44 53.73 1jkj n ALA 65 Cb 0.14 -2.28 -0.01 0.00 0.00 0.00 0.00 19.45 17.30 1jkj n ALA 65 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jkj n THR 66 N -0.17 0.00 -4.36 0.00 -2.24 -0.86 -4.84 114.28 101.82 1jkj n THR 66 Ca 0.06 -0.43 -0.20 0.00 -2.27 0.00 0.00 64.05 61.21 1jkj n THR 66 Cb 0.40 1.05 -0.13 0.00 -2.10 0.00 0.00 70.33 69.55 1jkj n THR 66 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jkj s ALA 67 N -1.05 1.19 -0.01 6.98 0.00 -0.99 -1.39 121.76 126.48 1jkj s ALA 67 Ca 0.04 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.19 1jkj s ALA 67 Cb 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 23.12 22.98 1jkj s ALA 67 CO 0.15 0.22 -0.09 0.45 0.00 0.00 0.00 175.76 176.50 1jkj s SER 68 N -1.16 1.09 -0.14 0.00 0.15 0.11 -1.09 113.70 112.66 1jkj s SER 68 Ca 0.02 -0.17 -0.01 0.00 0.70 0.00 0.00 55.95 56.49 1jkj s SER 68 Cb -0.08 -0.17 -0.02 0.00 -1.71 0.00 0.00 66.02 64.04 1jkj s SER 68 CO 0.01 0.10 -0.11 0.54 1.20 0.00 0.00 173.24 174.98 1jkj s VAL 69 N -0.09 3.17 -0.23 4.45 0.11 -0.42 0.58 120.40 127.96 1jkj s VAL 69 Ca 0.02 -0.61 -0.06 0.00 -2.93 0.00 0.00 61.98 58.39 1jkj s VAL 69 Cb -0.05 -2.35 -0.02 0.00 -1.53 0.00 0.00 36.38 32.43 1jkj s VAL 69 CO -0.00 0.51 0.03 -0.63 -3.33 0.00 0.00 175.10 171.68 1jkj s ILE 70 N 0.46 4.02 -0.38 7.04 1.01 0.12 -0.12 121.20 133.36 1jkj s ILE 70 Ca -0.08 -0.27 0.09 0.00 0.00 0.00 0.00 60.65 60.38 1jkj s ILE 70 Cb -0.15 -2.86 0.44 0.00 0.01 0.00 0.00 42.46 39.90 1jkj s ILE 70 CO 0.04 0.38 1.10 -1.22 0.00 0.00 0.00 174.94 175.24 1jkj n TYR 71 N 4.76 2.72 -4.08 3.97 4.01 -0.29 -1.24 117.16 127.00 1jkj n TYR 71 Ca -0.17 -2.82 -0.36 0.00 -0.16 0.00 0.00 57.90 54.40 1jkj n TYR 71 Cb 0.51 -0.20 -0.08 0.00 -0.31 0.00 0.00 39.34 39.27 1jkj n TYR 71 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1jkj s VAL 72 N -4.79 4.91 0.47 -0.72 1.01 -1.26 -4.62 120.40 115.40 1jkj s VAL 72 Ca 0.43 -0.01 -0.23 0.00 0.00 0.00 0.00 61.98 62.18 1jkj s VAL 72 Cb 0.41 -3.13 -0.09 0.00 0.00 0.00 0.00 36.38 33.56 1jkj s VAL 72 CO -0.09 0.57 0.98 -2.65 0.00 0.00 0.00 175.10 173.91 1jkj n PRO 73 N 2.44 1.22 -0.33 2.72 -0.02 -1.26 -4.64 135.00 135.12 1jkj n PRO 73 Ca -0.19 0.44 0.22 0.00 -2.02 0.00 0.00 63.50 61.96 1jkj n PRO 73 Cb 0.54 -2.06 0.44 0.00 -0.02 0.00 0.00 33.50 32.39 1jkj n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jkj h ALA 74 N 1.23 1.80 -0.06 3.55 0.00 -1.89 -0.83 119.26 123.08 1jkj h ALA 74 Ca -0.46 0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1jkj h ALA 74 Cb 1.35 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 1jkj h ALA 74 CO 0.55 -0.57 0.10 -1.35 0.00 0.00 0.00 179.25 177.97 1jkj h PRO 75 N 0.27 0.00 -0.21 0.00 0.11 -1.89 -2.24 132.00 128.04 1jkj h PRO 75 Ca 0.70 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.81 1jkj h PRO 75 Cb 1.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.69 1jkj h PRO 75 CO -0.64 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.34 1jkj n PHE 76 N -3.50 0.27 -0.02 0.65 3.72 -0.33 -4.73 117.46 113.52 1jkj n PHE 76 Ca -0.01 -0.39 -0.12 0.00 -0.05 0.00 0.00 57.45 56.88 1jkj n PHE 76 Cb 0.19 -0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 38.64 1jkj n PHE 76 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jkj h LYS 78 N -0.03 0.47 -0.43 0.00 3.64 -1.85 0.37 116.57 118.74 1jkj h LYS 78 Ca 0.03 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1jkj h LYS 78 Cb 0.22 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1jkj h LYS 78 CO -0.00 0.31 0.22 0.22 -2.27 0.00 0.00 179.45 177.92 1jkj h ASP 79 N 0.48 0.55 -0.35 4.20 3.58 -1.80 -0.97 116.42 122.10 1jkj h ASP 79 Ca 0.40 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.72 1jkj h ASP 79 Cb 0.56 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 1jkj h ASP 79 CO -0.37 0.50 0.18 0.28 -2.88 0.00 0.00 179.24 176.95 1jkj h SER 80 N 0.55 0.45 -0.46 2.28 0.02 0.73 0.26 113.55 117.39 1jkj h SER 80 Ca 0.15 -0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 1jkj h SER 80 Cb 0.09 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1jkj h SER 80 CO -0.02 0.44 0.01 0.40 -1.14 0.00 0.00 176.83 176.52 1jkj h ILE 81 N 0.44 1.26 -0.21 3.27 2.04 -0.22 -1.34 117.51 122.75 1jkj h ILE 81 Ca 0.12 -1.04 -0.13 0.00 1.00 0.00 0.00 64.86 64.82 1jkj h ILE 81 Cb 0.10 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1jkj h ILE 81 CO -0.02 0.36 -0.40 -0.07 0.00 0.00 0.00 178.15 178.03 1jkj h LEU 82 N 0.66 0.52 -0.51 1.44 3.38 -1.11 -0.61 115.31 119.07 1jkj h LEU 82 Ca 0.13 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1jkj h LEU 82 Cb 0.49 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1jkj h LEU 82 CO 0.02 0.86 0.25 -0.08 0.09 0.00 0.00 178.44 179.58 1jkj h GLU 83 N 0.41 0.74 -0.38 1.13 4.81 -0.61 -0.77 114.58 119.90 1jkj h GLU 83 Ca 0.04 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1jkj h GLU 83 Cb 0.87 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 1jkj h GLU 83 CO 0.07 0.61 0.19 0.00 -0.73 0.00 0.00 179.01 179.15 1jkj h ALA 84 N 1.09 0.49 -0.94 2.92 0.00 -0.86 0.33 119.26 122.29 1jkj h ALA 84 Ca 0.18 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1jkj h ALA 84 Cb 0.11 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1jkj h ALA 84 CO -0.02 0.04 0.62 0.82 0.00 0.00 0.00 179.25 180.70 1jkj h ILE 85 N 0.48 1.18 0.00 0.00 2.04 -0.93 -1.16 117.51 119.11 1jkj h ILE 85 Ca 0.13 -0.41 -0.10 0.00 1.00 0.00 0.00 64.86 65.48 1jkj h ILE 85 Cb 0.10 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.03 1jkj h ILE 85 CO -0.02 0.22 -0.46 -0.78 0.00 0.00 0.00 178.15 177.11 1jkj h ASP 86 N 1.21 0.00 -0.08 1.72 3.58 -0.45 -2.73 116.42 119.66 1jkj h ASP 86 Ca 0.37 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.82 1jkj h ASP 86 Cb -0.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.02 1jkj h ASP 86 CO -0.11 0.46 0.00 0.00 -2.88 0.00 0.00 179.24 176.71 1jkj n ALA 87 N -2.37 2.56 -0.12 -0.78 0.00 0.04 -4.90 120.51 114.93 1jkj n ALA 87 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1jkj n ALA 87 Cb 0.53 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1jkj n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jkj n GLY 88 N 0.92 0.79 3.65 0.00 0.00 -1.03 -4.82 105.19 104.70 1jkj n GLY 88 Ca 0.14 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.70 1jkj n GLY 88 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1jkj n ILE 89 N -2.00 0.72 0.43 -0.61 2.08 -0.94 -4.89 119.36 114.15 1jkj n ILE 89 Ca 0.00 -0.18 0.10 0.00 0.56 0.00 0.00 62.75 63.23 1jkj n ILE 89 Cb 0.00 -1.33 -0.14 0.00 -0.75 0.00 0.00 39.64 37.42 1jkj n ILE 89 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1jkj n LYS 90 N 2.24 0.47 -3.68 0.38 4.76 -0.49 -4.60 118.16 117.24 1jkj n LYS 90 Ca 0.13 -0.10 -0.18 0.00 -2.87 0.00 0.00 58.31 55.29 1jkj n LYS 90 Cb 0.29 -1.48 -0.17 0.00 -1.84 0.00 0.00 35.03 31.83 1jkj n LYS 90 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1jkj s LEU 91 N -3.78 0.18 -0.05 -0.35 2.96 -0.83 -1.00 118.68 115.81 1jkj s LEU 91 Ca -0.01 0.17 0.06 0.00 -0.22 0.00 0.00 54.13 54.14 1jkj s LEU 91 Cb 0.14 0.03 -0.01 0.00 0.50 0.00 0.00 46.19 46.86 1jkj s LEU 91 CO 0.86 -0.23 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.78 1jkj s ILE 92 N 2.06 1.97 -0.24 6.68 1.01 0.53 0.08 121.20 133.29 1jkj s ILE 92 Ca 0.02 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 59.67 1jkj s ILE 92 Cb -0.12 -1.67 0.05 0.00 0.01 0.00 0.00 42.46 40.74 1jkj s ILE 92 CO -0.04 0.55 -0.12 -0.63 0.00 0.00 0.00 174.94 174.70 1jkj s ILE 93 