#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iqx s ALA 3 N 0.00 1.15 -0.74 0.00 0.00 -1.24 -4.73 121.76 116.21 2iqx s ALA 3 Ca 0.00 -1.18 -0.11 0.00 0.00 0.00 0.00 51.96 50.67 2iqx s ALA 3 Cb 0.00 -2.79 0.19 0.00 0.00 0.00 0.00 23.12 20.52 2iqx s ALA 3 CO 0.00 -3.32 0.64 0.34 0.00 0.00 0.00 175.76 173.42 2iqx s ASP 4 N -4.38 6.26 0.64 0.00 3.68 -1.26 -4.79 116.67 116.82 2iqx s ASP 4 Ca 0.74 -2.67 0.29 0.00 2.13 0.00 0.00 52.55 53.04 2iqx s ASP 4 Cb -0.05 -2.10 1.55 0.00 -1.45 0.00 0.00 42.92 40.87 2iqx s ASP 4 CO 0.55 -0.53 1.90 0.40 0.13 0.00 0.00 175.17 177.62 2iqx h ILE 5 N 5.03 0.12 0.00 4.11 2.04 -1.95 -2.33 117.51 124.52 2iqx h ILE 5 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 2iqx h ILE 5 Cb 1.02 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2iqx h ILE 5 CO 0.76 0.00 0.00 0.77 0.00 0.00 0.00 178.15 179.68 2iqx h SER 6 N 0.00 0.00 -0.61 1.72 4.64 -1.97 -1.42 113.55 115.91 2iqx h SER 6 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2iqx h SER 6 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 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 -2.61 2.63 -0.20 4.77 1.13 -0.88 -4.59 117.38 117.64 2iqx n GLN 7 Ca -0.01 -2.28 0.00 0.00 -1.94 0.00 0.00 57.00 52.77 2iqx n GLN 7 Cb 0.12 -1.55 0.09 0.00 0.11 0.00 0.00 30.24 29.00 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 3.60 -0.11 -0.37 1.08 2.91 -1.46 0.12 115.95 121.72 2iqx h TRP 8 Ca 0.00 0.05 -0.02 0.00 1.13 0.00 0.00 58.89 60.05 2iqx h TRP 8 Cb 0.93 0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 29.71 2iqx h TRP 8 CO 0.47 -0.19 0.03 0.00 -1.03 0.00 0.00 178.44 177.72 2iqx n ALA 9 N -2.84 3.42 -1.06 2.65 0.00 -1.26 -1.09 120.51 120.34 2iqx n ALA 9 Ca 0.08 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.31 2iqx n ALA 9 Cb 0.34 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 0.33 0.67 0.47 0.00 0.00 0.03 -4.57 105.19 102.11 2iqx n GLY 10 Ca 0.18 -1.54 0.29 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 0.00 1.61 0.11 -1.90 0.35 132.00 132.16 2iqx h PRO 11 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 2iqx h PRO 11 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 2iqx h PRO 11 CO 0.00 0.00 -0.08 -0.07 -0.21 0.00 0.00 178.00 177.64 2iqx h LEU 12 N 0.00 0.00 -1.40 2.35 3.38 -1.84 -3.47 115.31 114.33 2iqx h LEU 12 Ca 0.43 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.88 2iqx h LEU 12 Cb 1.75 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 42.37 2iqx h LEU 12 CO -0.00 0.08 -0.85 -1.20 0.09 0.00 0.00 178.44 176.56 2iqx n SER 13 N -3.20 -2.29 0.02 -0.43 7.64 0.12 -4.83 113.62 110.65 2iqx n SER 13 Ca 0.01 -0.99 0.07 0.00 1.01 0.00 0.00 58.87 58.97 2iqx n SER 13 Cb 0.37 -2.98 0.29 0.00 -1.01 0.00 0.00 64.21 60.87 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 -4.43 0.08 0.10 -3.43 4.77 -0.25 -2.09 117.00 111.76 2iqx n LEU 14 Ca -0.08 0.52 0.08 0.00 -0.03 0.00 0.00 56.01 56.51 2iqx n LEU 14 Cb 0.57 -0.51 0.41 0.00 -2.33 0.00 0.00 43.42 41.55 2iqx n LEU 14 CO 0.81 -0.33 0.76 0.00 -1.33 0.00 0.00 177.39 177.29 2iqx n GLN 15 N -1.59 0.11 0.25 3.23 0.00 -1.24 -0.76 117.38 117.38 2iqx n GLN 15 Ca 0.03 0.51 0.13 0.00 0.00 0.00 0.00 57.00 57.67 2iqx n GLN 15 Cb 0.15 -1.78 0.61 0.00 0.00 0.00 0.00 30.24 29.22 2iqx n GLN 15 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2iqx h GLU 16 N 0.00 0.00 0.00 2.61 5.08 -1.79 -3.31 114.58 117.17 2iqx h GLU 16 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2iqx h GLU 16 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2iqx h GLU 16 CO 0.00 0.12 -0.54 0.28 -1.00 0.00 0.00 179.01 177.87 2iqx n VAL 17 N -3.32 1.11 -3.95 3.13 0.31 0.06 -5.06 118.33 110.60 2iqx n VAL 17 Ca -0.00 0.26 -0.11 0.00 -0.01 0.00 0.00 64.34 64.48 2iqx n VAL 17 Cb 0.34 -2.17 -0.01 0.00 -0.91 0.00 0.00 33.84 31.09 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 -5.31 0.37 0.51 4.52 -1.08 -0.93 -4.12 116.67 110.64 2iqx s ASP 18 Ca -0.16 -1.24 -0.23 0.00 -0.52 0.00 0.00 52.55 50.40 2iqx s ASP 18 Cb 0.02 0.74 -0.06 0.00 -1.46 0.00 0.00 42.92 42.16 2iqx s ASP 18 CO 0.23 -1.45 1.36 -0.62 0.52 0.00 0.00 175.17 175.22 2iqx n GLU 19 N -0.53 1.84 -1.66 4.34 -0.58 -1.26 -3.69 120.64 119.10 2iqx n GLU 19 Ca -0.03 0.67 -0.44 0.00 -0.42 0.00 0.00 57.16 56.94 2iqx n GLU 19 Cb 0.61 -2.56 -0.01 0.00 -0.57 0.00 0.00 31.44 28.90 2iqx n GLU 19 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2iqx n PRO 20 N -0.71 1.86 -1.21 3.49 -0.02 -1.26 -4.42 135.00 132.73 2iqx n PRO 20 Ca 0.09 0.65 -0.29 0.00 -2.02 0.00 0.00 63.50 61.93 2iqx n PRO 20 Cb 0.43 -2.18 0.16 0.00 -0.02 0.00 0.00 33.50 31.89 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 -1.54 0.87 0.15 0.52 0.02 -1.26 -4.50 135.00 129.26 2iqx s PRO 21 Ca 0.59 0.65 0.11 0.00 0.02 0.00 0.00 61.00 62.36 2iqx s PRO 21 Cb -0.63 -1.78 -0.11 0.00 0.02 0.00 0.00 34.50 32.00 2iqx s PRO 21 CO 0.60 -2.46 1.23 1.96 -0.33 0.00 0.00 177.00 178.00 2iqx h GLN 22 N -1.70 0.00 -4.14 5.54 4.20 -1.34 -3.47 115.11 114.19 2iqx h GLN 22 Ca -0.52 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.03 2iqx h GLN 22 Cb 1.31 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 28.90 2iqx h GLN 22 CO 0.56 0.72 -0.69 -1.01 -0.67 0.00 0.00 178.83 177.74 2iqx s HIS 23 N -2.80 0.41 0.13 2.96 3.76 -0.57 -4.98 115.29 114.19 2iqx s HIS 23 Ca 0.01 -0.74 -0.30 0.00 -0.15 0.00 0.00 55.06 53.88 2iqx s HIS 23 Cb 0.09 -0.29 -0.06 0.00 1.11 0.00 0.00 32.58 33.43 2iqx s HIS 23 CO 0.79 -0.25 0.95 0.00 -0.85 0.00 0.00 174.74 175.38 2iqx s ALA 24 N -2.45 3.26 -0.28 -1.40 0.00 -1.26 -1.81 121.76 117.82 2iqx s ALA 24 Ca -0.06 0.57 -0.18 0.00 0.00 0.00 0.00 51.96 52.30 2iqx s ALA 24 Cb -0.03 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 2iqx s ALA 24 CO -0.04 0.01 0.50 -1.17 0.00 0.00 0.00 175.76 175.05 2iqx s LEU 25 N -0.17 4.10 -0.06 0.00 2.96 -0.33 -4.55 118.68 120.63 2iqx s LEU 25 Ca 0.46 0.40 -0.25 0.00 -0.22 0.00 0.00 54.13 54.51 2iqx s LEU 25 Cb -0.24 -2.62 -0.03 0.00 0.50 0.00 0.00 46.19 43.80 2iqx s LEU 25 CO 0.30 -0.31 0.79 -0.60 -1.32 0.00 0.00 176.35 175.21 2iqx s ARG 26 N 2.30 4.46 -0.09 1.98 3.52 -0.22 -4.50 118.95 126.41 2iqx s ARG 26 Ca 0.20 1.05 0.03 0.00 -0.13 0.00 0.00 55.73 56.88 2iqx s ARG 26 Cb -0.16 -3.46 0.01 0.00 -1.56 0.00 0.00 34.95 29.78 2iqx s ARG 26 CO 0.10 -0.00 -0.18 0.08 -0.81 0.00 0.00 175.30 174.48 2iqx s VAL 27 N 0.98 1.64 -0.20 7.11 1.01 -1.26 -2.22 120.40 127.46 2iqx s VAL 27 Ca 0.42 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 2iqx s VAL 27 Cb -0.19 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.75 2iqx s VAL 27 CO 0.20 0.47 -0.14 -1.81 0.00 0.00 0.00 175.10 173.83 2iqx s ASP 28 N 0.59 3.65 -1.19 3.32 1.01 0.19 -1.44 116.67 122.79 2iqx s ASP 28 Ca -0.15 -0.62 -0.06 0.00 0.71 0.00 