#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iqx n ALA 3 N 0.00 0.11 -3.23 0.00 0.00 -1.26 -4.85 120.51 111.28 2iqx n ALA 3 Ca 0.00 0.10 -0.46 0.00 0.00 0.00 0.00 53.44 53.08 2iqx n ALA 3 Cb 0.00 -2.08 -0.02 0.00 0.00 0.00 0.00 19.45 17.35 2iqx n ALA 3 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2iqx s ASP 4 N -1.00 6.76 0.58 0.00 3.68 -1.26 -4.81 116.67 120.63 2iqx s ASP 4 Ca 0.69 -2.58 0.32 0.00 2.13 0.00 0.00 52.55 53.11 2iqx s ASP 4 Cb -0.48 -2.26 1.82 0.00 -1.45 0.00 0.00 42.92 40.55 2iqx s ASP 4 CO 0.52 -0.68 2.22 0.40 0.13 0.00 0.00 175.17 177.76 2iqx h ILE 5 N 4.98 0.42 -0.11 4.11 2.04 -1.95 -1.76 117.51 125.24 2iqx h ILE 5 Ca 0.13 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.84 2iqx h ILE 5 Cb 1.03 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 38.22 2iqx h ILE 5 CO 0.85 0.03 0.17 0.77 0.00 0.00 0.00 178.15 179.97 2iqx h SER 6 N 0.00 0.00 -0.26 1.72 4.64 -1.97 0.69 113.55 118.37 2iqx h SER 6 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2iqx h SER 6 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2iqx h SER 6 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2iqx n GLN 7 N -3.59 1.60 -0.01 4.77 1.13 -0.66 -4.44 117.38 116.18 2iqx n GLN 7 Ca -0.00 -0.93 -0.09 0.00 -1.94 0.00 0.00 57.00 54.04 2iqx n GLN 7 Cb 0.27 -1.21 -0.03 0.00 0.11 0.00 0.00 30.24 29.38 2iqx n GLN 7 CO 0.00 0.00 0.00 2.35 -1.44 0.00 0.00 177.06 177.97 2iqx h TRP 8 N 1.50 -0.69 -0.26 1.08 2.91 -1.03 -1.38 115.95 118.08 2iqx h TRP 8 Ca 0.00 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.05 2iqx h TRP 8 Cb 0.35 0.33 0.00 0.00 -0.51 0.00 0.00 29.16 29.33 2iqx h TRP 8 CO 0.17 -0.34 0.00 0.00 -1.03 0.00 0.00 178.44 177.25 2iqx n ALA 9 N -2.77 2.76 -1.00 2.65 0.00 -1.26 -1.41 120.51 119.48 2iqx n ALA 9 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.78 2iqx n ALA 9 Cb 0.29 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2iqx n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2iqx n GLY 10 N 0.60 0.58 0.37 0.00 0.00 -0.52 -4.58 105.19 101.64 2iqx n GLY 10 Ca 0.10 -1.37 0.08 0.00 0.00 0.00 0.00 46.02 44.83 2iqx n GLY 10 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2iqx h PRO 11 N 0.00 0.88 0.00 1.61 0.11 -1.89 0.62 132.00 133.33 2iqx h PRO 11 Ca 0.00 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 2iqx h PRO 11 Cb 0.00 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 30.91 2iqx h PRO 11 CO 0.00 0.58 -0.01 -0.07 -0.21 0.00 0.00 178.00 178.29 2iqx h LEU 12 N 0.91 0.00 -2.73 2.35 3.38 -1.84 -3.47 115.31 113.90 2iqx h LEU 12 Ca 0.46 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.91 2iqx h LEU 12 Cb 0.50 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2iqx h LEU 12 CO -0.22 0.01 -0.94 -1.20 0.09 0.00 0.00 178.44 176.18 2iqx n SER 13 N -3.21 -2.33 0.10 -0.43 7.64 0.21 -4.86 113.62 110.74 2iqx n SER 13 Ca -0.02 -1.11 0.12 0.00 1.01 0.00 0.00 58.87 58.86 2iqx n SER 13 Cb 0.15 -2.63 0.45 0.00 -1.01 0.00 0.00 64.21 61.17 2iqx n SER 13 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2iqx n LEU 14 N -4.51 0.56 0.29 -3.43 4.77 -0.50 -2.84 117.00 111.33 2iqx n LEU 14 Ca -0.21 0.61 0.19 0.00 -0.03 0.00 0.00 56.01 56.57 2iqx n LEU 14 Cb 0.64 -0.49 1.00 0.00 -2.33 0.00 0.00 43.42 42.23 2iqx n LEU 14 CO 0.74 -0.37 1.08 0.06 -1.33 0.00 0.00 177.39 177.57 2iqx h GLN 15 N 0.00 0.00 0.00 3.23 -0.00 -1.73 0.20 115.11 116.80 2iqx h GLN 15 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2iqx h GLN 15 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.94 2iqx h GLN 15 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 178.83 179.76 2iqx h GLU 16 N 0.00 0.00 0.00 0.06 5.08 -1.90 -3.26 114.58 114.56 2iqx h GLU 16 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 2iqx h GLU 16 Cb 0.07 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2iqx h GLU 16 CO 0.00 0.00 -1.62 0.28 -1.00 0.00 0.00 179.01 176.67 2iqx n VAL 17 N -2.85 1.45 -3.79 3.13 0.31 0.03 -5.06 118.33 111.55 2iqx n VAL 17 Ca -0.02 -0.08 -0.03 0.00 -0.01 0.00 0.00 64.34 64.20 2iqx n VAL 17 Cb 0.08 -2.09 -0.00 0.00 -0.91 0.00 0.00 33.84 30.92 2iqx n VAL 17 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2iqx s ASP 18 N -6.56 -0.11 0.69 4.52 -1.08 -1.05 -4.02 116.67 109.05 2iqx s ASP 18 Ca -0.31 -0.49 -0.17 0.00 -0.52 0.00 0.00 52.55 51.06 2iqx s ASP 18 Cb 0.08 0.49 0.01 0.00 -1.46 0.00 0.00 42.92 42.04 2iqx s ASP 18 CO 0.42 -0.92 1.20 -0.62 0.52 0.00 0.00 175.17 175.77 2iqx n GLU 19 N -0.54 0.83 -1.65 4.34 1.02 -1.26 -3.97 120.64 119.41 2iqx n GLU 19 Ca -0.05 0.34 -0.43 0.00 -0.02 0.00 0.00 57.16 57.00 2iqx n GLU 19 Cb 0.60 -2.44 -0.01 0.00 -0.02 0.00 0.00 31.44 29.58 2iqx n GLU 19 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2iqx n PRO 20 N -2.09 1.75 -1.30 3.49 -0.02 -1.26 -4.51 135.00 131.06 2iqx n PRO 20 Ca 0.15 0.61 -0.31 0.00 -2.02 0.00 0.00 63.50 61.93 2iqx n PRO 20 Cb 0.49 -2.10 0.09 0.00 -0.02 0.00 0.00 33.50 31.95 2iqx n PRO 20 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2iqx s PRO 21 N -1.75 2.29 0.29 0.52 0.02 -1.26 -4.54 135.00 130.56 2iqx s PRO 21 Ca 0.57 1.20 0.08 0.00 0.02 0.00 0.00 61.00 62.87 2iqx s PRO 21 Cb -0.62 -1.90 0.42 0.00 0.02 0.00 0.00 34.50 32.42 2iqx s PRO 21 CO 0.61 -1.62 1.66 1.96 -0.33 0.00 0.00 177.00 179.28 2iqx h GLN 22 N -1.03 0.13 -4.29 5.54 4.20 -1.23 -3.47 115.11 114.98 2iqx h GLN 22 Ca -0.44 -0.08 -0.16 0.00 0.06 0.00 0.00 58.65 58.04 2iqx h GLN 22 Cb 1.23 0.01 -0.17 0.00 0.30 0.00 0.00 27.48 28.85 2iqx h GLN 22 CO 0.51 0.61 -0.69 -1.01 -0.67 0.00 0.00 178.83 177.59 2iqx s HIS 23 N -3.91 0.55 0.15 2.96 3.76 -0.38 -4.99 115.29 113.42 2iqx s HIS 23 Ca -0.03 -0.89 -0.30 0.00 -0.15 0.00 0.00 55.06 53.68 2iqx s HIS 23 Cb 0.13 -0.37 -0.07 0.00 1.11 0.00 0.00 32.58 33.38 2iqx s HIS 23 CO 0.77 -0.28 1.15 0.00 -0.85 0.00 0.00 174.74 175.52 2iqx s ALA 24 N -3.20 3.39 -0.10 -1.40 0.00 -1.26 -1.75 121.76 117.44 2iqx s ALA 24 Ca 0.02 0.85 -0.22 0.00 0.00 0.00 0.00 51.96 52.61 2iqx s ALA 24 Cb 0.03 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 2iqx s ALA 24 CO -0.07 -0.31 0.65 -1.17 0.00 0.00 0.00 175.76 174.86 2iqx s LEU 25 N 0.06 4.28 -0.22 0.00 2.96 -0.84 -4.58 118.68 120.34 2iqx s LEU 25 Ca 0.53 1.06 -0.16 0.00 -0.22 0.00 0.00 54.13 55.34 