N -0.17 2.07 -0.37 2.92 -1.09 0.20 -0.29 121.20 124.46 1jkj s ILE 93 Ca -0.03 -1.46 -0.11 0.00 -2.23 0.00 0.00 60.65 56.82 1jkj s ILE 93 Cb -0.13 -2.14 0.02 0.00 -1.58 0.00 0.00 42.46 38.63 1jkj s ILE 93 CO 0.03 0.07 0.21 -0.89 -1.23 0.00 0.00 174.94 173.13 1jkj s THR 94 N 1.17 4.65 0.09 2.92 2.01 0.13 0.13 115.64 126.74 1jkj s THR 94 Ca -0.06 -0.81 -0.04 0.00 0.31 0.00 0.00 61.69 61.09 1jkj s THR 94 Cb -0.19 -3.58 -0.26 0.00 0.01 0.00 0.00 72.50 68.48 1jkj s THR 94 CO -0.07 -0.22 1.18 0.40 -0.69 0.00 0.00 174.62 175.22 1jkj h ILE 95 N 5.83 1.49 -0.86 1.82 1.08 -1.38 -3.09 117.51 122.40 1jkj h ILE 95 Ca -0.26 -2.96 -0.67 0.00 -0.39 0.00 0.00 64.86 60.58 1jkj h ILE 95 Cb 1.11 2.85 0.05 0.00 -3.07 0.00 0.00 36.82 37.75 1jkj h ILE 95 CO 0.67 0.87 -0.00 0.41 -0.69 0.00 0.00 178.15 179.40 1jkj n THR 96 N -3.57 0.19 -4.15 -0.27 -1.04 -1.22 -2.89 114.28 101.34 1jkj n THR 96 Ca -0.08 -0.05 -0.31 0.00 -2.04 0.00 0.00 64.05 61.57 1jkj n THR 96 Cb 0.98 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 69.42 1jkj n THR 96 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1jkj s GLU 97 N -0.10 2.79 0.00 -2.82 -6.30 -1.26 -0.01 118.70 111.01 1jkj s GLU 97 Ca 0.76 -0.68 0.00 0.00 -2.50 0.00 0.00 54.97 52.55 1jkj s GLU 97 Cb -1.06 -2.68 0.00 0.00 0.00 0.00 0.00 34.13 30.39 1jkj s GLU 97 CO 0.49 0.59 0.00 0.41 0.02 0.00 0.00 175.26 176.77 1jkj n GLY 98 N 0.86 0.67 3.72 -1.50 0.00 -1.26 -4.44 105.19 103.25 1jkj n GLY 98 Ca -0.11 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 1jkj n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jkj s ILE 99 N -2.00 3.48 0.29 -0.61 1.01 -1.26 -4.84 121.20 117.27 1jkj s ILE 99 Ca 0.00 1.12 -0.29 0.00 0.00 0.00 0.00 60.65 61.49 1jkj s ILE 99 Cb 0.00 -3.72 -0.13 0.00 0.01 0.00 0.00 42.46 38.62 1jkj s ILE 99 CO 0.00 0.12 1.16 -2.65 0.00 0.00 0.00 174.94 173.57 1jkj n PRO 100 N 3.41 1.68 -0.21 2.79 -0.02 -1.26 -4.84 135.00 136.55 1jkj n PRO 100 Ca 0.09 0.59 -0.01 0.00 -2.02 0.00 0.00 63.50 62.14 1jkj n PRO 100 Cb 0.44 -2.07 0.10 0.00 -0.02 0.00 0.00 33.50 31.94 1jkj n PRO 100 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1jkj h THR 101 N 2.33 0.88 0.00 3.45 2.02 -1.99 -1.71 112.91 117.89 1jkj h THR 101 Ca -0.43 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.54 1jkj h THR 101 Cb 1.31 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1jkj h THR 101 CO 0.63 0.10 -0.16 -0.07 0.37 0.00 0.00 175.52 176.39 1jkj h LEU 102 N 0.53 0.00 -0.18 2.58 3.38 -1.99 0.12 115.31 119.75 1jkj h LEU 102 Ca 0.29 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.19 1jkj h LEU 102 Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1jkj h LEU 102 CO -0.23 0.16 -0.16 0.44 0.09 0.00 0.00 178.44 178.73 1jkj h ASP 103 N 0.00 0.46 0.37 -0.43 5.19 -1.69 -2.58 116.42 117.75 1jkj h ASP 103 Ca -0.00 -0.47 -0.04 0.00 -0.62 0.00 0.00 57.03 55.90 1jkj h ASP 103 Cb 0.29 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 1jkj h ASP 103 CO 0.02 0.83 -0.21 0.24 -3.12 0.00 0.00 179.24 177.00 1jkj h MET 104 N 0.09 0.00 -0.17 3.56 2.86 -0.78 0.37 114.93 120.87 1jkj h MET 104 Ca 0.03 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1jkj h MET 104 Cb 0.70 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 1jkj h MET 104 CO 0.04 0.21 0.09 1.25 1.06 0.00 0.00 176.91 179.56 1jkj h LEU 105 N 0.00 0.21 -0.17 1.22 6.46 -0.61 0.91 115.31 123.33 1jkj h LEU 105 Ca -0.00 -0.10 -0.07 0.00 -0.12 0.00 0.00 57.88 57.59 1jkj h LEU 105 Cb 0.45 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.32 1jkj h LEU 105 CO 0.03 0.25 -0.16 0.74 -0.62 0.00 0.00 178.44 178.68 1jkj h THR 106 N 0.16 1.34 -0.92 1.05 2.02 -1.04 -2.83 112.91 112.69 1jkj h THR 106 Ca 0.06 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 65.93 1jkj h THR 106 Cb 0.09 1.81 -0.04 0.00 -1.74 0.00 0.00 68.15 68.26 1jkj h THR 106 CO -0.01 0.39 0.58 0.58 0.37 0.00 0.00 175.52 177.43 1jkj h VAL 107 N 0.07 1.25 -0.70 3.16 2.07 -0.84 -1.39 116.25 119.86 1jkj h VAL 107 Ca 0.03 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 1jkj h VAL 107 Cb 0.69 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 1jkj h VAL 107 CO 0.04 0.25 0.32 0.50 0.02 0.00 0.00 177.57 178.70 1jkj h LYS 108 N 1.26 1.01 -0.54 1.57 1.63 -0.74 0.23 116.57 120.99 1jkj h LYS 108 Ca 0.33 -0.15 -0.10 0.00 -0.85 0.00 0.00 60.65 59.89 1jkj h LYS 108 Cb -0.09 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.34 1jkj h LYS 108 CO -0.07 0.80 -0.04 0.28 -3.45 0.00 0.00 179.45 176.97 1jkj h VAL 109 N 1.00 1.26 0.16 2.00 2.07 -1.07 -2.39 116.25 119.28 1jkj h VAL 109 Ca 0.24 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1jkj h VAL 109 Cb 0.14 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1jkj h VAL 109 CO -0.03 0.41 -0.07 0.50 0.02 0.00 0.00 177.57 178.40 1jkj h LYS 110 N 0.86 -0.20 -0.56 1.57 1.63 -0.29 -2.24 116.57 117.34 1jkj h LYS 110 Ca 0.15 0.01 0.11 0.00 -0.85 0.00 0.00 60.65 60.08 1jkj h LYS 110 Cb 0.57 0.05 -0.10 0.00 -0.60 0.00 0.00 32.23 32.14 1jkj h LYS 110 CO 0.03 0.12 -0.12 -0.07 -3.45 0.00 0.00 179.45 175.97 1jkj h LEU 111 N -0.54 -0.48 -0.51 5.20 3.38 -0.53 0.22 115.31 122.05 1jkj h LEU 111 Ca -0.02 0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1jkj h LEU 111 Cb 0.41 0.33 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1jkj h LEU 111 CO 0.04 -0.17 0.19 0.44 0.09 0.00 0.00 178.44 179.02 1jkj h ASP 112 N 0.02 0.72 -0.27 -0.43 3.32 -1.40 0.77 116.42 119.15 1jkj h ASP 112 Ca 0.27 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 1jkj h ASP 112 Cb 0.42 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1jkj h ASP 112 CO -0.56 0.71 -0.10 -0.33 -1.72 0.00 0.00 179.24 177.24 1jkj h GLU 113 N 0.69 0.68 -0.01 3.56 5.08 -0.49 -2.43 114.58 121.66 1jkj h GLU 113 Ca 0.17 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1jkj h GLU 113 Cb 0.23 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1jkj h GLU 113 CO -0.01 0.76 -0.06 0.00 -1.00 0.00 0.00 179.01 178.70 1jkj n ALA 114 N -2.48 2.71 -3.54 3.43 0.00 0.63 -4.91 120.51 116.34 1jkj n ALA 114 Ca 0.01 -0.34 -0.23 0.00 0.00 0.00 0.00 53.44 52.89 1jkj n ALA 114 Cb 0.34 -1.28 0.08 0.00 0.00 0.00 0.00 19.45 18.58 1jkj n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jkj n GLY 115 N 1.19 -0.47 3.66 0.00 0.00 -0.34 -4.98 105.19 104.24 1jkj n GLY 115 Ca 0.18 0.21 -0.33 0.00 0.00 0.00 0.00 46.02 46.08 1jkj n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jkj s VAL 116 N -3.30 4.06 -0.22 1.61 1.01 0.12 -4.97 120.40 118.71 1jkj s VAL 116 Ca 0.56 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.86 1jkj s VAL 116 Cb -0.25 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 1jkj s VAL 116 CO 0.69 0.45 0.25 -0.60 0.00 0.00 0.00 175.10 175.89 1jkj s ARG 117 N -1.33 4.13 -0.05 2.72 6.06 -0.17 -4.48 118.95 125.83 1jkj s ARG 117 Ca 0.17 -0.07 0.03 0.00 -2.50 0.00 0.00 55.73 53.37 1jkj s ARG 117 Cb -0.11 -3.52 0.00 0.00 0.06 0.00 0.00 34.95 31.38 1jkj s ARG 117 CO 0.07 0.06 -0.14 1.41 -2.50 0.00 0.00 175.30 174.21 1jkj s MET 118 N 1.03 1.65 -0.20 5.12 -2.45 -1.26 -0.34 119.30 122.85 1jkj s MET 118 Ca 0.12 -0.49 -0.05 0.00 -1.25 0.00 0.00 55.69 54.02 1jkj s MET 118 Cb -0.14 -1.41 -0.02 0.00 1.25 0.00 0.00 34.83 34.51 1jkj s MET 118 CO 0.05 0.14 -0.00 0.42 1.05 0.00 0.00 175.02 176.67 1jkj s ILE 119 N 0.31 3.93 -0.06 10.11 -1.09 0.60 -2.01 121.20 132.98 1jkj s ILE 119 Ca -0.08 -0.32 0.00 0.00 -2.23 0.00 0.00 60.65 58.01 1jkj s ILE 119 Cb -0.13 -2.77 0.00 0.00 -1.58 0.00 0.00 42.46 37.98 1jkj s ILE 119 CO 0.03 