0.00 52.55 52.44 2iqx s ASP 28 Cb -0.17 -1.58 0.22 0.00 1.01 0.00 0.00 42.92 42.41 2iqx s ASP 28 CO 0.05 -0.03 1.88 -1.22 0.21 0.00 0.00 175.17 176.06 2iqx n TYR 29 N 4.67 2.62 -2.86 4.23 4.01 0.32 0.13 117.16 130.29 2iqx n TYR 29 Ca -0.19 -2.69 -0.22 0.00 -0.16 0.00 0.00 57.90 54.63 2iqx n TYR 29 Cb 0.50 -1.61 0.02 0.00 -0.31 0.00 0.00 39.34 37.94 2iqx n TYR 29 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2iqx n GLY 30 N 1.68 0.11 0.00 2.72 0.00 -1.26 -3.07 105.19 105.37 2iqx n GLY 30 Ca 0.42 0.64 0.00 0.00 0.00 0.00 0.00 46.02 47.09 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 0.23 3.09 3.70 -0.02 0.00 -1.26 -5.02 105.19 105.91 2iqx n GLY 31 Ca -0.05 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.51 5.18 0.12 1.61 1.01 -1.18 -5.08 120.40 121.56 2iqx s VAL 32 Ca 0.00 0.89 0.07 0.00 0.00 0.00 0.00 61.98 62.94 2iqx s VAL 32 Cb 0.00 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2iqx s VAL 32 CO 0.00 0.29 -0.08 -0.89 0.00 0.00 0.00 175.10 174.42 2iqx s THR 33 N 0.92 3.47 -0.96 3.92 2.01 -1.26 -0.52 115.64 123.23 2iqx s THR 33 Ca 0.24 -1.29 -0.12 0.00 0.31 0.00 0.00 61.69 60.83 2iqx s THR 33 Cb -0.15 -2.65 0.24 0.00 0.01 0.00 0.00 72.50 69.95 2iqx s THR 33 CO 0.09 0.07 0.93 -0.69 -0.69 0.00 0.00 174.62 174.33 2iqx s VAL 34 N -1.32 5.74 -0.58 3.82 1.01 -0.52 -4.85 120.40 123.70 2iqx s VAL 34 Ca 0.23 -2.84 0.13 0.00 0.00 0.00 0.00 61.98 59.50 2iqx s VAL 34 Cb -0.11 -4.54 0.41 0.00 0.00 0.00 0.00 36.38 32.14 2iqx s VAL 34 CO 0.15 -1.12 1.33 -0.90 0.00 0.00 0.00 175.10 174.56 2iqx n ASP 35 N 3.57 3.39 -3.78 3.32 5.68 -1.26 -4.24 116.55 123.21 2iqx n ASP 35 Ca 0.19 -2.47 -0.13 0.00 -0.50 0.00 0.00 54.79 51.88 2iqx n ASP 35 Cb 0.44 -0.38 -0.12 0.00 -1.14 0.00 0.00 41.12 39.93 2iqx n ASP 35 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 2iqx s GLU 36 N -1.84 0.30 -0.10 0.11 2.12 -1.26 -3.64 118.70 114.38 2iqx s GLU 36 Ca 0.32 0.36 -0.29 0.00 0.36 0.00 0.00 54.97 55.72 2iqx s GLU 36 Cb 0.22 0.14 -0.07 0.00 0.26 0.00 0.00 34.13 34.69 2iqx s GLU 36 CO 0.13 -0.04 2.06 -1.17 -0.54 0.00 0.00 175.26 175.70 2iqx s LEU 37 N 0.15 3.93 0.00 2.70 2.96 -1.26 -1.64 118.68 125.51 2iqx s LEU 37 Ca -0.00 2.22 0.00 0.00 -0.22 0.00 0.00 54.13 56.13 2iqx s LEU 37 Cb -0.02 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.15 2iqx s LEU 37 CO 0.00 -1.50 0.00 0.61 -1.32 0.00 0.00 176.35 174.14 2iqx n GLY 38 N 5.13 0.70 3.62 7.98 0.00 0.21 -4.98 105.19 117.83 2iqx n GLY 38 Ca 0.24 -0.09 -0.49 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.59 1.51 -2.90 1.61 4.81 -0.65 -3.68 118.16 116.28 2iqx n LYS 39 Ca 0.00 0.54 -0.41 0.00 -0.87 0.00 0.00 58.31 57.57 2iqx n LYS 39 Cb 0.00 -2.17 -0.04 0.00 0.02 0.00 0.00 35.03 32.84 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 0.27 4.88 0.26 3.15 1.01 -1.26 -0.53 120.40 128.18 2iqx s VAL 40 Ca 0.77 1.60 0.09 0.00 0.00 0.00 0.00 61.98 64.43 2iqx s VAL 40 Cb -0.81 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 31.39 2iqx s VAL 40 CO 0.47 0.01 -0.13 -0.76 0.00 0.00 0.00 175.10 174.69 2iqx s LEU 41 N 2.31 2.57 0.25 3.92 1.43 0.13 -4.94 118.68 124.34 2iqx s LEU 41 Ca 0.37 -1.10 -0.15 0.00 -1.03 0.00 0.00 54.13 52.23 2iqx s LEU 41 Cb -0.16 -0.81 -0.08 0.00 0.03 0.00 0.00 46.19 45.17 2iqx s LEU 41 CO 0.11 -0.17 0.66 0.42 0.23 0.00 0.00 176.35 177.59 2iqx s THR 42 N -2.82 4.74 0.45 5.49 -4.23 -1.26 -4.24 115.64 113.76 2iqx s THR 42 Ca 0.28 0.90 0.18 0.00 -1.18 0.00 0.00 61.69 61.87 2iqx s THR 42 Cb -0.00 -3.69 0.37 0.00 1.34 0.00 0.00 72.50 70.52 2iqx s THR 42 CO 0.12 0.01 1.92 -0.65 -0.54 0.00 0.00 174.62 175.48 2iqx h PRO 43 N 2.83 0.31 -0.77 3.99 0.11 -1.85 -2.15 132.00 134.47 2iqx h PRO 43 Ca -0.48 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.65 2iqx h PRO 43 Cb 1.18 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 2iqx h PRO 43 CO 0.66 0.21 0.48 1.15 -0.21 0.00 0.00 178.00 180.28 2iqx h THR 44 N 0.32 1.08 0.00 -1.15 2.02 -1.93 -1.98 112.91 111.27 2iqx h THR 44 Ca 0.36 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 67.23 2iqx h THR 44 Cb 0.95 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.45 2iqx h THR 44 CO -0.10 0.17 -0.01 1.56 0.37 0.00 0.00 175.52 177.50 2iqx h GLN 45 N 0.91 0.00 0.00 6.66 4.20 -1.78 -3.08 115.11 122.02 2iqx h GLN 45 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 2iqx h GLN 45 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2iqx h GLN 45 CO -0.13 0.01 -0.07 1.33 -0.67 0.00 0.00 178.83 179.30 2iqx n VAL 46 N -3.30 1.20 0.25 -0.54 0.24 -0.92 -4.73 118.33 110.52 2iqx n VAL 46 Ca -0.02 -1.39 0.10 0.00 -2.04 0.00 0.00 64.34 60.98 2iqx n VAL 46 Cb 0.12 0.18 0.67 0.00 -1.47 0.00 0.00 33.84 33.34 2iqx n VAL 46 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 2iqx h MET 47 N 0.00 0.00 -5.90 7.34 2.86 -1.28 -3.38 114.93 114.57 2iqx h MET 47 Ca 0.00 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.07 2iqx h MET 47 Cb 0.92 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.49 2iqx h MET 47 CO 0.00 0.00 -0.51 -0.80 1.06 0.00 0.00 176.91 176.66 2iqx s ASN 48 N -6.91 4.37 0.30 1.22 0.01 -1.26 -3.79 114.94 108.89 2iqx s ASN 48 Ca -0.05 -1.08 -0.29 0.00 -0.71 0.00 0.00 52.86 50.73 2iqx s ASN 48 Cb 0.17 -0.49 -0.13 0.00 0.41 0.00 0.00 41.25 41.21 2iqx s ASN 48 CO 0.66 -0.50 1.22 -1.14 -1.51 0.00 0.00 177.10 175.82 2iqx n ARG 49 N -1.19 1.84 -1.33 -0.60 0.63 -1.26 -4.93 116.66 109.82 2iqx n ARG 49 Ca -0.02 0.65 -0.35 0.00 -0.92 0.00 0.00 57.85 57.21 2iqx n ARG 49 Cb 0.64 -2.17 0.10 0.00 0.45 0.00 0.00 32.46 31.48 2iqx n ARG 49 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2iqx n PRO 50 N 0.87 0.50 0.14 -0.14 -0.04 -1.26 -4.87 135.00 130.19 2iqx n PRO 50 Ca 0.08 0.23 0.06 0.00 -0.04 0.00 0.00 63.50 63.83 2iqx n PRO 50 Cb 0.34 -2.35 0.05 0.00 -0.04 0.00 0.00 33.50 31.49 2iqx n PRO 50 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2iqx h SER 51 N -0.35 0.00 -4.43 3.54 4.64 0.68 -3.48 113.55 114.15 2iqx h SER 51 Ca -0.48 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 60.91 2iqx h SER 51 Cb 1.32 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.21 2iqx h SER 51 CO 0.48 0.28 0.47 -0.94 -0.87 0.00 0.00 176.83 176.25 2iqx s SER 52 N -6.12 -0.42 0.03 4.97 1.04 -1.03 -4.96 113.70 107.22 2iqx s SER 52 Ca 0.03 0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.80 2iqx s SER 52 Cb 0.07 0.37 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 2iqx s SER 52 CO 0.74 -0.48 -0.06 0.27 0.98 0.00 0.00 173.24 174.69 2iqx s ILE 53 N -1.78 0.35 0.00 -1.02 -4.36 -1.26 -0.64 121.20 112.49 2iqx s ILE 53 Ca -0.01 -1.05 -0.29 0.00 -0.26 0.00 0.00 60.65 59.04 2iqx s ILE 53 Cb -0.01 -0.52 0.10 0.00 1.25 0.00 0.00 42.46 43.29 2iqx s ILE 53 CO -0.01 -0.46 0.96 -0.94 0.24 0.00 0.00 174.94 174.73 