2iqx s LEU 25 Cb -0.30 -2.98 -0.04 0.00 0.50 0.00 0.00 46.19 43.38 2iqx s LEU 25 CO 0.34 -0.12 0.41 -0.13 -1.32 0.00 0.00 176.35 175.53 2iqx s ARG 26 N 0.96 4.13 -0.10 1.98 0.52 0.44 -4.60 118.95 122.27 2iqx s ARG 26 Ca 0.34 0.19 0.04 0.00 -0.52 0.00 0.00 55.73 55.77 2iqx s ARG 26 Cb -0.17 -3.58 0.00 0.00 0.52 0.00 0.00 34.95 31.73 2iqx s ARG 26 CO 0.15 -0.13 -0.22 0.08 0.02 0.00 0.00 175.30 175.20 2iqx s VAL 27 N 1.61 1.93 -0.18 3.52 1.01 -1.26 -1.41 120.40 125.62 2iqx s VAL 27 Ca 0.19 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2iqx s VAL 27 Cb -0.15 -1.68 0.04 0.00 0.00 0.00 0.00 36.38 34.58 2iqx s VAL 27 CO 0.09 0.53 -0.09 -0.62 0.00 0.00 0.00 175.10 175.01 2iqx s ASP 28 N 0.46 3.09 -0.84 3.32 -1.08 0.51 -1.22 116.67 120.92 2iqx s ASP 28 Ca -0.17 -0.75 -0.10 0.00 -0.52 0.00 0.00 52.55 51.01 2iqx s ASP 28 Cb -0.17 -1.11 0.22 0.00 -1.46 0.00 0.00 42.92 40.39 2iqx s ASP 28 CO 0.07 -0.15 0.75 -0.31 0.52 0.00 0.00 175.17 176.05 2iqx s TYR 29 N 1.49 3.78 -0.65 -5.34 1.51 0.26 0.16 117.35 118.56 2iqx s TYR 29 Ca 0.00 -2.35 0.00 0.00 -1.01 0.00 0.00 57.07 53.71 2iqx s TYR 29 Cb -0.15 -3.64 0.00 0.00 -0.11 0.00 0.00 41.96 38.06 2iqx s TYR 29 CO -0.08 -0.93 0.00 0.41 -1.11 0.00 0.00 175.55 173.84 2iqx n GLY 30 N 3.52 -0.15 0.00 0.71 0.00 -1.26 -1.61 105.19 106.39 2iqx n GLY 30 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2iqx n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iqx n GLY 31 N -0.51 1.55 3.63 -0.02 0.00 -1.26 -5.10 105.19 103.47 2iqx n GLY 31 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 2iqx n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2iqx s VAL 32 N -0.92 5.12 -0.08 1.61 1.01 -0.63 -5.08 120.40 121.42 2iqx s VAL 32 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.08 2iqx s VAL 32 Cb 0.00 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 2iqx s VAL 32 CO 0.00 0.37 -0.06 0.28 0.00 0.00 0.00 175.10 175.69 2iqx s THR 33 N 1.00 3.81 -1.33 3.92 -1.32 -1.26 -0.58 115.64 119.89 2iqx s THR 33 Ca 0.06 -0.43 -0.10 0.00 -1.21 0.00 0.00 61.69 60.01 2iqx s THR 33 Cb -0.14 -2.57 0.13 0.00 -1.51 0.00 0.00 72.50 68.41 2iqx s THR 33 CO 0.04 0.59 2.01 0.52 -2.21 0.00 0.00 174.62 175.57 2iqx n VAL 34 N 2.28 4.20 -0.42 5.08 0.31 -0.36 -4.79 118.33 124.63 2iqx n VAL 34 Ca -0.18 -4.04 -0.09 0.00 -0.01 0.00 0.00 64.34 60.02 2iqx n VAL 34 Cb 0.53 -2.40 0.18 0.00 -0.91 0.00 0.00 33.84 31.24 2iqx n VAL 34 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2iqx n ASP 35 N 4.22 3.77 -3.67 4.52 5.75 -1.26 -4.53 116.55 125.34 2iqx n ASP 35 Ca 0.45 -2.92 -0.09 0.00 -0.01 0.00 0.00 54.79 52.21 2iqx n ASP 35 Cb 0.36 -0.69 -0.09 0.00 -1.03 0.00 0.00 41.12 39.67 2iqx n ASP 35 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2iqx s GLU 36 N -2.21 0.55 -0.30 0.11 2.02 -1.26 -4.21 118.70 113.40 2iqx s GLU 36 Ca 0.38 0.97 -0.28 0.00 0.02 0.00 0.00 54.97 56.06 2iqx s GLU 36 Cb 0.31 0.07 -0.04 0.00 0.10 0.00 0.00 34.13 34.58 2iqx s GLU 36 CO 0.09 -0.15 2.06 -1.17 0.02 0.00 0.00 175.26 176.11 2iqx s LEU 37 N 1.39 3.45 0.00 1.80 2.96 -1.26 -0.83 118.68 126.19 2iqx s LEU 37 Ca -0.09 1.54 0.00 0.00 -0.22 0.00 0.00 54.13 55.37 2iqx s LEU 37 Cb -0.07 -3.40 0.00 0.00 0.50 0.00 0.00 46.19 43.22 2iqx s LEU 37 CO -0.14 -1.95 0.00 0.61 -1.32 0.00 0.00 176.35 173.54 2iqx n GLY 38 N 5.65 0.83 3.62 7.98 0.00 0.28 -4.96 105.19 118.58 2iqx n GLY 38 Ca 0.27 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.78 2iqx n GLY 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2iqx n LYS 39 N -2.24 1.38 -2.98 1.61 4.81 -0.01 -3.89 118.16 116.84 2iqx n LYS 39 Ca 0.00 0.50 -0.41 0.00 -0.87 0.00 0.00 58.31 57.53 2iqx n LYS 39 Cb 0.00 -2.18 -0.05 0.00 0.02 0.00 0.00 35.03 32.83 2iqx n LYS 39 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2iqx s VAL 40 N 0.85 4.96 0.32 3.15 1.01 -1.26 -0.55 120.40 128.88 2iqx s VAL 40 Ca 0.84 1.50 0.07 0.00 0.00 0.00 0.00 61.98 64.39 2iqx s VAL 40 Cb -0.90 -4.07 -0.06 0.00 0.00 0.00 0.00 36.38 31.35 2iqx s VAL 40 CO 0.46 0.12 -0.04 -0.76 0.00 0.00 0.00 175.10 174.88 2iqx s LEU 41 N 1.65 2.57 0.16 3.92 1.43 0.42 -4.91 118.68 123.93 2iqx s LEU 41 Ca 0.36 -1.24 -0.07 0.00 -1.03 0.00 0.00 54.13 52.15 2iqx s LEU 41 Cb -0.17 -0.74 -0.06 0.00 0.03 0.00 0.00 46.19 45.25 2iqx s LEU 41 CO 0.14 -0.36 0.44 0.42 0.23 0.00 0.00 176.35 177.23 2iqx s THR 42 N -2.89 5.07 0.51 5.49 -4.23 -1.26 -4.21 115.64 114.12 2iqx s THR 42 Ca 0.32 0.25 0.25 0.00 -1.18 0.00 0.00 61.69 61.33 2iqx s THR 42 Cb 0.05 -3.63 0.41 0.00 1.34 0.00 0.00 72.50 70.67 2iqx s THR 42 CO 0.15 0.04 1.95 -0.65 -0.54 0.00 0.00 174.62 175.57 2iqx h PRO 43 N 2.86 0.09 -0.48 3.99 0.11 -1.85 -1.29 132.00 135.42 2iqx h PRO 43 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2iqx h PRO 43 Cb 1.17 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2iqx h PRO 43 CO 0.70 0.06 0.31 1.15 -0.21 0.00 0.00 178.00 180.02 2iqx h THR 44 N 0.09 1.13 0.00 -1.15 2.02 -1.93 -2.66 112.91 110.41 2iqx h THR 44 Ca 0.32 -0.24 -0.08 0.00 0.77 0.00 0.00 66.41 67.18 2iqx h THR 44 Cb 1.14 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 2iqx h THR 44 CO -0.03 0.12 -0.38 1.56 0.37 0.00 0.00 175.52 177.16 2iqx h GLN 45 N 0.66 0.00 -0.20 6.66 4.20 -1.62 -3.25 115.11 121.55 2iqx h GLN 45 Ca 0.18 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 2iqx h GLN 45 Cb -0.07 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2iqx h GLN 45 CO -0.04 0.38 -0.02 1.33 -0.67 0.00 0.00 178.83 179.82 2iqx n VAL 46 N -3.54 2.23 -0.17 -0.54 0.24 -1.03 -4.71 118.33 110.80 2iqx n VAL 46 Ca -0.00 -2.10 -0.03 0.00 -2.04 0.00 0.00 64.34 60.17 2iqx n VAL 46 Cb 0.51 -0.26 0.07 0.00 -1.47 0.00 0.00 33.84 32.69 2iqx n VAL 46 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 2iqx h MET 47 N 1.26 0.40 -6.26 7.34 4.05 -1.52 -3.39 114.93 116.82 2iqx h MET 47 Ca 0.03 -0.02 -0.47 0.00 -0.28 0.00 0.00 59.70 58.96 2iqx h MET 47 Cb 1.36 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 32.05 2iqx h MET 47 CO 0.19 0.26 -0.40 -0.80 0.23 0.00 0.00 176.91 176.39 2iqx s ASN 48 N -5.42 5.70 0.45 1.39 0.01 -1.26 -3.89 114.94 111.92 2iqx s ASN 48 Ca -0.13 -0.30 -0.23 0.00 -0.71 0.00 0.00 52.86 51.49 2iqx s ASN 48 Cb 0.15 -1.18 -0.10 0.00 0.41 0.00 0.00 41.25 40.53 2iqx s ASN 48 CO 