0.43 0.00 0.61 -1.23 0.00 0.00 174.94 174.78 1jkj n GLY 120 N 4.25 0.39 0.00 6.18 0.00 -1.25 -0.70 105.19 114.07 1jkj n GLY 120 Ca -0.17 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.55 1jkj n GLY 120 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jkj n PRO 121 N 0.00 1.00 -3.99 1.61 -0.04 -1.26 0.76 135.00 133.09 1jkj n PRO 121 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 1jkj n PRO 121 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 1jkj n PRO 121 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1jkj n ASN 122 N -0.71 -0.85 -4.13 3.54 5.15 0.99 -4.12 115.26 115.12 1jkj n ASN 122 Ca 0.00 -1.07 -0.09 0.00 -0.60 0.00 0.00 54.58 52.82 1jkj n ASN 122 Cb 0.00 -2.78 -0.10 0.00 -0.53 0.00 0.00 39.78 36.37 1jkj n ASN 122 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jkj n PRO 124 N 0.00 0.03 0.00 0.00 -0.04 -1.26 -4.39 135.00 129.35 1jkj n PRO 124 Ca -0.11 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1jkj n PRO 124 Cb 0.62 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1jkj n PRO 124 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jkj n GLY 125 N 1.49 -0.23 3.04 0.55 0.00 -1.26 -0.13 105.19 108.65 1jkj n GLY 125 Ca 0.07 -1.99 -0.16 0.00 0.00 0.00 0.00 46.02 43.94 1jkj n GLY 125 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jkj s VAL 126 N 0.00 0.62 -0.13 1.61 1.01 0.53 -1.33 120.40 122.71 1jkj s VAL 126 Ca 0.00 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 1jkj s VAL 126 Cb 0.00 -0.60 0.05 0.00 0.00 0.00 0.00 36.38 35.83 1jkj s VAL 126 CO 0.00 -0.10 0.29 -0.51 0.00 0.00 0.00 175.10 174.79 1jkj s ILE 127 N -0.77 -0.13 -0.51 2.22 2.07 -0.30 -0.73 121.20 123.06 1jkj s ILE 127 Ca -0.03 0.16 -0.07 0.00 -1.41 0.00 0.00 60.65 59.30 1jkj s ILE 127 Cb -0.06 -0.46 0.13 0.00 0.13 0.00 0.00 42.46 42.20 1jkj s ILE 127 CO 0.00 0.07 0.36 -0.89 -1.91 0.00 0.00 174.94 172.57 1jkj s THR 128 N 1.54 4.06 0.10 4.00 2.01 0.41 -0.03 115.64 127.73 1jkj s THR 128 Ca -0.07 -2.08 -0.36 0.00 0.31 0.00 0.00 61.69 59.49 1jkj s THR 128 Cb -0.10 -3.67 -0.16 0.00 0.01 0.00 0.00 72.50 68.57 1jkj s THR 128 CO -0.10 -0.80 1.36 -2.65 -0.69 0.00 0.00 174.62 171.74 1jkj n PRO 129 N 4.56 1.25 0.00 4.92 -0.02 -1.25 -0.67 135.00 143.78 1jkj n PRO 129 Ca -0.03 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1jkj n PRO 129 Cb 0.41 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1jkj n PRO 129 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jkj n GLY 130 N 2.58 2.79 0.50 -1.23 0.00 -1.26 -4.40 105.19 104.18 1jkj n GLY 130 Ca 0.18 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 1jkj n GLY 130 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jkj n GLU 131 N 0.00 0.28 -3.73 1.61 1.02 -0.08 -4.97 120.64 114.77 1jkj n GLU 131 Ca 0.00 0.11 -0.13 0.00 -0.02 0.00 0.00 57.16 57.12 1jkj n GLU 131 Cb 0.00 -1.02 -0.10 0.00 -0.02 0.00 0.00 31.44 30.31 1jkj n GLU 131 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jkj s LYS 133 N 0.17 0.98 -0.20 0.00 2.20 -1.26 -0.44 119.74 121.18 1jkj s LYS 133 Ca -0.00 -0.11 -0.01 0.00 -0.36 0.00 0.00 55.97 55.49 1jkj s LYS 133 Cb -0.03 -1.37 0.06 0.00 -1.51 0.00 0.00 37.83 34.98 1jkj s LYS 133 CO 0.01 -0.34 -0.03 0.42 -0.36 0.00 0.00 175.35 175.06 1jkj s ILE 134 N 1.85 1.11 -3.61 5.43 1.01 0.09 -4.71 121.20 122.37 1jkj s ILE 134 Ca 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.83 1jkj s ILE 134 Cb -0.13 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 40.91 1jkj s ILE 134 CO -0.07 -0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.41 1jkj n GLY 135 N 4.84 0.81 0.22 6.18 0.00 -1.26 -0.35 105.19 115.64 1jkj n GLY 135 Ca -0.11 -1.94 0.06 0.00 0.00 0.00 0.00 46.02 44.02 1jkj n GLY 135 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jkj n ILE 136 N 6.50 0.00 -1.79 -0.61 -5.35 0.82 -4.87 119.36 114.06 1jkj n ILE 136 Ca 0.00 -0.35 -0.40 0.00 -0.27 0.00 0.00 62.75 61.73 1jkj n ILE 136 Cb 0.00 1.12 0.02 0.00 -1.74 0.00 0.00 39.64 39.03 1jkj n ILE 136 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jkj s GLN 137 N -1.63 3.72 -0.07 6.28 0.00 -1.24 -4.94 119.66 121.77 1jkj s GLN 137 Ca 0.09 2.45 -0.30 0.00 -0.00 0.00 0.00 55.36 57.60 1jkj s GLN 137 Cb 0.09 -2.69 -0.04 0.00 0.00 0.00 0.00 33.01 30.38 1jkj s GLN 137 CO 0.33 -0.80 1.37 -1.25 0.00 0.00 0.00 175.29 174.94 1jkj s PRO 138 N -2.42 4.26 0.00 9.60 0.04 -1.26 -4.93 135.00 140.29 1jkj s PRO 138 Ca 0.60 1.86 0.24 0.00 0.04 0.00 0.00 61.00 63.74 1jkj s PRO 138 Cb -0.44 -3.70 1.41 0.00 0.04 0.00 0.00 34.50 31.81 1jkj s PRO 138 CO 0.57 -0.64 1.91 0.41 0.04 0.00 0.00 177.00 179.30 1jkj n GLY 139 N 3.67 -0.93 0.82 0.56 0.00 -1.26 -3.74 105.19 104.31 1jkj n GLY 139 Ca 0.14 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.07 1jkj n GLY 139 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jkj n HIS 140 N -0.81 0.53 -0.33 1.61 8.25 -1.26 -3.55 115.22 119.66 1jkj n HIS 140 Ca 0.18 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1jkj n HIS 140 Cb 0.10 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.21 1jkj n HIS 140 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1jkj n ILE 141 N 0.80 0.00 -2.97 1.59 -5.35 -1.25 -5.06 119.36 107.13 1jkj n ILE 141 Ca 0.16 -0.25 -0.27 0.00 -0.27 0.00 0.00 62.75 62.12 1jkj n ILE 141 Cb 0.40 1.33 -0.01 0.00 -1.74 0.00 0.00 39.64 39.61 1jkj n ILE 141 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 1jkj s HIS 142 N -0.17 3.52 -0.16 4.28 3.76 -1.23 -4.49 115.29 120.80 1jkj s HIS 142 Ca 0.00 0.72 -0.06 0.00 -0.15 0.00 0.00 55.06 55.56 1jkj s HIS 142 Cb 0.00 -2.20 0.07 0.00 1.11 0.00 0.00 32.58 31.56 1jkj s HIS 142 CO 0.00 -0.08 0.34 0.21 -0.85 0.00 0.00 174.74 174.37 1jkj s LYS 143 N -4.28 0.26 0.02 1.40 2.20 -1.26 -5.01 119.74 113.08 1jkj s LYS 143 Ca 0.46 0.83 -0.37 0.00 -0.36 0.00 0.00 55.97 56.52 1jkj s LYS 143 Cb -0.10 0.08 -0.16 0.00 -1.51 0.00 0.00 37.83 36.14 1jkj s LYS 143 CO 0.38 -0.23 1.42 -2.30 -0.36 0.00 0.00 175.35 174.25 1jkj n PRO 144 N 5.02 1.17 0.00 4.03 -0.02 -1.26 0.18 135.00 144.11 1jkj n PRO 144 Ca -0.13 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1jkj n PRO 144 Cb 0.51 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1jkj n PRO 144 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jkj n GLY 145 N 2.83 2.85 0.22 -1.23 0.00 0.00 -4.40 105.19 105.46 1jkj n GLY 145 Ca 0.20 -0.57 0.03 0.00 0.00 0.00 0.00 46.02 45.68 1jkj n GLY 145 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1jkj n LYS 146 N 0.00 0.04 -3.81 1.61 2.85 -0.78 -2.75 118.16 115.31 1jkj n LYS 146 Ca 0.00 -0.91 -0.35 0.00 -1.05 0.00 0.00 58.31 56.00 1jkj n LYS 146 Cb 0.00 -1.10 -0.09 0.00 -0.65 0.00 0.00 35.03 33.19 1jkj n LYS 146 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1jkj s VAL 147 N -0.50 5.22 -0.10 0.58 1.01 -0.39 0.06 120.40 126.27 1jkj s VAL 147 Ca 0.07 0.12 -0.15 0.00 0.00 0.00 0.00 61.98 62.02 1jkj s VAL 147 Cb 0.05 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 1jkj s VAL 147 CO 0.07 0.44 0.36 -0.83 0.00 0.00 0.00 175.10 175.15 1jkj s GLY 148 N 0.38 2.33 -0.10 4.51 0.00 0.12 0.02 107.32 114.57 1jkj s GLY 148 Ca 0.06 -0.33 0.03 0.00 0.00 0.00 0.00 44.72 44.49 1jkj s GLY 148 CO -0.01 0.40 -0.21 -0.42 0.00 0.00 0.00 173.10 172.86 1jkj s ILE 149 N 0.01 1.82 -0.04 0.90 1.01 -0.61 0.14 121.20 124.44 1jkj s ILE 149 Ca 0.21 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 60.04 1jkj s ILE 149 Cb -0.14 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.72 1jkj s ILE 149 CO 0.08 0.51 -0.20 -0.69 0.00 0.00 