2iqx s SER 54 N -1.61 -0.29 0.10 4.36 1.04 -0.94 -4.85 113.70 111.51 2iqx s SER 54 Ca -0.11 -0.08 -0.25 0.00 0.48 0.00 0.00 55.95 55.98 2iqx s SER 54 Cb -0.09 0.36 0.08 0.00 0.10 0.00 0.00 66.02 66.47 2iqx s SER 54 CO -0.01 -0.61 0.66 -1.66 0.98 0.00 0.00 173.24 172.60 2iqx s TRP 55 N -3.03 -0.52 0.33 5.02 -2.14 -1.26 -1.05 118.94 116.27 2iqx s TRP 55 Ca 0.07 0.42 -0.29 0.00 2.66 0.00 0.00 56.10 58.97 2iqx s TRP 55 Cb -0.01 0.53 -0.10 0.00 -3.10 0.00 0.00 33.47 30.80 2iqx s TRP 55 CO -0.06 -0.76 1.27 -0.51 -2.66 0.00 0.00 176.95 174.22 2iqx s ASP 56 N -2.47 6.85 0.00 -2.66 1.01 -1.26 -2.36 116.67 115.77 2iqx s ASP 56 Ca -0.00 2.60 0.00 0.00 0.71 0.00 0.00 52.55 55.86 2iqx s ASP 56 Cb -0.01 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.28 2iqx s ASP 56 CO -0.09 -0.47 0.00 0.61 0.21 0.00 0.00 175.17 175.43 2iqx n GLY 57 N 0.86 0.95 3.59 0.21 0.00 -1.26 -4.92 105.19 104.63 2iqx n GLY 57 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.49 2iqx n GLY 57 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2iqx n LEU 58 N 0.00 2.46 -4.49 0.99 7.94 -1.00 -4.94 117.00 117.96 2iqx n LEU 58 Ca 0.00 0.79 -0.39 0.00 -1.11 0.00 0.00 56.01 55.31 2iqx n LEU 58 Cb 0.00 -1.23 -0.11 0.00 0.53 0.00 0.00 43.42 42.61 2iqx n LEU 58 CO 0.00 -0.47 -0.19 -0.62 -1.11 0.00 0.00 177.39 175.00 2iqx s ASP 59 N 5.17 5.71 0.61 1.96 -1.08 -1.26 -4.97 116.67 122.81 2iqx s ASP 59 Ca 1.02 -0.37 0.39 0.00 -0.52 0.00 0.00 52.55 53.08 2iqx s ASP 59 Cb -0.93 -2.05 1.93 0.00 -1.46 0.00 0.00 42.92 40.41 2iqx s ASP 59 CO 0.57 -0.16 2.19 1.55 0.52 0.00 0.00 175.17 179.84 2iqx h PRO 60 N 8.37 0.00 -0.01 4.34 0.13 -1.95 -2.45 132.00 140.43 2iqx h PRO 60 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2iqx h PRO 60 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2iqx h PRO 60 CO 0.60 0.01 -0.18 0.41 -0.23 0.00 0.00 178.00 178.61 2iqx n GLY 61 N -0.59 -0.31 3.99 1.56 0.00 -1.26 -4.07 105.19 104.51 2iqx n GLY 61 Ca -0.01 -0.44 -0.18 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.32 2.92 -0.12 1.61 1.02 -0.92 -4.97 119.74 116.95 2iqx s LYS 62 Ca 0.28 -1.17 -0.04 0.00 0.02 0.00 0.00 55.97 55.06 2iqx s LYS 62 Cb 0.20 -2.76 -0.03 0.00 -0.52 0.00 0.00 37.83 34.72 2iqx s LYS 62 CO 0.46 -0.14 0.02 -0.51 -0.92 0.00 0.00 175.35 174.26 2iqx s LEU 63 N -4.27 3.62 0.13 3.17 1.43 -1.26 -2.31 118.68 119.20 2iqx s LEU 63 Ca 0.51 0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.76 2iqx s LEU 63 Cb -0.09 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 2iqx s LEU 63 CO 0.32 0.29 -0.13 -0.31 0.23 0.00 0.00 176.35 176.75 2iqx s TYR 64 N -0.36 1.40 -0.08 0.29 1.51 0.02 -0.35 117.35 119.78 2iqx s TYR 64 Ca 0.08 -0.59 0.01 0.00 -1.01 0.00 0.00 57.07 55.56 2iqx s TYR 64 Cb -0.12 -0.72 -0.02 0.00 -0.11 0.00 0.00 41.96 40.98 2iqx s TYR 64 CO 0.02 0.15 -0.12 0.99 -1.11 0.00 0.00 175.55 175.49 2iqx s THR 65 N -2.40 3.25 -0.03 -0.71 2.01 -0.28 -0.67 115.64 116.80 2iqx s THR 65 Ca 0.11 -0.63 0.06 0.00 0.31 0.00 0.00 61.69 61.54 2iqx s THR 65 Cb -0.03 -2.32 -0.01 0.00 0.01 0.00 0.00 72.50 70.15 2iqx s THR 65 CO 0.03 0.57 -0.22 -0.22 -0.69 0.00 0.00 174.62 174.09 2iqx s LEU 66 N -0.37 2.02 -0.05 4.42 2.96 0.29 -0.65 118.68 127.31 2iqx s LEU 66 Ca 0.04 -0.42 -0.05 0.00 -0.22 0.00 0.00 54.13 53.48 2iqx s LEU 66 Cb -0.12 -1.17 0.01 0.00 0.50 0.00 0.00 46.19 45.41 2iqx s LEU 66 CO 0.02 0.24 0.14 -0.69 -1.32 0.00 0.00 176.35 174.75 2iqx s VAL 67 N -0.31 0.01 -0.12 1.68 1.01 0.36 -1.47 120.40 121.55 2iqx s VAL 67 Ca 0.03 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.95 2iqx s VAL 67 Cb -0.11 -0.23 0.02 0.00 0.00 0.00 0.00 36.38 36.06 2iqx s VAL 67 CO 0.01 -0.04 -0.14 -0.22 0.00 0.00 0.00 175.10 174.72 2iqx s LEU 68 N -0.06 1.62 0.04 3.92 2.96 -0.69 -0.56 118.68 125.92 2iqx s LEU 68 Ca -0.01 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 2iqx s LEU 68 Cb -0.02 -1.08 -0.03 0.00 0.50 0.00 0.00 46.19 45.57 2iqx s LEU 68 CO 0.00 -0.03 -0.07 0.28 -1.32 0.00 0.00 176.35 175.21 2iqx s THR 69 N 1.29 0.49 -0.30 3.68 -1.32 -0.68 0.20 115.64 119.00 2iqx s THR 69 Ca -0.00 -1.16 0.03 0.00 -1.21 0.00 0.00 61.69 59.35 2iqx s THR 69 Cb -0.14 -0.69 0.08 0.00 -1.51 0.00 0.00 72.50 70.24 2iqx s THR 69 CO -0.06 -0.46 -0.03 -0.62 -2.21 0.00 0.00 174.62 171.24 2iqx s ASP 70 N -1.74 4.59 0.00 8.08 2.15 -0.88 -1.03 116.67 127.83 2iqx s ASP 70 Ca -0.08 -1.78 0.18 0.00 0.43 0.00 0.00 52.55 51.30 2iqx s ASP 70 Cb -0.08 -1.57 0.90 0.00 -0.30 0.00 0.00 42.92 41.87 2iqx s ASP 70 CO -0.01 -0.29 1.54 -0.81 -0.17 0.00 0.00 175.17 175.43 2iqx n PRO 71 N 4.35 0.26 -2.17 4.34 -0.04 -1.25 -0.86 135.00 139.63 2iqx n PRO 71 Ca -0.05 0.12 -0.30 0.00 -0.04 0.00 0.00 63.50 63.23 2iqx n PRO 71 Cb 0.42 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.28 5.58 -4.47 3.54 8.00 -1.26 -4.47 116.55 122.20 2iqx n ASP 72 Ca 0.08 -3.76 -0.35 0.00 0.71 0.00 0.00 54.79 51.47 2iqx n ASP 72 Cb 0.14 -0.60 -0.12 0.00 -0.02 0.00 0.00 41.12 40.52 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 -3.69 3.11 -0.70 2.24 0.00 -1.26 -1.52 121.76 119.94 2iqx s ALA 73 Ca 0.51 -1.01 0.26 0.00 0.00 0.00 0.00 51.96 51.72 2iqx s ALA 73 Cb 0.42 -1.88 0.73 0.00 0.00 0.00 0.00 23.12 22.38 2iqx s ALA 73 CO -0.17 -0.22 1.71 -1.00 0.00 0.00 0.00 175.76 176.08 2iqx h PRO 74 N 7.64 0.00 -3.99 0.00 0.13 -1.89 0.97 132.00 134.86 2iqx h PRO 74 Ca -0.37 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.66 2iqx h PRO 74 Cb 1.18 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.16 2iqx h PRO 74 CO 0.61 0.00 -0.47 -1.54 -0.23 0.00 0.00 178.00 176.37 2iqx s SER 75 N -4.60 0.23 0.28 1.44 1.04 -0.58 -4.51 113.70 107.01 2iqx s SER 75 Ca 0.10 -0.82 0.01 0.00 0.48 0.00 0.00 55.95 55.72 2iqx s SER 75 Cb 0.12 0.31 0.42 0.00 0.10 0.00 0.00 66.02 66.97 2iqx s SER 75 CO 0.62 -0.71 1.77 -0.09 0.98 0.00 0.00 173.24 175.80 2iqx h ARG 76 N 2.85 0.62 -0.11 4.02 2.43 -1.77 -2.77 114.38 119.64 2iqx h ARG 76 Ca -0.34 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 58.64 2iqx h ARG 76 Cb 1.19 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 2iqx h ARG 76 CO 0.58 0.71 0.03 -0.22 -1.51 0.00 0.00 179.97 179.56 2iqx h LYS 77 N 0.57 0.17 -2.73 0.20 3.64 -1.92 -3.38 116.57 113.11 2iqx h LYS 77 Ca 0.10 -0.04 -0.61 0.00 -1.27 0.00 0.00 60.65 58.84 2iqx h LYS 77 Cb 0.51 -0.02 -0.40 0.00 -0.41 0.00 0.00 32.23 31.91 2iqx h LYS 77 CO 0.03 0.34 -0.78 0.34 -2.27 0.00 0.00 179.45 177.11 2iqx s ASP 78 N -5.57 3.13 -1.46 4.20 2.15 -1.20 -5.04 116.67 112.87 2iqx s ASP 78 Ca -0.14 -3.41 -0.08 0.00 0.43 0.00 0.00 52.55 49.35 2iqx s ASP 78 Cb 0.06 -1.02 -0.03 0.00 -0.30 0.00 0.00 42.92 41.62 2iqx s ASP 78 CO 0.69 -0.14 2.83 -0.81 -0.17 0.00 0.00 175.17 177.57 2iqx n PRO 79 N 2.48 3.88 -0.08 4.34 -0.04 -1.05 -3.84 135.00 140.68 2iqx n PRO 79 