0.73 -0.36 1.04 -1.14 -1.51 0.00 0.00 177.10 175.86 2iqx n ARG 49 N -1.50 1.36 -1.73 -0.60 0.63 -1.26 -4.89 116.66 108.68 2iqx n ARG 49 Ca -0.02 0.49 -0.42 0.00 -0.92 0.00 0.00 57.85 56.98 2iqx n ARG 49 Cb 0.59 -2.11 -0.01 0.00 0.45 0.00 0.00 32.46 31.38 2iqx n ARG 49 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 2iqx n PRO 50 N -0.05 2.34 0.17 -0.14 -0.02 -1.26 -4.83 135.00 131.21 2iqx n PRO 50 Ca 0.10 0.82 0.14 0.00 -2.02 0.00 0.00 63.50 62.53 2iqx n PRO 50 Cb 0.41 -2.47 0.48 0.00 -0.02 0.00 0.00 33.50 31.89 2iqx n PRO 50 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2iqx h SER 51 N 2.91 0.00 -4.17 2.55 4.64 -0.63 -3.46 113.55 115.39 2iqx h SER 51 Ca -0.48 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 60.90 2iqx h SER 51 Cb 1.27 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.13 2iqx h SER 51 CO 0.65 0.00 0.48 -0.55 -0.87 0.00 0.00 176.83 176.54 2iqx s SER 52 N -4.93 -0.42 0.05 4.97 0.15 -0.86 -4.97 113.70 107.69 2iqx s SER 52 Ca 0.05 0.50 0.01 0.00 0.70 0.00 0.00 55.95 57.21 2iqx s SER 52 Cb 0.09 0.40 -0.03 0.00 -1.71 0.00 0.00 66.02 64.77 2iqx s SER 52 CO 0.51 -0.36 -0.06 0.27 1.20 0.00 0.00 173.24 174.80 2iqx s ILE 53 N -0.99 0.42 0.11 6.45 -4.36 -1.26 -0.36 121.20 121.20 2iqx s ILE 53 Ca -0.03 -1.26 -0.25 0.00 -0.26 0.00 0.00 60.65 58.86 2iqx s ILE 53 Cb -0.01 -0.80 0.08 0.00 1.25 0.00 0.00 42.46 42.98 2iqx s ILE 53 CO 0.02 -0.56 0.68 -0.94 0.24 0.00 0.00 174.94 174.38 2iqx s SER 54 N -1.94 -0.52 -0.02 4.36 1.04 -0.50 -4.86 113.70 111.26 2iqx s SER 54 Ca -0.06 0.02 -0.26 0.00 0.48 0.00 0.00 55.95 56.13 2iqx s SER 54 Cb -0.05 0.54 0.06 0.00 0.10 0.00 0.00 66.02 66.66 2iqx s SER 54 CO -0.02 -0.86 0.57 -1.66 0.98 0.00 0.00 173.24 172.25 2iqx s TRP 55 N -3.50 -0.51 0.15 5.02 -2.14 -1.26 -0.42 118.94 116.28 2iqx s TRP 55 Ca 0.02 0.81 -0.31 0.00 2.66 0.00 0.00 56.10 59.27 2iqx s TRP 55 Cb -0.01 0.33 -0.10 0.00 -3.10 0.00 0.00 33.47 30.60 2iqx s TRP 55 CO -0.11 -0.57 1.55 -0.51 -2.66 0.00 0.00 176.95 174.64 2iqx s ASP 56 N -1.39 6.62 0.00 -2.66 1.01 -1.26 -1.99 116.67 117.00 2iqx s ASP 56 Ca -0.10 2.56 0.00 0.00 0.71 0.00 0.00 52.55 55.72 2iqx s ASP 56 Cb -0.01 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.33 2iqx s ASP 56 CO 0.06 -0.80 0.00 0.61 0.21 0.00 0.00 175.17 175.25 2iqx n GLY 57 N 3.73 0.75 3.75 0.21 0.00 -1.26 -4.96 105.19 107.41 2iqx n GLY 57 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2iqx n GLY 57 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2iqx n LEU 58 N 0.00 4.43 -4.07 0.99 -0.00 -0.84 -4.97 117.00 112.54 2iqx n LEU 58 Ca 0.00 1.19 -0.32 0.00 -0.00 0.00 0.00 56.01 56.88 2iqx n LEU 58 Cb 0.00 -1.59 -0.16 0.00 -0.00 0.00 0.00 43.42 41.67 2iqx n LEU 58 CO 0.00 0.06 -0.49 -0.62 -0.00 0.00 0.00 177.39 176.34 2iqx s ASP 59 N 0.09 3.57 0.00 1.45 -1.08 -1.26 -4.98 116.67 114.46 2iqx s ASP 59 Ca 0.58 -0.92 0.00 0.00 -0.52 0.00 0.00 52.55 51.69 2iqx s ASP 59 Cb -0.50 -1.43 0.00 0.00 -1.46 0.00 0.00 42.92 39.52 2iqx s ASP 59 CO 0.58 -0.09 0.93 -0.81 0.52 0.00 0.00 175.17 176.30 2iqx n PRO 60 N 4.58 0.00 -0.09 4.34 -0.04 -1.26 -1.74 135.00 140.79 2iqx n PRO 60 Ca -0.17 0.43 0.10 0.00 -0.04 0.00 0.00 63.50 63.82 2iqx n PRO 60 Cb 0.47 -1.51 0.13 0.00 -0.04 0.00 0.00 33.50 32.55 2iqx n PRO 60 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2iqx n GLY 61 N -1.43 1.11 3.65 0.55 0.00 -1.26 -4.33 105.19 103.47 2iqx n GLY 61 Ca 0.00 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 2iqx n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iqx s LYS 62 N -1.44 2.20 -0.06 1.61 1.02 -0.71 -5.02 119.74 117.35 2iqx s LYS 62 Ca 0.28 -1.56 -0.02 0.00 0.02 0.00 0.00 55.97 54.69 2iqx s LYS 62 Cb 0.18 -2.07 -0.04 0.00 -0.52 0.00 0.00 37.83 35.38 2iqx s LYS 62 CO 0.25 0.25 0.04 -0.51 -0.92 0.00 0.00 175.35 174.45 2iqx s LEU 63 N -3.71 3.74 0.07 3.17 1.43 -1.26 -2.06 118.68 120.05 2iqx s LEU 63 Ca 0.34 0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.60 2iqx s LEU 63 Cb -0.04 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 2iqx s LEU 63 CO 0.20 0.34 -0.05 -0.31 0.23 0.00 0.00 176.35 176.76 2iqx s TYR 64 N -1.01 0.68 -0.18 0.29 1.51 0.15 -1.39 117.35 117.40 2iqx s TYR 64 Ca 0.17 -0.85 -0.04 0.00 -1.01 0.00 0.00 57.07 55.34 2iqx s TYR 64 Cb -0.12 -0.43 -0.02 0.00 -0.11 0.00 0.00 41.96 41.29 2iqx s TYR 64 CO 0.07 -0.21 -0.03 0.99 -1.11 0.00 0.00 175.55 175.26 2iqx s THR 65 N -3.12 3.77 -0.12 -0.71 2.01 0.03 -1.11 115.64 116.40 2iqx s THR 65 Ca 0.04 -0.38 -0.01 0.00 0.31 0.00 0.00 61.69 61.64 2iqx s THR 65 Cb 0.02 -2.68 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 2iqx s THR 65 CO -0.05 0.46 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.05 2iqx s LEU 66 N 0.80 3.12 -0.02 4.42 2.96 0.15 -0.95 118.68 129.16 2iqx s LEU 66 Ca -0.01 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 2iqx s LEU 66 Cb -0.14 -1.72 0.01 0.00 0.50 0.00 0.00 46.19 44.84 2iqx s LEU 66 CO 0.02 0.24 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.56 2iqx s VAL 67 N -0.06 0.37 -0.17 1.68 1.01 0.28 -1.12 120.40 122.39 2iqx s VAL 67 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2iqx s VAL 67 Cb -0.13 -0.37 0.02 0.00 0.00 0.00 0.00 36.38 35.90 2iqx s VAL 67 CO 0.03 0.14 -0.20 -0.22 0.00 0.00 0.00 175.10 174.85 2iqx s LEU 68 N 0.35 2.09 0.05 3.92 2.96 -0.69 -0.75 118.68 126.61 2iqx s LEU 68 Ca -0.04 -0.63 0.03 0.00 -0.22 0.00 0.00 54.13 53.28 2iqx s LEU 68 Cb -0.07 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 2iqx s LEU 68 CO -0.00 0.01 -0.10 0.28 -1.32 0.00 0.00 176.35 175.21 2iqx s THR 69 N 1.22 0.76 -0.30 3.68 -1.32 -0.54 -0.86 115.64 118.28 2iqx s THR 69 Ca 0.03 -1.17 0.01 0.00 -1.21 0.00 0.00 61.69 59.35 2iqx s THR 69 Cb -0.13 -0.79 0.06 0.00 -1.51 0.00 0.00 72.50 70.14 2iqx s THR 69 CO -0.11 -0.32 -0.03 -0.62 -2.21 0.00 0.00 174.62 171.33 2iqx s ASP 70 N -1.64 4.71 0.06 8.08 2.15 0.13 -0.21 116.67 129.95 2iqx s ASP 70 Ca -0.07 -1.50 0.20 0.00 0.43 0.00 0.00 52.55 51.61 2iqx s ASP 70 Cb -0.10 -1.64 0.81 0.00 -0.30 0.00 0.00 42.92 41.69 2iqx s ASP 70 CO 0.01 -0.26 1.62 -0.81 -0.17 0.00 0.00 175.17 175.55 2iqx n PRO 71 N 4.49 0.05 -2.37 4.34 -0.04 -1.26 0.02 135.00 140.23 2iqx n PRO 71 Ca -0.11 0.24 -0.40 0.00 -0.04 0.00 0.00 63.50 63.19 2iqx n PRO 71 