0.00 174.94 174.64 1jkj s VAL 150 N 0.52 1.63 -0.11 2.92 1.01 0.19 0.55 120.40 127.11 1jkj s VAL 150 Ca -0.16 -0.84 -0.25 0.00 0.00 0.00 0.00 61.98 60.73 1jkj s VAL 150 Cb -0.17 -1.39 0.06 0.00 0.00 0.00 0.00 36.38 34.88 1jkj s VAL 150 CO 0.06 0.46 0.60 -0.55 0.00 0.00 0.00 175.10 175.67 1jkj s SER 151 N -0.14 -0.58 0.00 3.32 0.15 -0.53 0.51 113.70 116.43 1jkj s SER 151 Ca -0.01 0.82 0.25 0.00 0.70 0.00 0.00 55.95 57.72 1jkj s SER 151 Cb -0.11 0.78 1.12 0.00 -1.71 0.00 0.00 66.02 66.10 1jkj s SER 151 CO 0.02 -0.43 1.76 0.54 1.20 0.00 0.00 173.24 176.33 1jkj n ARG 152 N 1.66 1.48 -4.13 5.44 1.74 -0.55 0.11 116.66 122.41 1jkj n ARG 152 Ca -0.17 -0.70 -0.15 0.00 -0.77 0.00 0.00 57.85 56.05 1jkj n ARG 152 Cb 0.56 -1.43 -0.14 0.00 -1.02 0.00 0.00 32.46 30.43 1jkj n ARG 152 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1jkj s SER 153 N -1.81 0.58 -0.01 0.55 0.15 -1.26 -2.89 113.70 109.02 1jkj s SER 153 Ca 0.37 -0.11 -0.04 0.00 0.70 0.00 0.00 55.95 56.87 1jkj s SER 153 Cb 0.19 -0.06 -0.02 0.00 -1.71 0.00 0.00 66.02 64.42 1jkj s SER 153 CO 0.30 0.04 0.52 1.23 1.20 0.00 0.00 173.24 176.54 1jkj h GLY 154 N 5.94 -0.14 0.11 9.45 0.00 -1.93 -3.13 103.07 113.37 1jkj h GLY 154 Ca -0.28 0.05 0.13 0.00 0.00 0.00 0.00 47.33 47.23 1jkj h GLY 154 CO 0.50 -0.05 0.17 -0.91 0.00 0.00 0.00 176.54 176.25 1jkj h THR 155 N -0.25 0.61 -0.80 4.70 1.35 -2.00 -0.98 112.91 115.55 1jkj h THR 155 Ca -0.01 -0.10 0.04 0.00 -0.55 0.00 0.00 66.41 65.78 1jkj h THR 155 Cb 0.10 0.29 -0.05 0.00 -1.73 0.00 0.00 68.15 66.76 1jkj h THR 155 CO 0.02 0.05 0.50 -0.07 -0.25 0.00 0.00 175.52 175.78 1jkj h LEU 156 N 0.30 0.81 -0.70 3.87 3.38 -2.01 -1.50 115.31 119.46 1jkj h LEU 156 Ca 0.36 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.43 1jkj h LEU 156 Cb 0.56 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 1jkj h LEU 156 CO -0.43 0.54 0.34 0.74 0.09 0.00 0.00 178.44 179.73 1jkj h THR 157 N 0.95 0.84 -0.48 0.22 2.02 -1.14 -0.82 112.91 114.51 1jkj h THR 157 Ca 0.33 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 67.33 1jkj h THR 157 Cb 0.07 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.66 1jkj h THR 157 CO -0.13 0.11 0.32 1.88 0.37 0.00 0.00 175.52 178.06 1jkj h TYR 158 N 0.59 0.54 -0.24 3.16 0.05 -0.76 0.33 116.97 120.64 1jkj h TYR 158 Ca 0.34 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 59.12 1jkj h TYR 158 Cb 0.36 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 1jkj h TYR 158 CO -0.11 0.32 0.07 0.93 -1.05 0.00 0.00 178.16 178.31 1jkj h GLU 159 N 0.56 0.37 -0.04 4.88 4.39 -0.73 0.12 114.58 124.13 1jkj h GLU 159 Ca 0.19 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.75 1jkj h GLU 159 Cb 0.07 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1jkj h GLU 159 CO -0.05 0.47 -0.25 0.00 -1.16 0.00 0.00 179.01 178.02 1jkj h ALA 160 N 0.89 1.52 -0.14 3.43 0.00 -0.38 -1.22 119.26 123.36 1jkj h ALA 160 Ca 0.08 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1jkj h ALA 160 Cb 0.26 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1jkj h ALA 160 CO -0.00 0.35 -0.19 0.28 0.00 0.00 0.00 179.25 179.69 1jkj h VAL 161 N 0.06 1.36 -0.40 0.00 2.07 0.09 -1.16 116.25 118.26 1jkj h VAL 161 Ca 0.01 -1.40 0.04 0.00 0.82 0.00 0.00 66.70 66.17 1jkj h VAL 161 Cb 0.47 1.95 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 1jkj h VAL 161 CO 0.03 0.41 0.16 0.50 0.02 0.00 0.00 177.57 178.69 1jkj h LYS 162 N -0.01 0.32 -0.82 1.57 3.64 -0.22 -0.57 116.57 120.47 1jkj h LYS 162 Ca 0.02 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1jkj h LYS 162 Cb 0.75 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.46 1jkj h LYS 162 CO 0.04 0.21 0.38 1.96 -2.27 0.00 0.00 179.45 179.78 1jkj h GLN 163 N 0.33 1.19 0.00 1.90 4.20 -1.17 0.25 115.11 121.81 1jkj h GLN 163 Ca 0.18 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jkj h GLN 163 Cb 0.15 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1jkj h GLN 163 CO -0.17 0.93 0.00 1.79 -0.67 0.00 0.00 178.83 180.71 1jkj h THR 164 N 1.17 0.00 0.00 -0.54 1.35 -0.75 -0.75 112.91 113.39 1jkj h THR 164 Ca 0.28 -0.78 -0.03 0.00 -0.55 0.00 0.00 66.41 65.33 1jkj h THR 164 Cb 0.14 1.77 -0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1jkj h THR 164 CO -0.03 0.00 -0.18 0.74 -0.25 0.00 0.00 175.52 175.80 1jkj h THR 165 N 0.00 1.57 -0.83 6.82 2.02 -0.79 0.39 112.91 122.10 1jkj h THR 165 Ca 0.00 -2.25 0.16 0.00 0.77 0.00 0.00 66.41 65.09 1jkj h THR 165 Cb 0.81 3.04 -0.06 0.00 -1.74 0.00 0.00 68.15 70.20 1jkj h THR 165 CO 0.00 0.53 0.55 0.44 0.37 0.00 0.00 175.52 177.41 1jkj h ASP 166 N -1.00 0.48 -0.20 4.18 3.32 -0.41 0.84 116.42 123.63 1jkj h ASP 166 Ca -0.05 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1jkj h ASP 166 Cb 0.99 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.48 1jkj h ASP 166 CO -0.03 0.23 0.00 -1.22 -1.72 0.00 0.00 179.24 176.50 1jkj n TYR 167 N -4.51 0.27 -0.08 4.55 4.02 -0.30 -4.90 117.16 116.21 1jkj n TYR 167 Ca 0.16 -0.13 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 1jkj n TYR 167 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.87 1jkj n TYR 167 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jkj n GLY 168 N 0.84 1.61 0.25 2.72 0.00 0.29 -4.84 105.19 106.06 1jkj n GLY 168 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 1jkj n GLY 168 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1jkj h PHE 169 N 0.00 0.70 -0.59 1.61 0.04 -1.48 -3.48 116.94 113.74 1jkj h PHE 169 Ca 0.00 0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.86 1jkj h PHE 169 Cb 0.00 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 37.91 1jkj h PHE 169 CO 0.00 0.36 -0.14 0.41 -0.60 0.00 0.00 178.31 178.34 1jkj n GLY 170 N -1.28 -1.88 3.27 -1.45 0.00 0.13 -1.87 105.19 102.11 1jkj n GLY 170 Ca 0.07 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.34 1jkj n GLY 170 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jkj s GLN 171 N -1.94 2.26 -0.05 1.61 1.11 0.13 -1.26 119.66 121.50 1jkj s GLN 171 Ca 0.00 -0.89 -0.03 0.00 0.01 0.00 0.00 55.36 54.46 1jkj s GLN 171 Cb 0.00 -2.03 -0.02 0.00 -1.01 0.00 0.00 33.01 29.95 1jkj s GLN 171 CO 0.00 0.45 0.16 0.66 0.01 0.00 0.00 175.29 176.57 1jkj h SER 172 N 5.81 -0.09 -4.17 5.90 4.64 -0.22 0.04 113.55 125.46 1jkj h SER 172 Ca -0.37 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.78 1jkj h SER 172 Cb 1.15 0.02 -0.24 0.00 -0.31 0.00 0.00 62.40 63.02 1jkj h SER 172 CO 0.47 0.22 -0.49 -0.89 -0.87 0.00 0.00 176.83 175.27 1jkj s THR 173 N -1.77 0.03 -0.17 2.95 2.01 -1.25 -3.87 115.64 113.56 1jkj s THR 173 Ca -0.02 -0.21 -0.04 0.00 0.31 0.00 0.00 61.69 61.74 1jkj s THR 173 Cb 0.00 -0.32 -0.02 0.00 0.01 0.00 0.00 72.50 72.17 1jkj s THR 173 CO 0.05 -0.12 -0.04 0.00 -0.69 0.00 0.00 174.62 173.82 1jkj s VAL 175 N 0.65 1.54 -0.55 0.00 1.01 0.19 -1.15 120.40 122.09 1jkj s VAL 175 Ca -0.02 -0.86 -0.17 0.00 0.00 0.00 0.00 61.98 60.92 1jkj s VAL 175 Cb -0.14 -1.59 0.11 0.00 0.00 0.00 0.00 36.38 34.75 1jkj s VAL 175 CO 0.02 0.23 0.59 -0.83 0.00 0.00 0.00 175.10 175.11 1jkj s GLY 176 N 1.46 1.92 0.00 4.51 0.00 -0.45 -1.45 107.32 113.32 1jkj s GLY 176 Ca 0.00 -2.29 0.19 0.00 0.00 0.00 0.00 44.72 42.63 1jkj s GLY 176 CO -0.09 1.37 1.56 0.29 0.00 0.00 0.00 173.10 176.24 1jkj n ILE 177 N 5.40 0.35 0.00 0.90 -5.35 0.12 -4.19 119.36 116.59 1jkj n ILE 177 Ca -0.11 0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 1jkj n ILE 177 Cb 0.42 -0.78 0.00 0.00 -1.74 0.00 0.00 39.64 37.54 1jkj n ILE 177 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jkj