Ca 0.24 -2.52 0.22 0.00 -0.04 0.00 0.00 63.50 61.40 2iqx n PRO 79 Cb 0.41 -2.71 0.67 0.00 -0.04 0.00 0.00 33.50 31.83 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 4.78 0.06 -0.28 0.54 1.57 -1.76 -2.52 116.57 118.97 2iqx h LYS 80 Ca 0.80 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.55 2iqx h LYS 80 Cb 0.34 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2iqx h LYS 80 CO 1.63 0.04 0.00 1.19 -0.57 0.00 0.00 179.45 181.74 2iqx n PHE 81 N -4.36 0.98 -1.67 -1.35 3.01 0.30 -4.90 117.46 109.46 2iqx n PHE 81 Ca 0.13 -0.95 -0.45 0.00 1.01 0.00 0.00 57.45 57.20 2iqx n PHE 81 Cb 0.71 -0.34 -0.04 0.00 -0.01 0.00 0.00 39.48 39.81 2iqx n PHE 81 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2iqx n ARG 82 N -0.57 2.57 -4.10 -1.08 0.63 -0.95 -1.64 116.66 111.51 2iqx n ARG 82 Ca 0.23 0.94 -0.30 0.00 -0.92 0.00 0.00 57.85 57.80 2iqx n ARG 82 Cb 0.92 -2.83 -0.07 0.00 0.45 0.00 0.00 32.46 30.92 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 3.74 2.67 -0.67 -0.14 2.02 0.84 -3.90 118.70 123.26 2iqx s GLU 83 Ca 0.88 -0.80 -0.20 0.00 0.02 0.00 0.00 54.97 54.87 2iqx s GLU 83 Cb -0.55 -2.60 0.10 0.00 0.10 0.00 0.00 34.13 31.18 2iqx s GLU 83 CO 0.44 0.54 0.85 -0.46 0.02 0.00 0.00 175.26 176.65 2iqx s TRP 84 N -1.38 2.93 -0.01 1.61 -0.00 -0.04 -1.15 118.94 120.91 2iqx s TRP 84 Ca 0.27 -0.92 -0.30 0.00 -0.00 0.00 0.00 56.10 55.15 2iqx s TRP 84 Cb -0.12 -4.14 -0.03 0.00 -0.00 0.00 0.00 33.47 29.18 2iqx s TRP 84 CO 0.20 -1.43 1.05 -3.38 -0.00 0.00 0.00 176.95 173.39 2iqx s HIS 85 N 3.06 3.55 -0.13 5.86 -3.43 -0.23 -2.08 115.29 121.90 2iqx s HIS 85 Ca 0.18 1.55 0.18 0.00 -0.80 0.00 0.00 55.06 56.17 2iqx s HIS 85 Cb -0.19 -3.22 -0.19 0.00 -1.43 0.00 0.00 32.58 27.55 2iqx s HIS 85 CO 0.05 -0.44 0.60 0.72 -2.00 0.00 0.00 174.74 173.68 2iqx n HIS 86 N 4.19 0.60 -3.64 0.38 8.25 0.13 -4.91 115.22 120.23 2iqx n HIS 86 Ca 0.07 0.20 -0.14 0.00 -0.26 0.00 0.00 57.72 57.60 2iqx n HIS 86 Cb 0.49 -0.97 -0.07 0.00 1.12 0.00 0.00 29.99 30.56 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 -2.94 -0.77 -0.28 4.41 5.36 -1.00 -0.83 117.98 121.93 2iqx s PHE 87 Ca -0.05 1.87 -0.03 0.00 -0.96 0.00 0.00 56.93 57.76 2iqx s PHE 87 Cb 0.09 0.27 0.16 0.00 -0.34 0.00 0.00 43.02 43.21 2iqx s PHE 87 CO 0.83 -0.37 0.55 -1.17 -1.46 0.00 0.00 175.22 173.60 2iqx s LEU 88 N 0.42 -1.15 -0.03 6.12 2.96 -0.88 -1.70 118.68 124.41 2iqx s LEU 88 Ca -0.00 0.85 0.04 0.00 -0.22 0.00 0.00 54.13 54.80 2iqx s LEU 88 Cb -0.05 1.91 -0.00 0.00 0.50 0.00 0.00 46.19 48.55 2iqx s LEU 88 CO 0.00 -0.26 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.94 2iqx s VAL 89 N 2.78 1.21 0.31 1.68 1.01 -0.54 0.76 120.40 127.61 2iqx s VAL 89 Ca 0.14 -0.60 0.10 0.00 0.00 0.00 0.00 61.98 61.62 2iqx s VAL 89 Cb -0.14 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 2iqx s VAL 89 CO -0.19 0.36 -0.09 0.68 0.00 0.00 0.00 175.10 175.85 2iqx s VAL 90 N 0.04 2.62 -1.46 2.92 -7.23 -0.56 -0.55 120.40 116.19 2iqx s VAL 90 Ca -0.03 -2.18 -0.10 0.00 -1.81 0.00 0.00 61.98 57.87 2iqx s VAL 90 Cb -0.10 -2.59 0.06 0.00 0.56 0.00 0.00 36.38 34.31 2iqx s VAL 90 CO 0.01 -0.30 0.95 0.59 -0.31 0.00 0.00 175.10 176.04 2iqx n ASN 91 N -0.79 -4.24 -4.69 4.85 3.02 -1.12 -0.59 115.26 111.70 2iqx n ASN 91 Ca -0.05 -0.76 -0.42 0.00 -0.03 0.00 0.00 54.58 53.32 2iqx n ASN 91 Cb 0.61 -4.07 -0.03 0.00 -0.61 0.00 0.00 39.78 35.68 