Cb 0.42 -1.59 0.03 0.00 -0.04 0.00 0.00 33.50 32.32 2iqx n PRO 71 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2iqx n ASP 72 N -1.69 7.40 -4.40 3.54 8.00 -1.26 -4.48 116.55 123.66 2iqx n ASP 72 Ca 0.04 -3.75 -0.36 0.00 0.71 0.00 0.00 54.79 51.43 2iqx n ASP 72 Cb 0.23 -1.12 -0.13 0.00 -0.02 0.00 0.00 41.12 40.07 2iqx n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2iqx s ALA 73 N -4.23 3.04 -1.13 2.24 0.00 -1.26 -2.18 121.76 118.24 2iqx s ALA 73 Ca 0.44 -1.15 0.27 0.00 0.00 0.00 0.00 51.96 51.52 2iqx s ALA 73 Cb 0.28 -1.95 0.82 0.00 0.00 0.00 0.00 23.12 22.27 2iqx s ALA 73 CO -0.24 -0.48 1.63 -0.35 0.00 0.00 0.00 175.76 176.32 2iqx n PRO 74 N 4.88 0.14 -3.90 0.00 -0.04 -1.26 -0.78 135.00 134.04 2iqx n PRO 74 Ca -0.17 -0.06 -0.09 0.00 -0.04 0.00 0.00 63.50 63.14 2iqx n PRO 74 Cb 0.51 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.40 2iqx n PRO 74 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2iqx s SER 75 N -2.90 0.11 0.32 3.54 1.04 -0.93 -4.60 113.70 110.28 2iqx s SER 75 Ca 0.15 -0.74 0.26 0.00 0.48 0.00 0.00 55.95 56.10 2iqx s SER 75 Cb 0.18 0.36 0.91 0.00 0.10 0.00 0.00 66.02 67.57 2iqx s SER 75 CO 0.61 -0.77 1.77 -0.09 0.98 0.00 0.00 173.24 175.74 2iqx h ARG 76 N 2.71 0.00 0.00 4.02 2.43 -1.79 -1.76 114.38 119.99 2iqx h ARG 76 Ca -0.33 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.62 2iqx h ARG 76 Cb 1.21 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.72 2iqx h ARG 76 CO 0.54 0.00 -1.34 0.87 -1.51 0.00 0.00 179.97 178.53 2iqx h LYS 77 N 0.00 0.00 -2.01 0.20 1.79 -1.94 -3.40 116.57 111.21 2iqx h LYS 77 Ca 0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 2iqx h LYS 77 Cb 0.60 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 30.86 2iqx h LYS 77 CO 0.00 0.53 -1.09 -3.47 -1.08 0.00 0.00 179.45 174.34 2iqx n ASP 78 N -3.08 0.51 -3.52 0.86 2.03 -1.18 -5.05 116.55 107.12 2iqx n ASP 78 Ca -0.09 -2.79 -0.38 0.00 0.52 0.00 0.00 54.79 52.05 2iqx n ASP 78 Cb 0.93 -0.64 -0.04 0.00 -0.72 0.00 0.00 41.12 40.65 2iqx n ASP 78 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2iqx n PRO 79 N 1.18 1.86 -0.31 -0.67 -0.04 -0.67 -4.04 135.00 132.32 2iqx n PRO 79 Ca 0.22 -1.85 -0.04 0.00 -0.04 0.00 0.00 63.50 61.79 2iqx n PRO 79 Cb 0.54 -2.85 0.08 0.00 -0.04 0.00 0.00 33.50 31.23 2iqx n PRO 79 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2iqx h LYS 80 N 7.21 1.15 -0.65 0.54 1.57 -1.70 -3.05 116.57 121.64 2iqx h LYS 80 Ca 0.47 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 2iqx h LYS 80 Cb 0.53 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2iqx h LYS 80 CO 1.83 0.81 0.00 0.34 -0.57 0.00 0.00 179.45 181.86 2iqx n PHE 81 N -4.43 0.93 -1.63 -1.35 7.35 0.04 -4.95 117.46 113.42 2iqx n PHE 81 Ca 0.09 -0.45 -0.56 0.00 -0.76 0.00 0.00 57.45 55.77 2iqx n PHE 81 Cb 0.06 -0.03 -0.07 0.00 0.35 0.00 0.00 39.48 39.79 2iqx n PHE 81 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2iqx n ARG 82 N 1.36 0.87 -4.21 -4.13 0.63 -1.16 -0.91 116.66 109.12 2iqx n ARG 82 Ca 0.22 0.32 -0.24 0.00 -0.92 0.00 0.00 57.85 57.23 2iqx n ARG 82 Cb 0.58 -1.94 -0.06 0.00 0.45 0.00 0.00 32.46 31.49 2iqx n ARG 82 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2iqx s GLU 83 N 1.66 2.53 -0.30 -0.14 2.02 0.47 -4.02 118.70 120.92 2iqx s GLU 83 Ca 0.92 -1.20 -0.13 0.00 0.02 0.00 0.00 54.97 54.59 2iqx s GLU 83 Cb -1.09 -2.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.75 2iqx s GLU 83 CO 0.58 0.41 0.26 -0.46 0.02 0.00 0.00 175.26 176.07 2iqx s TRP 84 N -2.06 3.22 -0.04 1.61 -0.00 0.10 -1.58 118.94 120.20 2iqx s TRP 84 Ca 0.31 0.08 -0.15 0.00 -0.00 0.00 0.00 56.10 56.33 2iqx s TRP 84 Cb -0.08 -2.48 -0.05 0.00 -0.00 0.00 0.00 33.47 30.86 2iqx s TRP 84 CO 0.21 -0.25 0.41 -3.38 -0.00 0.00 0.00 176.95 173.94 2iqx s HIS 85 N 1.84 3.67 -0.08 5.86 -3.43 -1.09 -0.70 115.29 121.37 2iqx s HIS 85 Ca 0.09 0.94 0.16 0.00 -0.80 0.00 0.00 55.06 55.45 2iqx s HIS 85 Cb -0.16 -2.35 -0.24 0.00 -1.43 0.00 0.00 32.58 28.40 2iqx s HIS 85 CO 0.11 0.52 0.25 0.72 -2.00 0.00 0.00 174.74 174.34 2iqx n HIS 86 N 2.33 0.00 -3.65 0.38 8.25 -0.04 -4.87 115.22 117.62 2iqx n HIS 86 Ca -0.12 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.23 2iqx n HIS 86 Cb 0.52 -0.55 -0.08 0.00 1.12 0.00 0.00 29.99 31.00 2iqx n HIS 86 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2iqx s PHE 87 N -2.88 -0.86 -0.13 4.41 5.36 -1.16 -1.17 117.98 121.54 2iqx s PHE 87 Ca -0.07 1.90 -0.04 0.00 -0.96 0.00 0.00 56.93 57.76 2iqx s PHE 87 Cb 0.09 0.41 0.06 0.00 -0.34 0.00 0.00 43.02 43.24 2iqx s PHE 87 CO 0.70 -0.42 0.20 -1.17 -1.46 0.00 0.00 175.22 173.06 2iqx s LEU 88 N 0.94 -0.13 -0.04 6.12 2.96 -0.93 -1.71 118.68 125.89 2iqx s LEU 88 Ca -0.05 0.23 0.03 0.00 -0.22 0.00 0.00 54.13 54.12 2iqx s LEU 88 Cb -0.05 0.40 0.01 0.00 0.50 0.00 0.00 46.19 47.04 2iqx s LEU 88 CO -0.08 -0.27 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.88 2iqx s VAL 89 N 2.33 0.96 0.28 1.68 1.01 -0.28 -0.11 120.40 126.28 2iqx s VAL 89 Ca 0.04 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 61.65 2iqx s VAL 89 Cb -0.13 -0.86 -0.06 0.00 0.00 0.00 0.00 36.38 35.33 2iqx s VAL 89 CO -0.08 0.30 -0.09 0.68 0.00 0.00 0.00 175.10 175.91 2iqx s VAL 90 N 0.31 1.80 -1.46 2.92 -7.23 -0.54 0.29 120.40 116.49 2iqx s VAL 90 Ca -0.06 -2.17 -0.12 0.00 -1.81 0.00 0.00 61.98 57.82 2iqx s VAL 90 Cb -0.11 -2.40 0.05 0.00 0.56 0.00 0.00 36.38 34.49 2iqx s VAL 90 CO 0.01 -0.34 1.04 0.59 -0.31 0.00 0.00 175.10 176.09 2iqx n ASN 91 N -0.58 -5.49 -4.68 4.85 3.02 -1.11 0.91 115.26 112.18 2iqx n ASN 91 Ca -0.06 -0.66 -0.42 0.00 -0.03 0.00 0.00 54.58 53.42 2iqx n ASN 91 Cb 0.63 -4.36 -0.03 0.00 -0.61 0.00 0.00 39.78 35.41 2iqx n ASN 91 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2iqx s MET 92 N -6.46 4.34 -0.33 3.52 -2.45 -0.27 -3.94 119.30 113.72 2iqx s MET 92 Ca 0.62 1.21 -0.27 0.00 -1.25 0.00 0.00 55.69 55.99 2iqx s MET 92 Cb -0.30 -3.57 0.01 0.00 1.25 0.00 0.00 34.83 32.23 2iqx s MET 92 CO 0.76 -0.37 1.00 0.15 1.05 0.00 0.00 175.02 177.61 2iqx s LYS 93 N 2.25 3.99 7.74 4.11 1.02 -1.26 0.34 119.74 137.94 2iqx s LYS 93 Ca 0.43 0.88 0.00 0.00 0.02 0.00 0.00 55.97 57.29 2iqx s LYS 93 Cb -0.17 -3.75 0.00 0.00 -0.52 0.00 0.00 37.83 33.39 2iqx s LYS 93 CO 0.13 -0.88 0.00 