n GLY 178 N 0.28 -0.72 1.53 3.28 0.00 -1.23 -3.77 105.19 104.57 1jkj n GLY 178 Ca 0.10 -1.66 0.08 0.00 0.00 0.00 0.00 46.02 44.54 1jkj n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jkj n GLY 179 N -0.63 3.29 3.90 -0.02 0.00 -0.49 -4.46 105.19 106.77 1jkj n GLY 179 Ca 0.00 -0.94 -0.28 0.00 0.00 0.00 0.00 46.02 44.80 1jkj n GLY 179 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jkj s ASP 180 N -1.16 6.23 0.33 1.61 1.01 -1.26 -0.20 116.67 123.24 1jkj s ASP 180 Ca 0.50 1.00 0.03 0.00 0.71 0.00 0.00 52.55 54.79 1jkj s ASP 180 Cb 0.38 -2.27 0.57 0.00 1.01 0.00 0.00 42.92 42.61 1jkj s ASP 180 CO 0.15 -0.64 1.88 1.55 0.21 0.00 0.00 175.17 178.31 1jkj h PRO 181 N 0.12 0.61 -3.68 8.23 0.13 -1.88 -3.36 132.00 132.18 1jkj h PRO 181 Ca -0.46 -0.12 -0.63 0.00 -0.87 0.00 0.00 66.00 63.91 1jkj h PRO 181 Cb 1.20 -0.09 -0.40 0.00 0.13 0.00 0.00 31.00 31.83 1jkj h PRO 181 CO 0.62 0.59 -0.69 0.42 -0.23 0.00 0.00 178.00 178.71 1jkj s ILE 182 N -5.09 2.10 0.59 -3.56 1.01 -1.26 -5.03 121.20 109.96 1jkj s ILE 182 Ca -0.08 -2.72 -0.07 0.00 0.00 0.00 0.00 60.65 57.78 1jkj s ILE 182 Cb 0.16 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 40.13 1jkj s ILE 182 CO 0.77 -0.75 0.92 -2.16 0.00 0.00 0.00 174.94 173.72 1jkj s PRO 183 N 0.35 3.04 0.25 2.79 0.04 -1.26 -4.73 135.00 135.48 1jkj s PRO 183 Ca 0.15 0.13 0.02 0.00 0.04 0.00 0.00 61.00 61.33 1jkj s PRO 183 Cb -0.23 -2.24 0.32 0.00 0.04 0.00 0.00 34.50 32.39 1jkj s PRO 183 CO -0.05 -0.67 1.65 0.78 0.04 0.00 0.00 177.00 178.75 1jkj h GLY 184 N -0.19 0.49 -5.33 0.56 0.00 0.19 -3.44 103.07 95.36 1jkj h GLY 184 Ca -0.45 -0.47 -0.40 0.00 0.00 0.00 0.00 47.33 46.01 1jkj h GLY 184 CO 0.61 0.42 -0.78 -0.56 0.00 0.00 0.00 176.54 176.24 1jkj s SER 185 N -6.85 1.06 0.41 0.19 0.01 -0.85 -4.57 113.70 103.11 1jkj s SER 185 Ca -0.06 -0.16 0.03 0.00 1.31 0.00 0.00 55.95 57.06 1jkj s SER 185 Cb 0.13 -0.17 0.03 0.00 0.21 0.00 0.00 66.02 66.22 1jkj s SER 185 CO 0.80 0.09 0.27 -0.46 0.41 0.00 0.00 173.24 174.35 1jkj n ASN 186 N 2.99 2.44 0.03 2.44 2.04 -1.26 -4.84 115.26 119.09 1jkj n ASN 186 Ca -0.15 -2.47 -0.10 0.00 -0.44 0.00 0.00 54.58 51.42 1jkj n ASN 186 Cb 0.56 0.01 -0.04 0.00 -2.53 0.00 0.00 39.78 37.79 1jkj n ASN 186 CO 0.00 0.00 0.00 -0.26 -0.44 0.00 0.00 177.26 176.56 1jkj h PHE 187 N 0.71 -0.58 -0.90 -2.53 0.04 -2.00 -2.40 116.94 109.28 1jkj h PHE 187 Ca -0.27 0.02 0.17 0.00 2.80 0.00 0.00 57.97 60.70 1jkj h PHE 187 Cb 0.97 0.27 -0.10 0.00 2.20 0.00 0.00 35.95 39.28 1jkj h PHE 187 CO 0.00 -0.30 0.48 0.82 -0.60 0.00 0.00 178.31 178.70 1jkj h ILE 188 N -0.31 0.67 -0.57 -0.55 2.04 -1.92 0.42 117.51 117.28 1jkj h ILE 188 Ca 0.08 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1jkj h ILE 188 Cb 0.43 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 1jkj h ILE 188 CO -0.25 0.11 0.34 0.44 0.00 0.00 0.00 178.15 178.80 1jkj h ASP 189 N 0.61 0.69 0.53 1.72 3.32 -1.83 -1.32 116.42 120.14 1jkj h ASP 189 Ca 0.52 -0.06 -0.25 0.00 0.02 0.00 0.00 57.03 57.26 1jkj h ASP 189 Cb 0.81 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1jkj h ASP 189 CO -0.40 0.55 -1.10 0.40 -1.72 0.00 0.00 179.24 176.97 1jkj h ILE 190 N 0.77 1.47 -0.30 0.35 1.08 -0.94 -3.09 117.51 116.85 1jkj h ILE 190 Ca 0.21 -2.81 0.01 0.00 -0.39 0.00 0.00 64.86 61.87 1jkj h ILE 190 Cb -0.01 2.71 -0.02 0.00 -3.07 0.00 0.00 36.82 36.43 1jkj h ILE 190 CO -0.04 0.83 0.19 -0.07 -0.69 0.00 0.00 178.15 178.37 1jkj h LEU 191 N 0.13 0.32 -1.71 1.44 3.38 -0.04 -0.55 115.31 118.28 1jkj h LEU 191 Ca -0.10 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.89 1jkj h LEU 191 Cb 1.78 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.44 1jkj h LEU 191 CO 0.18 0.23 0.24 -0.08 0.09 0.00 0.00 178.44 179.10 1jkj h GLU 192 N 0.39 0.37 -0.16 1.13 4.81 -1.27 -0.85 114.58 118.99 1jkj h GLU 192 Ca 0.11 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.14 1jkj h GLU 192 Cb -0.03 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 1jkj h GLU 192 CO -0.04 0.24 -0.63 0.52 -0.73 0.00 0.00 179.01 178.38 1jkj h MET 193 N 0.38 0.58 -0.36 1.92 2.86 -1.07 -2.71 114.93 116.52 1jkj h MET 193 Ca 0.14 -0.41 -0.11 0.00 -2.06 0.00 0.00 59.70 57.27 1jkj h MET 193 Cb 0.11 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1jkj h MET 193 CO -0.03 1.03 -0.20 0.74 1.06 0.00 0.00 176.91 179.50 1jkj h PHE 194 N 0.42 0.90 -0.56 -0.22 0.04 -0.50 -2.22 116.94 114.80 1jkj h PHE 194 Ca -0.01 -0.23 0.02 0.00 2.80 0.00 0.00 57.97 60.54 1jkj h PHE 194 Cb 1.20 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 39.12 1jkj h PHE 194 CO 0.05 0.98 0.37 1.49 -0.60 0.00 0.00 178.31 180.60 1jkj h GLU 195 N 0.57 0.70 -0.23 1.51 4.57 -1.18 -1.36 114.58 119.15 1jkj h GLU 195 Ca 0.08 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1jkj h GLU 195 Cb 0.75 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 1jkj h GLU 195 CO 0.06 0.46 0.00 1.17 -1.18 0.00 0.00 179.01 179.52 1jkj n LYS 196 N -4.46 2.01 -3.45 1.92 4.81 -1.03 -4.82 118.16 113.15 1jkj n LYS 196 Ca 0.06 -1.52 -0.43 0.00 -0.87 0.00 0.00 58.31 55.54 1jkj n LYS 196 Cb 0.08 -1.44 -0.10 0.00 0.02 0.00 0.00 35.03 33.60 1jkj n LYS 196 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1jkj s ASP 197 N -1.56 6.12 0.24 3.14 2.15 -0.51 -4.96 116.67 121.28 1jkj s ASP 197 Ca 0.34 -0.97 -0.11 0.00 0.43 0.00 0.00 52.55 52.24 1jkj s ASP 197 Cb 0.19 -2.16 0.34 0.00 -0.30 0.00 0.00 42.92 40.98 1jkj s ASP 197 CO 0.28 -0.48 1.60 1.55 -0.17 0.00 0.00 175.17 177.95 1jkj h PRO 198 N 8.65 -0.00 0.00 4.34 0.13 -1.87 0.20 132.00 143.45 1jkj h PRO 198 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1jkj h PRO 198 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1jkj h PRO 198 CO 0.75 -0.00 0.00 0.37 -0.23 0.00 0.00 178.00 178.89 1jkj h GLN 199 N -0.00 0.00 -5.11 0.86 4.15 -1.93 -3.40 115.11 109.68 1jkj h GLN 199 Ca 0.38 0.00 -0.64 0.00 0.77 0.00 0.00 58.65 59.16 1jkj h GLN 199 Cb 0.58 0.00 -0.16 0.00 0.21 0.00 0.00 27.48 28.12 1jkj h GLN 199 CO -0.82 0.00 -0.20 0.99 -1.93 0.00 0.00 178.83 176.86 1jkj s THR 200 N -3.91 5.13 -0.12 2.39 2.01 0.06 -4.42 115.64 116.78 1jkj s THR 200 Ca -0.04 0.34 0.20 0.00 0.31 0.00 0.00 61.69 62.50 1jkj s THR 200 Cb 0.10 -3.81 -0.29 0.00 0.01 0.00 0.00 72.50 68.52 1jkj s THR 200 CO 0.34 -0.02 0.29 -0.62 -0.69 0.00 0.00 174.62 173.91 1jkj n GLU 201 N 5.45 0.67 -3.86 4.92 1.02 0.11 -4.84 120.64 124.12 1jkj n GLU 201 Ca -0.08 -0.09 -0.11 0.00 -0.02 0.00 0.00 57.16 56.87 1jkj n GLU 201 Cb 0.50 -1.53 -0.09 0.00 -0.02 0.00 0.00 31.44 30.30 1jkj n GLU 201 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jkj s ALA 202 N -2.98 -0.35 -0.04 0.62 0.00 -1.00 -4.04 121.76 113.98 1jkj s ALA 202 Ca -0.09 -0.21 0.06 0.00 0.00 0.00 0.00 51.96 51.72 1jkj s ALA 202 Cb 0.10 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.40 1jkj s ALA 202 CO 0.87 -0.29 -0.23 0.42 0.00 0.00 0.00 175.76 176.53 1jkj s ILE 203 N -2.03 1.83 -0.22 0.00 1.01 0.33 0.12 121.20 122.24 1jkj s ILE 203 Ca -0.09 -0.96 -0.06 0.00 0.00 0.00 0.00 60.65 59.54 1jkj s ILE 203 Cb -0.04 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 1jkj s ILE 203 CO -0.01 0.51 0.02 -0.69 0.00 0.00 0.00 174.94 174.77 1jkj s VAL 204 N -0.25 3.98 -0.25 2.92 1.01 0.37 0.03 120.40 128.21 1jkj s VAL 204 Ca 0.01 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 1jkj s VAL 204 Cb -0.12 -2.83 -0.00 0.00 0.00 0.00 0.00 36.38 33.44 1jkj s VAL 204 CO 0.02 0.40 0.01 -0.32 0.00 0.00 0.00 175.10 175.21 1jkj s MET 205 N 1.31 3.25 -0.23 2.72 1.75 -0.05 -0.64 119.30 127.41 1jkj s MET 205 Ca 0.04 -0.72 -0.01 0.00 -1.25 0.00 0.00 55.69 53.75 1jkj s MET 205 Cb -0.15 -3.18 0.02 0.00 2.84 0.00 0.00 34.83 34.37 1jkj s MET 205 CO 0.01 -0.30 -0.09 0.42 -0.65 0.00 0.00 175.02 174.41 1jkj s ILE 206 N 1.49 2.72 0.07 10.11 1.01 0.18 -1.59 121.20 135.18 1jkj s ILE 206 Ca 0.04 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.69 1jkj s ILE 206 Cb -0.16 -2.34 -0.00 0.00 0.01 0.00 0.00 42.46 39.97 1jkj s ILE 206 CO -0.00 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.81 1jkj n GLY 207 N 4.65 4.10 3.15 6.18 0.00 -0.36 -1.47 105.19 121.44 1jkj n GLY 207 Ca -0.17 -2.19 -0.06 0.00 0.00 0.00 0.00 46.02 43.59 1jkj n GLY 207 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1jkj n GLU 208 N -0.16 0.84 -0.68 1.61 0.28 -1.26 -1.38 120.64 119.90 1jkj n GLU 208 Ca -0.03 -1.70 -0.31 0.00 -0.16 0.00 0.00 57.16 54.97 1jkj n GLU 208 Cb 0.08 2.15 0.17 0.00 1.43 0.00 0.00 31.44 35.27 1jkj n GLU 208 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 1jkj n ILE 209 N -0.49 0.00 0.00 3.84 -5.35 -0.95 -4.85 119.36 111.56 1jkj n ILE 209 Ca -0.06 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 1jkj n ILE 209 Cb 0.49 -0.90 0.00 0.00 -1.74 0.00 0.00 39.64 37.49 1jkj n ILE 209 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jkj n GLY 210 N 0.70 -1.46 7.00 3.28 0.00 0.06 -4.20 105.19 110.57 1jkj n GLY 210 Ca 0.09 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1jkj n GLY 210 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jkj n GLY 211 N 0.15 -0.64 0.94 -0.02 0.00 -1.26 -4.62 105.19 99.73 1jkj n GLY 211 Ca 0.00 -1.14 0.01 0.00 0.00 0.00 0.00 46.02 44.89 1jkj n GLY 211 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jkj n SER 212 N -1.07 0.30 -0.15 1.61 3.41 -1.26 -4.11 113.62 112.34 1jkj n SER 212 Ca 0.00 -1.90 -0.07 0.00 -0.26 0.00 0.00 58.87 56.64 1jkj n SER 212 Cb 0.00 -0.17 0.10 0.00 -0.26 0.00 0.00 64.21 63.87 1jkj n SER 212 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jkj h ALA 213 N 0.39 0.96 -0.35 7.33 0.00 -1.98 -1.58 119.26 124.04 1jkj h ALA 213 Ca -0.14 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 1jkj h ALA 213 Cb 1.56 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1jkj h ALA 213 CO 0.01 0.62 -0.09 0.93 0.00 0.00 0.00 179.25 180.73 1jkj h GLU 214 N 0.84 0.67 -0.78 0.00 3.07 -1.91 0.24 114.58 116.71 1jkj h GLU 214 Ca 0.15 -0.26 0.02 0.00 -0.50 0.00 0.00 59.36 58.77 1jkj h GLU 214 Cb 0.53 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.36 1jkj h GLU 214 CO 0.03 0.84 0.51 0.93 -1.40 0.00 0.00 179.01 179.91 1jkj h GLU 215 N 0.46 0.98 -0.11 2.33 3.07 -1.84 0.14 114.58 119.61 1jkj h GLU 215 Ca 0.09 -0.06 -0.13 0.00 -0.50 0.00 0.00 59.36 58.75 1jkj h GLU 215 Cb 0.59 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 1jkj h GLU 215 CO 0.03 0.65 -0.51 0.93 -1.40 0.00 0.00 179.01 178.71 1jkj h GLU 216 N 1.01 0.31 -0.09 2.33 5.08 -1.09 -1.92 114.58 120.21 1jkj h GLU 216 Ca 0.30 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 1jkj h GLU 216 Cb -0.06 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1jkj h GLU 216 CO -0.09 0.75 -0.38 0.00 -1.00 0.00 0.00 179.01 178.29 1jkj h ALA 217 N 1.22 1.20 0.80 3.43 0.00 0.46 -1.02 119.26 125.34 1jkj h ALA 217 Ca 0.01 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1jkj h ALA 217 Cb 0.99 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.70 1jkj h ALA 217 CO 0.08 0.55 -0.38 0.00 0.00 0.00 0.00 179.25 179.50 1jkj h ALA 218 N 1.45 -1.14 -0.98 0.00 0.00 -0.13 0.59 119.26 119.06 1jkj h ALA 218 Ca 0.02 -0.23 0.19 0.00 0.00 0.00 0.00 54.91 54.89 1jkj h ALA 218 Cb 0.75 0.41 -0.09 0.00 0.00 0.00 0.00 17.79 18.86 1jkj h ALA 218 CO 0.06 -1.06 0.61 0.00 0.00 0.00 0.00 179.25 178.86 1jkj h ALA 219 N -1.37 1.86 -0.14 0.00 0.00 -1.30 0.15 119.26 118.45 1jkj h ALA 219 Ca -0.11 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1jkj h ALA 219 Cb 0.82 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1jkj h ALA 219 CO 0.18 -0.20 -0.02 -0.92 0.00 0.00 0.00 179.25 178.29 1jkj h TYR 220 N 0.65 0.30 -0.33 0.00 3.20 -0.64 -2.99 116.97 117.15 1jkj h TYR 220 Ca 0.54 -0.06 0.06 0.00 3.14 0.00 0.00 58.73 62.41 1jkj h TYR 220 Cb 0.99 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 39.13 1jkj h TYR 220 CO -0.00 0.52 -0.02 0.82 -1.64 0.00 0.00 178.16 177.84 1jkj h ILE 221 N -0.02 0.73 -0.55 1.81 2.04 0.21 0.23 117.51 121.96 1jkj h ILE 221 Ca 0.04 -0.02 0.11 0.00 1.00 0.00 0.00 64.86 65.99 1jkj h ILE 221 Cb 0.42 0.66 -0.11 0.00 -0.74 0.00 0.00 36.82 37.05 1jkj h ILE 221 CO 0.01 0.01 -0.14 0.50 0.00 0.00 0.00 178.15 178.53 1jkj h LYS 222 N 0.07 -0.00 0.00 2.37 3.64 -1.18 0.12 116.57 121.59 1jkj h LYS 222 Ca 0.16 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.38 1jkj h LYS 222 Cb 0.23 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1jkj h LYS 222 CO -0.29 -0.00 -1.24 1.49 -2.27 0.00 0.00 179.45 177.14 1jkj h GLU 223 N -0.00 0.00 0.00 1.90 4.81 -1.34 -3.41 114.58 116.54 1jkj h GLU 223 Ca 0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1jkj h GLU 223 Cb 0.41 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1jkj h GLU 223 CO -0.57 0.36 0.00 0.72 -0.73 0.00 0.00 179.01 178.79 1jkj n HIS 224 N -2.97 0.00 -4.66 0.92 8.25 0.77 -5.01 115.22 112.52 1jkj n HIS 224 Ca -0.07 -0.05 -0.33 0.00 -0.26 0.00 0.00 57.72 57.01 1jkj n HIS 224 Cb 0.83 -0.01 -0.15 0.00 1.12 0.00 0.00 29.99 31.78 1jkj n HIS 224 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1jkj s VAL 225 N -0.10 2.59 -0.19 1.59 1.01 0.41 -4.98 120.40 120.72 1jkj s VAL 225 Ca 0.00 -0.81 0.13 0.00 0.00 0.00 0.00 61.98 61.30 1jkj s VAL 225 Cb 0.00 -2.07 -0.20 0.00 0.00 0.00 0.00 36.38 34.10 1jkj s VAL 225 CO 0.00 0.53 -0.00 0.35 0.00 0.00 0.00 175.10 175.97 1jkj n THR 226 N 3.91 1.24 -1.83 3.92 -2.24 -1.26 -4.70 114.28 113.33 1jkj n THR 226 Ca -0.19 -0.69 -0.37 0.00 -2.27 0.00 0.00 64.05 60.53 1jkj n THR 226 Cb 0.52 -0.71 0.06 0.00 -2.10 0.00 0.00 70.33 68.10 1jkj n THR 226 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1jkj s LYS 227 N -2.44 2.71 0.35 -0.78 1.02 -1.26 -4.93 119.74 114.42 1jkj s LYS 227 Ca -0.14 2.00 -0.27 0.00 0.02 0.00 0.00 55.97 57.58 1jkj s LYS 227 Cb 0.06 -1.89 -0.09 0.00 -0.52 0.00 0.00 37.83 35.38 1jkj s LYS 227 CO 0.68 -1.46 1.24 -1.25 -0.92 0.00 0.00 175.35 173.64 1jkj s PRO 228 N -3.34 4.25 -0.10 -1.68 0.04 -1.26 -4.86 135.00 128.06 1jkj s PRO 228 Ca 0.81 2.06 0.03 0.00 0.04 0.00 0.00 61.00 63.93 1jkj s PRO 228 Cb -0.36 -2.93 0.01 0.00 0.04 0.00 0.00 34.50 31.26 1jkj s PRO 228 CO 0.38 -0.22 -0.19 0.08 0.04 0.00 0.00 177.00 177.09 1jkj s VAL 229 N -1.23 1.69 -0.13 -0.36 1.01 -1.26 -0.51 120.40 119.61 1jkj s VAL 229 Ca 0.52 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 1jkj s VAL 229 Cb -0.36 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 1jkj s VAL 229 CO 0.47 0.48 -0.09 -0.69 0.00 0.00 0.00 175.10 175.27 1jkj s VAL 230 N 0.59 3.43 0.15 2.92 1.01 0.10 -0.69 120.40 127.91 1jkj s VAL 230 Ca -0.14 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.38 1jkj s VAL 230 Cb -0.17 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1jkj s VAL 230 CO 0.05 0.52 -0.17 -0.83 0.00 0.00 0.00 175.10 174.67 1jkj s GLY 231 N 0.18 1.28 -0.10 4.51 0.00 0.10 -0.87 107.32 112.42 1jkj s GLY 231 Ca -0.05 -1.42 -0.06 0.00 0.00 0.00 0.00 44.72 43.19 1jkj s GLY 231 CO 0.04 -1.47 0.24 -0.47 0.00 0.00 0.00 173.10 171.44 1jkj s TYR 232 N -2.08 -0.32 -0.17 1.90 5.04 -0.62 -1.51 117.35 119.59 1jkj s TYR 232 Ca 0.13 