0.41 -0.92 0.00 0.00 175.35 174.09 2iqx n GLY 94 N 4.06 3.46 1.06 -3.33 0.00 -0.88 -1.89 105.19 107.67 2iqx n GLY 94 Ca 0.10 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.05 2iqx n GLY 94 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2iqx n ASN 95 N 4.68 4.18 -4.54 1.61 6.94 -1.26 -4.74 115.26 122.14 2iqx n ASN 95 Ca 0.00 -3.01 -0.41 0.00 -0.02 0.00 0.00 54.58 51.13 2iqx n ASN 95 Cb 0.00 -0.57 -0.03 0.00 -2.36 0.00 0.00 39.78 36.82 2iqx n ASN 95 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2iqx s ASP 96 N -1.76 6.47 0.27 0.53 -1.08 -0.79 -4.67 116.67 115.64 2iqx s ASP 96 Ca 0.44 -1.41 -0.03 0.00 -0.52 0.00 0.00 52.55 51.03 2iqx s ASP 96 Cb 0.36 -2.54 0.37 0.00 -1.46 0.00 0.00 42.92 39.64 2iqx s ASP 96 CO 0.10 -1.48 1.91 0.40 0.52 0.00 0.00 175.17 176.61 2iqx h ILE 97 N 6.56 1.15 0.00 4.11 2.04 -1.89 -2.14 117.51 127.34 2iqx h ILE 97 Ca 0.13 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.57 2iqx h ILE 97 Cb 1.02 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2iqx h ILE 97 CO 1.36 0.22 0.00 -1.54 0.00 0.00 0.00 178.15 178.20 2iqx n SER 98 N -4.45 0.41 0.05 1.72 3.41 -1.26 -2.54 113.62 110.96 2iqx n SER 98 Ca 0.14 0.63 0.12 0.00 -0.26 0.00 0.00 58.87 59.50 2iqx n SER 98 Cb 0.12 -0.71 0.30 0.00 -0.26 0.00 0.00 64.21 63.66 2iqx n SER 98 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2iqx n SER 99 N -1.99 0.60 -4.30 4.04 3.41 -0.81 -4.93 113.62 109.65 2iqx n SER 99 Ca 0.01 0.21 -0.27 0.00 -0.26 0.00 0.00 58.87 58.56 2iqx n SER 99 Cb 0.15 -0.13 0.16 0.00 -0.26 0.00 0.00 64.21 64.14 2iqx n SER 99 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2iqx s GLY 100 N -3.43 1.78 -0.27 5.00 0.00 -1.05 -4.65 107.32 104.69 2iqx s GLY 100 Ca 0.09 -1.45 -0.11 0.00 0.00 0.00 0.00 44.72 43.25 2iqx s GLY 100 CO 0.66 -0.74 0.20 -1.59 0.00 0.00 0.00 173.10 171.64 2iqx s THR 101 N -3.63 5.31 -0.50 0.90 2.01 0.26 -4.90 115.64 115.09 2iqx s THR 101 Ca 0.72 0.21 -0.29 0.00 0.31 0.00 0.00 61.69 62.65 2iqx s THR 101 Cb -0.04 -3.54 0.03 0.00 0.01 0.00 0.00 72.50 68.96 2iqx s THR 101 CO 0.50 0.26 1.15 -0.69 -0.69 0.00 0.00 174.62 175.15 2iqx s VAL 102 N 1.61 4.16 0.06 3.82 1.01 -1.26 -1.46 120.40 128.35 2iqx s VAL 102 Ca 0.08 1.13 0.05 0.00 0.00 0.00 0.00 61.98 63.24 2iqx s VAL 102 Cb -0.15 -4.63 -0.23 0.00 0.00 0.00 0.00 36.38 31.36 2iqx s VAL 102 CO 0.09 -1.09 1.07 -0.07 0.00 0.00 0.00 175.10 175.11 2iqx h LEU 103 N 11.38 0.12 -7.13 3.92 3.38 -0.86 -3.45 115.31 122.67 2iqx h LEU 103 Ca -0.23 -0.15 -0.44 0.00 0.09 0.00 0.00 57.88 57.15 2iqx h LEU 103 Cb 1.06 -0.04 -0.40 0.00 0.09 0.00 0.00 40.66 41.37 2iqx h LEU 103 CO 1.14 1.12 -0.75 -0.44 0.09 0.00 0.00 178.44 179.60 2iqx s SER 104 N -6.69 2.09 0.55 -0.43 0.01 -0.93 -0.18 113.70 108.11 2iqx s SER 104 Ca -0.02 -0.46 -0.20 0.00 1.31 0.00 0.00 55.95 56.58 2iqx s SER 104 Cb 0.09 -0.24 -0.06 0.00 0.21 0.00 0.00 66.02 66.02 2iqx s SER 104 CO 0.83 -0.32 1.03 -0.62 0.41 0.00 0.00 173.24 174.57 2iqx n GLU 105 N 5.27 1.12 -2.09 12.44 -0.58 0.26 -2.19 120.64 134.87 2iqx n GLU 105 Ca -0.06 0.42 -0.42 0.00 -0.42 0.00 0.00 57.16 56.68 2iqx n GLU 105 Cb 0.49 -2.19 -0.03 0.00 -0.57 0.00 0.00 31.44 29.14 2iqx n GLU 105 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 2iqx s TYR 106 N -1.43 3.15 -0.07 -0.32 5.04 -1.25 -4.45 117.35 118.01 2iqx s TYR 106 Ca 0.72 0.82 0.02 0.00 -2.44 0.00 0.00 57.07 56.19 2iqx s TYR 106 Cb -0.45 -3.77 0.01 0.00 0.35 0.00 0.00 41.96 38.10 2iqx s TYR 106 CO 0.50 -2.78 -0.14 0.08 -1.34 0.00 0.00 175.55 171.87 2iqx s VAL 107 N 1.20 1.30 1.16 3.14 1.01 -0.32 -4.75 120.40 123.14 2iqx s VAL 107 Ca 0.67 -0.57 -0.19 0.00 0.00 0.00 0.00 61.98 61.89 2iqx s VAL 107 Cb -0.39 -1.17 0.29 0.00 0.00 0.00 0.00 36.38 35.11 2iqx s VAL 107 CO 0.30 0.39 0.96 0.61 0.00 0.00 0.00 175.10 177.37 2iqx n GLY 108 N 3.83 -2.94 3.71 4.51 0.00 -1.25 -4.78 105.19 108.26 2iqx n GLY 108 Ca -0.22 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 2iqx n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2iqx s SER 109 N -4.00 7.26 -0.39 1.61 0.01 -1.26 -4.96 113.70 111.97 2iqx s SER 109 Ca 0.64 1.76 0.12 0.00 1.31 0.00 0.00 55.95 59.78 2iqx s SER 109 Cb -0.07 -2.57 0.41 0.00 0.21 0.00 0.00 66.02 64.00 2iqx s SER 109 CO 0.50 -0.35 0.95 0.61 0.41 0.00 0.00 173.24 175.36 2iqx n GLY 110 N 3.03 3.60 3.74 3.44 0.00 -1.26 -4.73 105.19 113.01 2iqx n GLY 110 Ca 0.07 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 2iqx n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2iqx s PRO 111 N -3.14 4.36 0.79 1.61 0.04 -1.26 -4.93 135.00 132.47 2iqx s PRO 111 Ca 0.38 2.11 -0.14 0.00 0.04 0.00 0.00 61.00 63.39 2iqx s PRO 111 Cb 0.40 -3.18 0.07 0.00 0.04 0.00 0.00 34.50 31.83 2iqx s PRO 111 CO -0.07 -0.30 1.21 -2.14 0.04 0.00 0.00 177.00 175.74 2iqx s PRO 112 N -0.12 1.77 0.28 0.56 0.02 -1.26 -4.10 135.00 132.15 2iqx s PRO 112 Ca 0.58 1.76 -0.30 0.00 0.02 0.00 0.00 61.00 63.06 2iqx s PRO 112 Cb -0.38 -1.79 -0.11 0.00 0.02 0.00 0.00 34.50 32.25 2iqx s PRO 112 CO 0.39 -2.12 1.50 0.21 -0.33 0.00 0.00 177.00 176.65 2iqx s LYS 113 N -4.08 4.20 0.00 5.54 2.20 -1.26 -2.65 119.74 123.68 2iqx s LYS 113 Ca 0.74 2.44 0.00 0.00 -0.36 0.00 0.00 55.97 58.79 2iqx s LYS 113 Cb -0.29 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 32.97 2iqx s LYS 113 CO 0.49 -0.51 0.00 -0.25 -0.36 0.00 0.00 175.35 174.72 2iqx n ASP 114 N 2.00 0.00 -0.27 1.43 8.00 -1.26 -4.89 116.55 121.57 2iqx n ASP 114 Ca 0.06 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.63 2iqx n ASP 114 Cb 0.39 -0.11 0.32 0.00 -0.02 0.00 0.00 41.12 41.69 2iqx n ASP 114 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2iqx n THR 115 N -2.00 0.14 -4.16 -3.53 -2.24 -1.09 -5.02 114.28 96.38 2iqx n THR 115 Ca 0.00 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2iqx n THR 115 Cb 0.00 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 2iqx n THR 115 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2iqx n GLY 116 N 0.87 -0.89 3.75 3.38 0.00 -1.26 -4.48 105.19 106.56 2iqx n GLY 116 Ca 0.11 -1.19 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 2iqx n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2iqx s LEU 117 N 0.00 4.50 0.01 0.99 1.43 -1.26 -4.28 118.68 120.07 2iqx s LEU 117 Ca 0.00 1.56 0.05 0.00 -1.03 0.00 0.00 54.13 54.71 2iqx s LEU 117 Cb 0.00 -3.31 -0.03 0.00 0.03 0.00 0.00 46.19 42.87 2iqx s LEU 117 CO 0.00 0.05 -0.13 -1.00 0.23 0.00 0.00 176.35 175.50 2iqx s HIS 118 N -0.32 2.71 0.05 0.29 3.76 0.84 -4.66 115.29 117.98 2iqx s HIS 118 Ca 0.39 -0.16 -0.29 0.00 -0.15 0.00 0.00 55.06 54.86 2iqx s HIS 118 Cb -0.22 -1.55 -0.05 0.00 1.11 0.00 0.00 32.58 31.88 2iqx s HIS 118 CO 0.25 0.29 0.92 1.03 -0.85 0.00 0.00 174.74 176.38 2iqx s ARG 119 N -1.33 4.60 -0.20 1.40 0.52 -1.26 -1.84 118.95 120.85 2iqx s ARG 119 Ca 0.15 1.34 0.01 0.00 -0.52 0.00 0.00 55.73 56.72 2iqx s ARG 119 Cb -0.11 -3.41 0.03 0.00 0.52 0.00 0.00 34.95 31.99 2iqx s ARG 119 CO 0.06 0.13 -0.17 0.71 0.02 0.00 0.00 175.30 176.04 2iqx s TYR 120 N 0.36 2.87 -0.27 -0.53 2.02 0.11 -4.09 117.35 117.82 2iqx s TYR 120 Ca 0.47 -1.80 -0.06 0.00 -0.37 0.00 0.00 57.07 55.31 2iqx s TYR 120 Cb -0.22 -1.90 0.00 0.00 -0.40 0.00 0.00 41.96 39.44 2iqx s TYR 120 CO 0.27 -0.82 0.05 0.08 -1.57 0.00 0.00 175.55 173.57 2iqx s VAL 121 N 1.25 3.89 -0.05 0.71 1.01 0.70 -1.44 120.40 126.48 2iqx s VAL 121 Ca 0.02 -0.59 -0.19 0.00 0.00 0.00 0.00 61.98 61.22 2iqx s VAL 121 Cb -0.15 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 2iqx s VAL 121 CO -0.11 0.18 0.54 0.26 0.00 0.00 0.00 175.10 175.97 2iqx s TRP 122 N 1.51 3.62 -0.01 5.22 0.52 -0.02 -1.47 118.94 128.31 2iqx s TRP 122 Ca 0.04 1.07 -0.03 0.00 0.02 0.00 0.00 56.10 57.20 2iqx s TRP 122 Cb -0.16 -2.56 0.00 0.00 -1.15 0.00 0.00 33.47 29.59 2iqx s TRP 122 CO 0.01 0.31 0.06 -0.51 0.02 0.00 0.00 176.95 176.84 2iqx s LEU 123 N 0.04 1.80 -0.07 2.99 1.43 0.07 -0.80 118.68 124.14 2iqx s LEU 123 Ca 0.29 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.38 2iqx s LEU 123 Cb -0.17 0.28 0.01 0.00 0.03 0.00 0.00 46.19 46.34 2iqx s LEU 123 CO 0.14 -0.13 -0.15 -0.69 0.23 0.00 0.00 176.35 175.75 2iqx s VAL 124 N -0.48 1.34 -0.07 -1.59 1.01 -0.41 -0.56 120.40 119.65 2iqx s VAL 124 Ca -0.05 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 61.37 2iqx s VAL 124 Cb -0.03 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 2iqx s VAL 124 CO 0.00 0.40 -0.22 -0.31 0.00 0.00 0.00 175.10 174.96 2iqx s TYR 125 N 0.53 2.51 0.14 5.22 1.51 -0.12 -0.57 117.35 126.58 2iqx s TYR 125 Ca -0.14 -0.66 -0.29 0.00 -1.01 0.00 0.00 57.07 54.96 2iqx s TYR 125 Cb -0.16 -1.63 -0.07 0.00 -0.11 0.00 0.00 41.96 39.99 2iqx s TYR 125 CO 0.05 -0.18 0.93 -2.00 -1.11 0.00 0.00 175.55 173.24 2iqx s GLU 126 N -0.16 4.72 0.05 -0.62 2.12 -1.26 -0.79 118.70 122.76 2iqx s GLU 126 Ca -0.03 1.42 0.01 0.00 0.36 0.00 0.00 54.97 56.73 2iqx s GLU 126 Cb -0.14 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 2iqx s GLU 126 CO 0.04 0.31 0.14 -0.65 -0.54 0.00 0.00 175.26 174.56 2iqx s GLN 127 N -0.36 3.17 0.03 4.30 -0.21 -0.49 -4.63 119.66 121.48 2iqx s GLN 127 Ca 0.44 -0.53 0.02 0.00 0.02 0.00 0.00 55.36 55.31 2iqx s GLN 127 Cb -0.24 -2.90 -0.25 0.00 1.00 0.00 0.00 33.01 30.62 2iqx s GLN 127 CO 0.30 0.61 0.97 0.93 -2.12 0.00 0.00 175.29 175.97 2iqx h GLU 128 N 3.39 0.15 -4.44 2.91 5.08 -1.94 -3.41 114.58 116.32 2iqx h GLU 128 Ca -0.47 -0.25 -0.33 0.00 -1.00 0.00 0.00 59.36 57.31 2iqx h GLU 128 Cb 1.17 0.09 -0.11 0.00 0.50 0.00 0.00 28.75 30.40 2iqx h GLU 128 CO 0.69 1.00 -0.35 1.14 -1.00 0.00 0.00 179.01 180.49 2iqx s GLN 129 N -2.64 1.74 0.54 2.33 0.00 -1.26 -5.01 119.66 115.36 2iqx s GLN 129 Ca -0.05 -1.81 -0.22 0.00 -0.00 0.00 0.00 55.36 53.28 2iqx s GLN 129 Cb 0.08 0.38 -0.05 0.00 0.00 0.00 0.00 33.01 33.41 2iqx s GLN 129 CO 0.84 -0.68 1.30 -2.30 0.00 0.00 0.00 175.29 174.46 2iqx n PRO 130 N -0.54 1.62 -4.12 9.60 -0.02 -1.26 -4.97 135.00 135.31 2iqx n PRO 130 Ca 0.03 0.60 -0.32 0.00 -2.02 0.00 0.00 63.50 61.78 2iqx n PRO 130 Cb 0.62 -2.50 -0.07 0.00 -0.02 0.00 0.00 33.50 31.53 2iqx n PRO 130 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2iqx s LEU 131 N -3.08 3.84 -0.67 2.45 1.43 -1.26 -5.07 118.68 116.32 2iqx s LEU 131 Ca 0.71 0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.96 2iqx s LEU 131 Cb -0.43 -2.27 0.16 0.00 0.03 0.00 0.00 46.19 43.68 2iqx s LEU 131 CO 0.50 0.26 0.45 0.21 0.23 0.00 0.00 176.35 178.00 2iqx s ASN 132 N -1.81 4.69 0.16 2.29 3.04 -1.26 -4.93 114.94 117.12 2iqx s ASN 132 Ca 0.23 -3.70 -0.30 0.00 0.04 0.00 0.00 52.86 49.14 2iqx s ASN 132 Cb -0.12 -1.62 -0.07 0.00 -1.54 0.00 0.00 41.25 37.90 2iqx s ASN 132 CO 0.15 -0.11 1.03 0.00 -3.04 0.00 0.00 177.10 175.12 2iqx n ASP 134 N 2.42 4.03 -4.78 0.00 5.75 -1.26 -4.94 116.55 117.77 2iqx n ASP 134 Ca 0.02 -2.54 -0.36 0.00 -0.01 0.00 0.00 54.79 51.89 2iqx n ASP 134 Cb 0.47 -0.58 -0.03 0.00 -1.03 0.00 0.00 41.12 39.95 2iqx n ASP 134 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2iqx s GLU 135 N -2.07 3.99 0.20 0.11 8.01 -1.26 -5.00 118.70 122.67 2iqx s GLU 135 Ca 0.37 1.58 -0.31 0.00 0.01 0.00 0.00 54.97 56.63 2iqx s GLU 135 Cb 0.27 -2.45 -0.10 0.00 -4.31 0.00 0.00 34.13 27.54 2iqx s GLU 135 CO 0.13 -0.31 1.48 -1.25 0.01 0.00 0.00 175.26 175.32 2iqx s PRO 136 N -2.64 4.25 -0.36 0.39 0.04 -1.26 -4.96 135.00 130.47 2iqx s PRO 136 Ca 0.61 2.30 -0.29 0.00 0.04 0.00 0.00 61.00 63.65 2iqx s PRO 136 Cb -0.24 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.17 2iqx s PRO 136 CO 0.29 -0.49 1.37 0.42 0.04 0.00 0.00 177.00 178.63 2iqx s ILE 137 N 0.54 4.00 -0.20 0.56 -1.09 -1.26 -4.80 121.20 118.94 2iqx s ILE 137 Ca 0.64 1.07 -0.11 0.00 -2.23 0.00 0.00 60.65 60.02 2iqx s ILE 137 Cb -0.42 -4.17 -0.05 0.00 -1.58 0.00 0.00 42.46 36.24 2iqx s ILE 137 CO 0.37 -0.62 0.15 -0.76 -1.23 0.00 0.00 174.94 172.85 2iqx s LEU 138 N 4.97 4.19 0.68 2.97 1.43 0.74 -4.99 118.68 128.67 2iqx s LEU 138 Ca 0.59 0.23 -0.05 0.00 -1.03 0.00 0.00 54.13 53.88 2iqx s LEU 138 Cb -0.15 -2.12 0.07 0.00 0.03 0.00 0.00 46.19 44.01 2iqx s LEU 138 CO 0.28 0.15 0.97 -0.94 0.23 0.00 0.00 176.35 177.04 2iqx s SER 139 N 0.52 4.78 -0.24 2.29 1.04 -1.26 0.92 113.70 121.75 2iqx s SER 139 Ca 0.09 0.25 0.07 0.00 0.48 0.00 0.00 55.95 56.83 2iqx s SER 139 Cb -0.12 -0.89 0.54 0.00 0.10 0.00 0.00 66.02 65.66 2iqx s SER 139 CO -0.00 -1.58 1.51 -0.46 0.98 0.00 0.00 173.24 173.69 2iqx n ASN 140 N -2.82 4.03 -0.83 7.02 0.23 -1.26 -4.09 115.26 117.54 2iqx n ASN 140 Ca 0.09 -2.88 0.03 0.00 -0.53 0.00 0.00 54.58 51.29 2iqx n ASN 140 Cb 0.60 -0.68 