0.76 0.00 0.00 -2.44 0.00 0.00 57.07 55.52 1jkj s TYR 232 Cb -0.05 0.06 0.00 0.00 0.35 0.00 0.00 41.96 42.32 1jkj s TYR 232 CO 0.05 -0.21 -0.16 0.42 -1.34 0.00 0.00 175.55 174.31 1jkj s ILE 233 N 1.01 2.52 0.22 3.14 -1.09 -1.26 -1.23 121.20 124.50 1jkj s ILE 233 Ca -0.07 -0.81 -0.10 0.00 -2.23 0.00 0.00 60.65 57.44 1jkj s ILE 233 Cb -0.08 -2.07 -0.07 0.00 -1.58 0.00 0.00 42.46 38.66 1jkj s ILE 233 CO -0.07 0.51 0.54 0.00 -1.23 0.00 0.00 174.94 174.70 1jkj s ALA 234 N 1.02 3.58 0.00 9.38 0.00 -0.48 -4.55 121.76 130.71 1jkj s ALA 234 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1jkj s ALA 234 Cb -0.15 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.54 1jkj s ALA 234 CO -0.04 0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.64 1jkj n GLY 235 N -0.02 1.42 0.37 0.00 0.00 -1.26 -2.24 105.19 103.46 1jkj n GLY 235 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.05 1jkj n GLY 235 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1jkj h VAL 236 N 0.00 1.08 -0.44 1.61 2.07 -1.94 -1.70 116.25 116.93 1jkj h VAL 236 Ca 0.00 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1jkj h VAL 236 Cb 0.00 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.71 1jkj h VAL 236 CO 0.00 0.19 0.00 0.35 0.02 0.00 0.00 177.57 178.13 1jkj n THR 237 N -4.48 1.47 -2.97 2.57 -2.24 -1.26 -4.89 114.28 102.47 1jkj n THR 237 Ca 0.14 -0.86 -0.40 0.00 -2.27 0.00 0.00 64.05 60.65 1jkj n THR 237 Cb 0.18 -0.10 -0.05 0.00 -2.10 0.00 0.00 70.33 68.26 1jkj n THR 237 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jkj s ALA 238 N -1.89 3.38 1.02 6.98 0.00 -0.64 -5.05 121.76 125.56 1jkj s ALA 238 Ca 0.36 0.31 -0.12 0.00 0.00 0.00 0.00 51.96 52.52 1jkj s ALA 238 Cb 0.25 -3.00 0.20 0.00 0.00 0.00 0.00 23.12 20.57 1jkj s ALA 238 CO 0.15 0.12 1.08 -1.25 0.00 0.00 0.00 175.76 175.86 1jkj s PRO 239 N -0.34 0.22 0.35 0.00 0.04 -1.26 -5.00 135.00 129.00 1jkj s PRO 239 Ca 0.38 0.91 -0.08 0.00 0.04 0.00 0.00 61.00 62.26 1jkj s PRO 239 Cb -0.21 -1.68 -0.06 0.00 0.04 0.00 0.00 34.50 32.59 1jkj s PRO 239 CO 0.24 -2.98 0.66 0.15 0.04 0.00 0.00 177.00 175.11 1jkj s LYS 240 N -4.70 3.70 -1.48 4.56 1.02 -1.26 -4.28 119.74 117.30 1jkj s LYS 240 Ca 0.66 0.23 -0.02 0.00 0.02 0.00 0.00 55.97 56.86 1jkj s LYS 240 Cb -0.22 -2.52 0.01 0.00 -0.52 0.00 0.00 37.83 34.59 1jkj s LYS 240 CO 0.60 0.08 0.21 0.41 -0.92 0.00 0.00 175.35 175.73 1jkj n GLY 241 N -1.16 -0.50 2.93 -3.33 0.00 0.39 -4.93 105.19 98.58 1jkj n GLY 241 Ca 0.00 0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 1jkj n GLY 241 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jkj s LYS 242 N -5.32 1.26 0.06 1.61 2.36 -1.26 -4.95 119.74 113.49 1jkj s LYS 242 Ca 0.12 -0.22 -0.31 0.00 -2.55 0.00 0.00 55.97 53.02 1jkj s LYS 242 Cb -0.06 -1.21 -0.07 0.00 -1.05 0.00 0.00 37.83 35.44 1jkj s LYS 242 CO 0.15 -0.11 1.52 0.50 1.55 0.00 0.00 175.35 178.97 1jkj s ARG 243 N 1.12 4.24 -1.09 4.03 3.52 -1.26 -4.46 118.95 125.05 1jkj s ARG 243 Ca -0.07 2.17 -0.06 0.00 -0.13 0.00 0.00 55.73 57.64 1jkj s ARG 243 Cb -0.14 -3.51 0.29 0.00 -1.56 0.00 0.00 34.95 30.03 1jkj s ARG 243 CO -0.01 -0.63 1.27 -1.33 -0.81 0.00 0.00 175.30 173.79 1jkj n MET 244 N 5.20 3.93 0.00 5.12 2.81 0.11 -4.89 117.12 129.39 1jkj n MET 244 Ca 0.14 -4.51 0.00 0.00 -1.81 0.00 0.00 57.70 51.53 1jkj n MET 244 Cb 0.42 -2.53 0.00 0.00 -0.71 0.00 0.00 33.22 30.40 1jkj n MET 244 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jkj n GLY 245 N 2.04 2.23 3.72 3.03 0.00 -1.26 -4.75 105.19 110.20 1jkj n GLY 245 Ca 0.25 0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.90 1jkj n GLY 245 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jkj n HIS 246 N 0.00 2.68 -0.29 1.61 8.25 -1.26 -4.88 115.22 121.33 1jkj n HIS 246 Ca 0.00 0.27 0.08 0.00 -0.26 0.00 0.00 57.72 57.81 1jkj n HIS 246 Cb 0.00 -2.57 0.23 0.00 1.12 0.00 0.00 29.99 28.77 1jkj n HIS 246 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jkj h ALA 247 N 4.89 1.25 -0.00 -1.41 0.00 -1.90 -0.37 119.26 121.72 1jkj h ALA 247 Ca -0.46 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1jkj h ALA 247 Cb 1.23 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1jkj h ALA 247 CO 0.80 -0.16 -0.00 0.41 0.00 0.00 0.00 179.25 180.30 1jkj n GLY 248 N -1.33 -0.97 2.99 0.00 0.00 0.73 -4.44 105.19 102.17 1jkj n GLY 248 Ca 0.17 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1jkj n GLY 248 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jkj n ALA 249 N -0.96 5.06 -3.45 4.61 0.00 -0.15 -4.44 120.51 121.19 1jkj n ALA 249 Ca 0.22 -4.34 -0.12 0.00 0.00 0.00 0.00 53.44 49.20 1jkj n ALA 249 Cb 0.15 -2.95 -0.11 0.00 0.00 0.00 0.00 19.45 16.54 1jkj n ALA 249 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1jkj s ILE 250 N 0.39 -0.02 -0.50 0.00 2.07 -1.26 -0.71 121.20 121.17 1jkj s ILE 250 Ca 0.40 0.06 -0.21 0.00 -1.41 0.00 0.00 60.65 59.48 1jkj s ILE 250 Cb 0.07 -0.47 0.04 0.00 0.13 0.00 0.00 42.46 42.22 1jkj s ILE 250 CO 0.01 0.02 0.74 -0.63 -1.91 0.00 0.00 174.94 173.17 1jkj s ILE 251 N 0.72 4.70 -0.16 2.00 1.01 -1.26 -3.75 121.20 124.46 1jkj s ILE 251 Ca -0.04 -0.03 -0.14 0.00 0.00 0.00 0.00 60.65 60.44 1jkj s ILE 251 Cb -0.06 -4.35 -0.05 0.00 0.01 0.00 0.00 42.46 38.02 1jkj s ILE 251 CO -0.05 -0.83 0.30 0.00 0.00 0.00 0.00 174.94 174.36 1jkj s ALA 252 N 3.12 3.59 -1.46 9.38 0.00 -1.24 -0.46 121.76 134.69 1jkj s ALA 252 Ca 0.23 -0.44 -0.08 0.00 0.00 0.00 0.00 51.96 51.67 1jkj s ALA 252 Cb -0.15 -2.40 0.03 0.00 0.00 0.00 0.00 23.12 20.60 1jkj s ALA 252 CO 0.17 0.10 0.86 0.41 0.00 0.00 0.00 175.76 177.30 1jkj n GLY 253 N 3.34 -0.53 4.06 0.00 0.00 -1.26 -2.32 105.19 108.48 1jkj n GLY 253 Ca -0.12 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1jkj n GLY 253 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jkj n GLY 254 N -1.70 0.59 3.91 -0.02 0.00 -1.26 -4.97 105.19 101.74 1jkj n GLY 254 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1jkj n GLY 254 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jkj s LYS 255 N -0.35 3.60 0.00 1.61 3.01 -0.98 -4.62 119.74 122.01 1jkj s LYS 255 Ca 0.00 -0.10 0.00 0.00 -1.01 0.00 0.00 55.97 54.86 1jkj s LYS 255 Cb 0.00 -2.73 0.00 0.00 -1.01 0.00 0.00 37.83 34.09 1jkj s LYS 255 CO 0.00 0.30 0.00 0.41 0.51 0.00 0.00 175.35 176.57 1jkj n GLY 256 N -0.71 0.86 3.88 -3.33 0.00 -1.26 -3.67 105.19 100.97 1jkj n GLY 256 Ca -0.03 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 1jkj n GLY 256 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jkj s THR 257 N -2.53 4.39 0.19 2.61 -4.23 -1.26 -0.76 115.64 114.05 1jkj s THR 257 Ca 0.00 0.66 -0.10 0.00 -1.18 0.00 0.00 61.69 61.06 1jkj s THR 257 Cb 0.00 -3.75 0.11 0.00 1.34 0.00 0.00 72.50 70.20 1jkj s THR 257 CO 0.00 -0.95 1.76 0.00 -0.54 0.00 0.00 174.62 174.89 1jkj h ALA 258 N -0.32 0.89 -0.32 3.99 0.00 -1.87 -2.00 119.26 119.62 1jkj h ALA 258 Ca -0.45 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1jkj h ALA 258 Cb 1.21 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1jkj h ALA 258 CO 0.62 0.50 0.21 -0.44 0.00 0.00 0.00 179.25 180.14 1jkj h ASP 259 N 0.97 0.37 -0.97 0.00 3.32 -1.91 0.21 116.42 118.41 1jkj h ASP 259 Ca 0.23 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.33 1jkj h ASP 259 Cb 0.18 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.58 1jkj h ASP 259 CO -0.02 0.27 0.63 -0.33 -1.72 0.00 0.00 179.24 178.07 1jkj h GLU 260 N 0.44 1.13 -0.34 3.56 5.08 -1.90 0.14 114.58 122.69 1jkj h GLU 260 Ca 0.12 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.26 1jkj