0.21 0.00 -2.08 0.00 0.00 39.78 37.83 2iqx n ASN 140 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2iqx n LYS 141 N -0.04 2.02 -3.61 -3.83 5.02 -1.26 -4.42 118.16 112.03 2iqx n LYS 141 Ca 0.30 -3.00 -0.10 0.00 -2.02 0.00 0.00 58.31 53.49 2iqx n LYS 141 Cb 1.11 -1.75 -0.06 0.00 -0.02 0.00 0.00 35.03 34.31 2iqx n LYS 141 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2iqx s SER 142 N -2.51 -0.40 -0.02 4.39 0.15 -1.24 -3.82 113.70 110.24 2iqx s SER 142 Ca 0.41 0.63 0.12 0.00 0.70 0.00 0.00 55.95 57.81 2iqx s SER 142 Cb 0.36 0.58 0.39 0.00 -1.71 0.00 0.00 66.02 65.64 2iqx s SER 142 CO 0.02 -0.24 1.30 0.61 1.20 0.00 0.00 173.24 176.13 2iqx n GLY 143 N 1.48 1.18 3.75 9.45 0.00 -1.17 -4.88 105.19 115.01 2iqx n GLY 143 Ca -0.11 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 2iqx n GLY 143 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2iqx s ASP 144 N -0.92 7.07 -0.37 1.61 1.01 -1.26 -3.22 116.67 120.59 2iqx s ASP 144 Ca 0.29 2.36 0.00 0.00 0.71 0.00 0.00 52.55 55.91 2iqx s ASP 144 Cb 0.16 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.47 2iqx s ASP 144 CO 0.18 -0.33 0.00 0.59 0.21 0.00 0.00 175.17 175.82 2iqx n ASN 145 N 1.64 -5.17 -0.07 0.27 3.02 -1.26 -4.89 115.26 108.80 2iqx n ASN 145 Ca 0.01 0.09 -0.18 0.00 -0.03 0.00 0.00 54.58 54.47 2iqx n ASN 145 Cb 0.44 -2.98 -0.13 0.00 -0.61 0.00 0.00 39.78 36.50 2iqx n ASN 145 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2iqx h ARG 146 N 0.19 0.05 -7.41 3.52 2.47 -1.88 -3.47 114.38 107.85 2iqx h ARG 146 Ca -0.07 -0.08 -0.41 0.00 -1.26 0.00 0.00 59.98 58.16 2iqx h ARG 146 Cb 0.81 0.03 0.19 0.00 -1.65 0.00 0.00 29.97 29.35 2iqx h ARG 146 CO 0.10 1.04 0.14 0.20 0.56 0.00 0.00 179.97 182.01 2iqx s GLY 147 N -4.59 1.59 -1.01 0.04 0.00 -1.26 -2.66 107.32 99.43 2iqx s GLY 147 Ca -0.23 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.52 2iqx s GLY 147 CO 0.67 -0.08 0.00 0.28 0.00 0.00 0.00 173.10 173.96 2iqx n LYS 148 N -4.75 -1.27 -2.46 2.90 5.02 -0.08 -4.84 118.16 112.66 2iqx n LYS 148 Ca 0.13 0.58 -0.37 0.00 -2.02 0.00 0.00 58.31 56.63 2iqx n LYS 148 Cb 0.60 -4.72 -0.03 0.00 -0.02 0.00 0.00 35.03 30.85 2iqx n LYS 148 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2iqx s PHE 149 N -1.77 3.18 -0.25 2.13 5.36 -0.62 -4.62 117.98 121.39 2iqx s PHE 149 Ca 0.00 1.62 -0.02 0.00 -0.96 0.00 0.00 56.93 57.57 2iqx s PHE 149 Cb 0.00 -3.20 0.08 0.00 -0.34 0.00 0.00 43.02 39.56 2iqx s PHE 149 CO 0.00 -0.86 0.07 0.15 -1.46 0.00 0.00 175.22 173.12 2iqx s LYS 150 N -2.50 0.67 0.53 10.12 -0.14 -1.26 -0.40 119.74 126.76 2iqx s LYS 150 Ca 0.59 -0.71 0.20 0.00 -1.36 0.00 0.00 55.97 54.68 2iqx s LYS 150 Cb -0.24 -1.98 1.38 0.00 -1.68 0.00 0.00 37.83 35.31 2iqx s LYS 150 CO 0.30 -0.82 2.15 -0.24 -0.76 0.00 0.00 175.35 175.98 2iqx h VAL 151 N 6.50 0.87 -0.40 3.17 3.04 -1.97 -1.62 116.25 125.84 2iqx h VAL 151 Ca -0.16 -0.14 -0.13 0.00 -1.01 0.00 0.00 66.70 65.26 2iqx h VAL 151 Cb 1.06 1.08 -0.01 0.00 -2.01 0.00 0.00 31.29 31.42 2iqx h VAL 151 CO 0.40 0.04 -0.25 -0.08 -1.01 0.00 0.00 177.57 176.67 2iqx h GLU 152 N 0.00 0.88 -0.31 4.17 4.81 -1.96 -1.84 114.58 120.33 2iqx h GLU 152 Ca -0.00 -0.41 -0.06 0.00 -0.13 0.00 0.00 59.36 58.76 2iqx h GLU 152 Cb 0.08 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2iqx h GLU 152 CO 0.01 1.05 -0.05 0.93 -0.73 0.00 0.00 179.01 180.21 2iqx h GLU 153 N 0.69 0.58 0.27 1.92 5.08 -1.78 -2.67 114.58 118.67 2iqx h GLU 153 Ca 0.08 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2iqx h GLU 153 Cb 0.82 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 2iqx h GLU 153 CO 0.07 0.76 -0.39 0.35 -1.00 0.00 0.00 179.01 178.79 2iqx h PHE 154 N 0.36 -1.08 -0.17 4.33 3.57 -1.31 0.80 116.94 123.43 2iqx h PHE 154 Ca 0.08 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 2iqx h PHE 154 Cb 0.53 0.44 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 2iqx h PHE 154 CO 0.05 -0.52 -0.07 0.07 -2.23 0.00 0.00 178.31 175.61 2iqx h ARG 155 N -0.73 0.26 0.00 1.11 -0.00 -1.39 -2.19 114.38 111.45 2iqx h ARG 155 Ca -0.01 -0.05 -0.15 0.00 -0.00 0.00 0.00 59.98 59.77 2iqx h ARG 155 Cb 0.69 -0.04 -0.02 0.00 -0.00 0.00 0.00 29.97 30.60 2iqx h ARG 155 CO -0.14 0.35 -0.74 0.87 -0.00 0.00 0.00 179.97 180.31 2iqx h LYS 156 N 0.25 0.00 -0.46 0.08 1.57 -1.30 0.69 116.57 117.40 2iqx h LYS 156 Ca 0.06 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.89 2iqx h LYS 156 Cb 0.29 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 2iqx h LYS 156 CO 0.01 0.74 0.31 -0.22 -0.57 0.00 0.00 179.45 179.72 2iqx h LYS 157 N 0.00 0.41 -0.41 3.15 3.64 -0.19 -1.37 116.57 121.81 2iqx h LYS 157 Ca -0.01 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2iqx h LYS 157 Cb 1.34 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 2iqx h LYS 157 CO 0.10 0.27 0.02 0.66 -2.27 0.00 0.00 179.45 178.23 2iqx n TYR 158 N -4.48 1.47 -2.66 1.91 4.01 -1.12 -4.95 117.16 111.34 2iqx n TYR 158 Ca 0.06 -0.88 -0.19 0.00 -0.16 0.00 0.00 57.90 56.73 2iqx n TYR 158 Cb 0.21 -0.42 0.01 0.00 -0.31 0.00 0.00 39.34 38.84 2iqx n TYR 158 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2iqx n HIS 159 N -0.11 -1.34 -3.20 -0.72 8.25 -0.52 -4.98 115.22 112.60 2iqx n HIS 159 Ca 0.26 0.25 -0.39 0.00 -0.26 0.00 0.00 57.72 57.58 2iqx n HIS 159 Cb 1.05 -3.88 -0.06 0.00 1.12 0.00 0.00 29.99 28.22 2iqx n HIS 159 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2iqx s LEU 160 N -5.63 4.54 0.00 2.41 1.43 0.24 -4.99 118.68 116.68 2iqx s LEU 160 Ca 0.15 1.36 0.00 0.00 -1.03 0.00 0.00 54.13 54.60 2iqx s LEU 160 Cb -0.06 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 43.15 2iqx s LEU 160 CO 0.18 0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.63 2iqx n GLY 161 N 1.66 -0.96 3.72 -3.19 0.00 -1.26 -4.26 105.19 100.90 2iqx n GLY 161 Ca -0.09 -1.63 -0.35 0.00 0.00 0.00 0.00 46.02 43.95 2iqx n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iqx s ALA 162 N -3.94 2.14 0.19 4.61 0.00 -1.26 -4.90 121.76 118.59 2iqx s ALA 162 Ca 0.00 0.96 -0.31 0.00 0.00 0.00 0.00 51.96 52.60 2iqx s ALA 162 Cb 0.00 -3.49 -0.11 0.00 0.00 0.00 0.00 23.12 19.52 2iqx s ALA 162 CO 0.00 -1.87 1.61 -2.14 0.00 0.00 0.00 175.76 173.36 2iqx s PRO 163 N -3.81 4.18 0.38 0.00 0.02 -1.26 -4.78 135.00 129.74 2iqx s