h GLU 260 Cb -0.05 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 28.94 1jkj h GLU 260 CO -0.03 0.75 -0.39 0.87 -1.00 0.00 0.00 179.01 179.21 1jkj h LYS 261 N 1.17 0.86 -0.09 2.33 1.57 -0.55 -0.60 116.57 121.25 1jkj h LYS 261 Ca 0.41 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1jkj h LYS 261 Cb 0.11 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1jkj h LYS 261 CO -0.15 1.11 0.06 0.74 -0.57 0.00 0.00 179.45 180.65 1jkj h PHE 262 N 0.65 0.12 -0.56 -1.35 0.04 0.10 -1.37 116.94 114.56 1jkj h PHE 262 Ca 0.05 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.86 1jkj h PHE 262 Cb 0.98 -0.04 -0.04 0.00 2.20 0.00 0.00 35.95 39.05 1jkj h PHE 262 CO 0.07 0.09 0.30 0.00 -0.60 0.00 0.00 178.31 178.17 1jkj h ALA 263 N 1.02 0.72 -0.42 2.45 0.00 -0.64 -0.69 119.26 121.70 1jkj h ALA 263 Ca 0.03 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1jkj h ALA 263 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1jkj h ALA 263 CO -0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 179.25 179.20 1jkj h ALA 264 N 1.28 1.18 -0.24 0.00 0.00 -0.77 -1.49 119.26 119.23 1jkj h ALA 264 Ca 0.24 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1jkj h ALA 264 Cb 0.11 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1jkj h ALA 264 CO -0.15 0.53 -0.28 -0.07 0.00 0.00 0.00 179.25 179.29 1jkj h LEU 265 N 0.64 0.65 -0.23 0.00 3.38 -0.58 -2.45 115.31 116.72 1jkj h LEU 265 Ca 0.13 -0.49 0.03 0.00 0.09 0.00 0.00 57.88 57.63 1jkj h LEU 265 Cb 0.44 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1jkj h LEU 265 CO 0.02 1.02 0.05 -0.33 0.09 0.00 0.00 178.44 179.28 1jkj h GLU 266 N 0.31 0.13 -0.92 1.13 5.08 -0.96 0.99 114.58 120.34 1jkj h GLU 266 Ca 0.03 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.49 1jkj h GLU 266 Cb 0.85 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.00 1jkj h GLU 266 CO 0.07 0.09 0.59 0.00 -1.00 0.00 0.00 179.01 178.76 1jkj h ALA 267 N 1.17 1.63 -0.00 3.43 0.00 -1.25 0.23 119.26 124.47 1jkj h ALA 267 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1jkj h ALA 267 Cb 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1jkj h ALA 267 CO -0.14 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1jkj n ALA 268 N -2.40 2.67 -0.54 0.00 0.00 -0.64 -4.86 120.51 114.73 1jkj n ALA 268 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1jkj n ALA 268 Cb 0.33 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1jkj n ALA 268 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jkj n GLY 269 N 0.96 0.69 3.79 0.00 0.00 0.82 -4.14 105.19 107.31 1jkj n GLY 269 Ca 0.21 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 1jkj n GLY 269 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jkj s VAL 270 N -2.00 4.34 -0.87 1.61 1.01 0.25 -4.87 120.40 119.86 1jkj s VAL 270 Ca 0.00 1.63 -0.24 0.00 0.00 0.00 0.00 61.98 63.36 1jkj s VAL 270 Cb 0.00 -3.93 0.05 0.00 0.00 0.00 0.00 36.38 32.50 1jkj s VAL 270 CO 0.00 0.12 1.32 -0.75 0.00 0.00 0.00 175.10 175.79 1jkj s LYS 271 N -2.14 3.38 0.45 2.72 2.36 0.13 -4.21 119.74 122.44 1jkj s LYS 271 Ca 0.49 -0.76 -0.09 0.00 -2.55 0.00 0.00 55.97 53.06 1jkj s LYS 271 Cb -0.17 -4.75 -0.05 0.00 -1.05 0.00 0.00 37.83 31.81 1jkj s LYS 271 CO 0.22 -2.13 0.81 0.95 1.55 0.00 0.00 175.35 176.75 1jkj s THR 272 N 5.10 4.81 -0.05 3.43 -4.23 -1.26 -0.72 115.64 122.72 1jkj s THR 272 Ca 0.39 0.54 -0.00 0.00 -1.18 0.00 0.00 61.69 61.43 1jkj s THR 272 Cb -0.05 -3.79 0.03 0.00 1.34 0.00 0.00 72.50 70.03 1jkj s THR 272 CO 0.02 -0.69 -0.01 0.54 -0.54 0.00 0.00 174.62 173.94 1jkj s VAL 273 N -2.58 0.32 -0.07 2.29 0.11 -0.57 -4.87 120.40 115.03 1jkj s VAL 273 Ca 0.51 0.06 0.22 0.00 -2.93 0.00 0.00 61.98 59.84 1jkj s VAL 273 Cb -0.10 -0.43 0.22 0.00 -1.53 0.00 0.00 36.38 34.54 1jkj s VAL 273 CO 0.38 0.20 1.69 0.03 -3.33 0.00 0.00 175.10 174.07 1jkj h ARG 274 N 7.62 0.00 -5.77 1.54 2.47 -1.97 -3.43 114.38 114.84 1jkj h ARG 274 Ca -0.32 0.00 -0.67 0.00 -1.26 0.00 0.00 59.98 57.72 1jkj h ARG 274 Cb 1.14 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 29.21 1jkj h ARG 274 CO 0.39 0.23 -0.76 0.45 0.56 0.00 0.00 179.97 180.84 1jkj s SER 275 N -6.22 4.06 0.21 7.04 0.15 -1.26 -4.97 113.70 112.70 1jkj s SER 275 Ca 0.03 -0.26 0.20 0.00 0.70 0.00 0.00 55.95 56.62 1jkj s SER 275 Cb 0.08 -1.28 0.88 0.00 -1.71 0.00 0.00 66.02 64.00 1jkj s SER 275 CO 0.66 0.25 1.60 0.00 1.20 0.00 0.00 173.24 176.96 1jkj n LEU 276 N 2.96 0.48 0.06 3.45 -0.00 -1.26 -1.61 117.00 121.07 1jkj n LEU 276 Ca -0.18 0.64 0.12 0.00 -0.00 0.00 0.00 56.01 56.60 1jkj n LEU 276 Cb 0.52 -0.61 0.48 0.00 -0.00 0.00 0.00 43.42 43.82 1jkj n LEU 276 CO 0.28 -0.58 0.89 0.00 -0.00 0.00 0.00 177.39 177.98 1jkj n ALA 277 N -1.71 2.14 -0.82 1.47 0.00 -1.26 -3.55 120.51 116.79 1jkj n ALA 277 Ca 0.01 -0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.49 1jkj n ALA 277 Cb 0.16 -1.43 0.35 0.00 0.00 0.00 0.00 19.45 18.54 1jkj n ALA 277 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jkj n ASP 278 N -1.88 4.99 0.02 0.00 8.00 -0.64 -4.55 116.55 122.49 1jkj n ASP 278 Ca 0.05 -2.78 -0.12 0.00 0.71 0.00 0.00 54.79 52.65 1jkj n ASP 278 Cb 0.34 -0.61 -0.08 0.00 -0.02 0.00 0.00 41.12 40.74 1jkj n ASP 278 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1jkj h ILE 279 N 3.51 1.18 -0.35 0.53 2.04 -1.74 -1.33 117.51 121.36 1jkj h ILE 279 Ca 0.00 -0.54 0.05 0.00 1.00 0.00 0.00 64.86 65.37 1jkj h ILE 279 Cb 1.68 1.55 -0.05 0.00 -0.74 0.00 0.00 36.82 39.26 1jkj h ILE 279 CO 0.35 0.14 0.05 1.23 0.00 0.00 0.00 178.15 179.92 1jkj h GLY 280 N -0.24 0.39 0.50 5.37 0.00 -1.84 -1.24 103.07 106.01 1jkj h GLY 280 Ca -0.00 -0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.38 1jkj h GLY 280 CO 0.00 -0.04 0.03 0.83 0.00 0.00 0.00 176.54 177.36 1jkj h GLU 281 N 0.16 0.13 -0.23 4.80 4.39 -1.82 -1.48 114.58 120.54 1jkj h GLU 281 Ca 0.17 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 1jkj h GLU 281 Cb 0.20 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1jkj h GLU 281 CO -0.24 0.08 0.09 0.00 -1.16 0.00 0.00 179.01 177.79 1jkj h ALA 282 N 1.29 1.73 -0.16 3.43 0.00 -0.61 -1.64 119.26 123.30 1jkj h ALA 282 Ca 0.17 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1jkj h ALA 282 Cb 0.22 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1jkj h ALA 282 CO -0.26 0.22 -0.18 -0.07 0.00 0.00 0.00 179.25 178.96 1jkj h LEU 283 N 0.32 0.43 -0.73 0.00 3.38 -0.65 -2.74 115.31 115.32 1jkj h LEU 283 Ca 0.08 -0.49 0.13 0.00 0.09 0.00 0.00 57.88 57.69 1jkj h LEU 283 Cb 0.07 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 40.61 1jkj h LEU 283 CO -0.01 0.84 0.29 0.50 0.09 0.00 0.00 178.44 180.14 1jkj h LYS 284 N 0.03 0.43 0.18 1.13 3.64 -0.70 -0.57 116.57 120.71 1jkj h LYS 284 Ca 0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jkj h LYS 284 Cb 0.72 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 1jkj h LYS 284 CO 0.04 0.28 -0.39 1.15 -2.27 0.00 0.00 179.45 178.26 1jkj h THR 285 N 0.44 0.00 0.00 1.00 2.02 -1.20 -2.84 112.91 112.33 1jkj h THR 285 Ca 0.39 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.57 1jkj h THR 285 Cb 0.57 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1jkj h THR 285 CO -0.38 0.00 0.00 1.33 0.37 0.00 0.00 175.52 176.84 1jkj n VAL 286 N -4.71 0.00 0.36 3.16 0.24 -0.85 -5.12 118.33 111.41 1jkj n VAL 286 Ca -0.07 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.27 1jkj n VAL 286 Cb 0.32 -0.07 0.04 0.00 -1.47 0.00 0.00 33.84 32.66 1jkj n VAL 286 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87