PRO 163 Ca 0.76 2.45 0.16 0.00 0.02 0.00 0.00 61.00 64.39 2iqx s PRO 163 Cb -0.31 -3.12 0.78 0.00 0.02 0.00 0.00 34.50 31.87 2iqx s PRO 163 CO 0.45 -0.64 1.82 -0.39 -0.33 0.00 0.00 177.00 177.90 2iqx h VAL 164 N 3.88 1.09 -3.53 3.83 -1.51 -1.18 -1.59 116.25 117.24 2iqx h VAL 164 Ca -0.43 -1.32 -0.08 0.00 -1.23 0.00 0.00 66.70 63.64 2iqx h VAL 164 Cb 1.20 1.74 -0.15 0.00 -2.13 0.00 0.00 31.29 31.96 2iqx h VAL 164 CO 0.91 0.36 -0.25 0.00 -1.23 0.00 0.00 177.57 177.35 2iqx s ALA 165 N -3.99 -0.56 -0.21 5.19 0.00 -1.17 -1.25 121.76 119.76 2iqx s ALA 165 Ca -0.02 -0.26 -0.35 0.00 0.00 0.00 0.00 51.96 51.34 2iqx s ALA 165 Cb 0.13 0.48 0.15 0.00 0.00 0.00 0.00 23.12 23.88 2iqx s ALA 165 CO 0.70 -0.51 1.24 0.20 0.00 0.00 0.00 175.76 177.39 2iqx s GLY 166 N -2.57 -0.24 0.17 0.00 0.00 -0.72 -1.28 107.32 102.69 2iqx s GLY 166 Ca 0.01 1.80 -0.05 0.00 0.00 0.00 0.00 44.72 46.49 2iqx s GLY 166 CO -0.09 0.64 0.31 -0.37 0.00 0.00 0.00 173.10 173.59 2iqx n THR 167 N 0.03 0.00 -3.68 0.90 5.66 0.02 -1.98 114.28 115.23 2iqx n THR 167 Ca 0.00 -0.58 -0.11 0.00 -3.05 0.00 0.00 64.05 60.32 2iqx n THR 167 Cb 0.58 0.47 -0.09 0.00 -1.55 0.00 0.00 70.33 69.74 2iqx n THR 167 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2iqx s PHE 169 N 0.99 1.97 0.23 0.00 -0.12 -0.52 0.99 117.98 121.53 2iqx s PHE 169 Ca -0.06 -0.45 0.11 0.00 -0.05 0.00 0.00 56.93 56.49 2iqx s PHE 169 Cb -0.06 -0.92 -0.05 0.00 -0.63 0.00 0.00 43.02 41.37 2iqx s PHE 169 CO -0.09 0.47 -0.19 -0.65 -0.05 0.00 0.00 175.22 174.72 2iqx s GLN 170 N -3.26 1.72 -0.17 1.99 -0.21 0.29 0.09 119.66 120.10 2iqx s GLN 170 Ca 0.23 -1.58 -0.25 0.00 0.02 0.00 0.00 55.36 53.78 2iqx s GLN 170 Cb -0.04 -1.88 0.06 0.00 1.00 0.00 0.00 33.01 32.15 2iqx s GLN 170 CO 0.09 0.37 0.64 0.00 -2.12 0.00 0.00 175.29 174.28 2iqx s ALA 171 N -2.06 -1.61 0.42 6.09 0.00 -0.77 -0.43 121.76 123.40 2iqx s ALA 171 Ca 0.26 1.59 0.07 0.00 0.00 0.00 0.00 51.96 53.88 2iqx s ALA 171 Cb -0.07 -0.68 -0.08 0.00 0.00 0.00 0.00 23.12 22.29 2iqx s ALA 171 CO 0.13 -0.32 0.01 -1.83 0.00 0.00 0.00 175.76 173.75 2iqx s GLU 172 N -0.21 1.98 0.45 0.00 -1.05 -1.26 -0.11 118.70 118.50 2iqx s GLU 172 Ca -0.04 -2.12 -0.23 0.00 -0.15 0.00 0.00 54.97 52.43 2iqx s GLU 172 Cb -0.03 -1.64 -0.10 0.00 -0.44 0.00 0.00 34.13 31.92 2iqx s GLU 172 CO 0.04 -0.07 0.89 1.87 0.95 0.00 0.00 175.26 178.94 2iqx n TRP 173 N -0.99 0.73 -4.10 4.83 -0.00 -1.26 -4.36 117.44 112.28 2iqx n TRP 173 Ca -0.06 0.54 -0.12 0.00 -0.00 0.00 0.00 57.50 57.86 2iqx n TRP 173 Cb 0.67 -2.16 -0.07 0.00 -0.00 0.00 0.00 31.31 29.76 2iqx n TRP 173 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 177.69 177.85 2iqx s ASP 174 N -0.87 0.37 0.55 5.87 -4.77 -1.26 -4.94 116.67 111.61 2iqx s ASP 174 Ca 0.65 -1.28 0.26 0.00 -3.30 0.00 0.00 52.55 48.88 2iqx s ASP 174 Cb -0.54 0.54 1.44 0.00 -1.09 0.00 0.00 42.92 43.28 2iqx s ASP 174 CO 0.55 -1.09 2.02 -2.24 0.70 0.00 0.00 175.17 175.11 2iqx h ASP 175 N 2.32 0.00 0.68 2.11 3.04 -2.02 -2.37 116.42 120.19 2iqx h ASP 175 Ca -0.30 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.44 2iqx h ASP 175 Cb 1.25 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.53 2iqx h ASP 175 CO 0.42 0.00 -0.26 0.77 -2.04 0.00 0.00 179.24 178.13 2iqx h SER 176 N 0.00 0.00 -0.12 4.15 4.64 -1.97 -3.33 113.55 116.92 2iqx h SER 176 Ca 0.20 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.56 2iqx h SER 176 Cb 0.86 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.91 2iqx h SER 176 CO -0.00 0.26 -0.14 0.58 -0.87 0.00 0.00 176.83 176.66 2iqx h VAL 177 N 0.00 0.63 -1.06 0.95 2.07 -1.74 -2.52 116.25 114.57 2iqx h VAL 177 Ca -0.00 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.81 2iqx h VAL 177 Cb 0.67 0.63 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 2iqx h VAL 177 CO 0.03 0.00 0.73 -0.65 0.02 0.00 0.00 177.57 177.70 2iqx h PRO 178 N -0.17 0.17 -0.23 1.57 0.11 -1.78 0.14 132.00 131.81 2iqx h PRO 178 Ca 0.09 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 66.06 2iqx h PRO 178 Cb 0.30 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 2iqx h PRO 178 CO -0.22 0.12 -0.37 -0.22 -0.21 0.00 0.00 178.00 177.09 2iqx h LYS 179 N 0.18 0.66 -0.68 1.05 3.64 -1.69 -2.79 116.57 116.93 2iqx h LYS 179 Ca 0.55 -0.40 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 2iqx h LYS 179 Cb 1.81 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.64 2iqx h LYS 179 CO -0.13 1.01 0.32 1.25 -2.27 0.00 0.00 179.45 179.63 2iqx h LEU 180 N 0.36 0.91 -0.67 5.20 6.46 -0.67 -1.61 115.31 125.28 2iqx h LEU 180 Ca 0.02 -0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.62 2iqx h LEU 180 Cb 0.96 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.63 2iqx h LEU 180 CO 0.08 0.79 0.34 0.45 -0.62 0.00 0.00 178.44 179.49 2iqx h HIS 181 N 0.96 0.94 0.00 1.25 3.86 -0.84 -0.78 115.15 120.54 2iqx h HIS 181 Ca 0.23 -0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.38 2iqx h HIS 181 Cb 0.14 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.31 2iqx h HIS 181 CO 0.01 0.69 -0.14 -0.44 0.86 0.00 0.00 177.93 178.91 2iqx h ASP 182 N 0.92 0.00 -0.20 2.45 3.32 -1.24 0.07 116.42 121.73 2iqx h ASP 182 Ca 0.23 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.18 2iqx h ASP 182 Cb 0.09 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 2iqx h ASP 182 CO -0.03 0.14 -0.26 -0.61 -1.72 0.00 0.00 179.24 176.76 2iqx h GLN 183 N 0.00 0.53 0.00 3.56 4.15 -0.69 -2.87 115.11 119.79 2iqx h GLN 183 Ca -0.00 -0.30 0.00 0.00 0.77 0.00 0.00 58.65 59.12 2iqx h GLN 183 Cb 0.77 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.48 2iqx h GLN 183 CO 0.02 0.89 0.00 -0.07 -1.93 0.00 0.00 178.83 177.74 2iqx h LEU 184 N 0.21 0.00 -1.17 -2.39 3.38 -0.86 -2.45 115.31 112.03 2iqx h LEU 184 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2iqx h LEU 184 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2iqx h LEU 184 CO 0.06 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.59 2iqx n ALA 185 N -1.97 2.52 -0.21 1.53 0.00 -0.02 -3.05 120.51 119.31 2iqx n ALA 185 Ca 0.02 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2iqx n ALA 185 Cb 0.35 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.72 2iqx n ALA 185 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91