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 -6.44 4.45 -0.42 3.52 -2.45 0.15 -4.06 119.30 114.05 2iqx s MET 92 Ca 0.52 1.34 -0.28 0.00 -1.25 0.00 0.00 55.69 56.02 2iqx s MET 92 Cb -0.25 -3.52 0.02 0.00 1.25 0.00 0.00 34.83 32.33 2iqx s MET 92 CO 0.81 -0.22 1.04 0.15 1.05 0.00 0.00 175.02 177.86 2iqx s LYS 93 N 1.66 3.78 6.62 4.11 1.02 -1.26 -0.80 119.74 134.86 2iqx s LYS 93 Ca 0.48 0.59 0.00 0.00 0.02 0.00 0.00 55.97 57.06 2iqx s LYS 93 Cb -0.19 -3.86 0.00 0.00 -0.52 0.00 0.00 37.83 33.26 2iqx s LYS 93 CO 0.20 -1.17 0.00 0.41 -0.92 0.00 0.00 175.35 173.87 2iqx n GLY 94 N 4.59 3.34 1.29 -3.33 0.00 -0.98 -2.02 105.19 108.08 2iqx n GLY 94 Ca 0.10 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.06 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 3.68 4.57 -4.53 1.61 6.94 -1.26 -4.71 115.26 121.56 2iqx n ASN 95 Ca 0.00 -2.90 -0.42 0.00 -0.02 0.00 0.00 54.58 51.24 2iqx n ASN 95 Cb 0.00 -0.58 -0.02 0.00 -2.36 0.00 0.00 39.78 36.81 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 -1.41 6.59 0.27 0.53 -1.08 -0.86 -4.67 116.67 116.04 2iqx s ASP 96 Ca 0.46 -1.75 0.00 0.00 -0.52 0.00 0.00 52.55 50.74 2iqx s ASP 96 Cb 0.36 -2.52 0.57 0.00 -1.46 0.00 0.00 42.92 39.86 2iqx s ASP 96 CO 0.13 -1.34 1.76 0.40 0.52 0.00 0.00 175.17 176.64 2iqx h ILE 97 N 6.36 0.72 0.00 4.11 2.04 -1.89 -2.28 117.51 126.57 2iqx h ILE 97 Ca 0.22 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2iqx h ILE 97 Cb 0.99 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2iqx h ILE 97 CO 1.35 0.12 0.00 -1.54 0.00 0.00 0.00 178.15 178.07 2iqx n SER 98 N -4.86 0.38 0.14 1.72 3.41 -1.26 -2.46 113.62 110.69 2iqx n SER 98 Ca 0.18 0.55 0.13 0.00 -0.26 0.00 0.00 58.87 59.47 2iqx n SER 98 Cb 0.46 -0.64 0.36 0.00 -0.26 0.00 0.00 64.21 64.13 2iqx n SER 98 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2iqx h SER 99 N 0.00 0.00 -4.07 4.04 4.64 -1.77 -3.47 113.55 112.92 2iqx h SER 99 Ca 0.00 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.86 2iqx h SER 99 Cb 0.54 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.75 2iqx h SER 99 CO 0.00 0.00 0.37 -0.83 -0.87 0.00 0.00 176.83 175.50 2iqx s GLY 100 N -3.76 1.70 -0.28 -0.77 0.00 -1.03 -4.66 107.32 98.52 2iqx s GLY 100 Ca 0.09 -1.01 -0.14 0.00 0.00 0.00 0.00 44.72 43.67 2iqx s GLY 100 CO 0.60 -0.40 0.31 -1.59 0.00 0.00 0.00 173.10 172.03 2iqx s THR 101 N -3.65 5.22 -0.42 0.90 2.01 0.25 -4.93 115.64 115.02 2iqx s THR 101 Ca 0.67 0.39 -0.28 0.00 0.31 0.00 0.00 61.69 62.78 2iqx s THR 101 Cb -0.07 -3.66 0.02 0.00 0.01 0.00 0.00 72.50 68.81 2iqx s THR 101 CO 0.50 0.16 1.06 -0.69 -0.69 0.00 0.00 174.62 174.97 2iqx s VAL 102 N 1.96 4.36 0.08 3.82 1.01 -1.26 -1.49 120.40 128.89 2iqx s VAL 102 Ca 0.12 1.27 -0.07 0.00 0.00 0.00 0.00 61.98 63.30 2iqx s VAL 102 Cb -0.16 -4.50 -0.27 0.00 0.00 0.00 0.00 36.38 31.45 2iqx s VAL 102 CO 0.10 -0.80 1.16 -0.07 0.00 0.00 0.00 175.10 175.49 2iqx h LEU 103 N 10.71 0.57 -7.25 3.92 3.38 -0.02 -3.44 115.31 123.18 2iqx h LEU 103 Ca -0.23 -0.56 -0.45 0.00 0.09 0.00 0.00 57.88 56.74 2iqx h LEU 103 Cb 1.06 -0.18 -0.40 0.00 0.09 0.00 0.00 40.66 41.24 2iqx h LEU 103 CO 1.07 1.40 -0.75 -0.44 0.09 0.00 0.00 178.44 179.81 2iqx s SER 104 N -7.23 2.07 0.63 -0.43 0.01 -0.94 -0.88 113.70 106.92 2iqx s SER 104 Ca -0.06 -0.40 -0.18 0.00 1.31 0.00 0.00 55.95 56.62 2iqx s SER 104 Cb 0.07 -0.35 -0.02 0.00 0.21 0.00 0.00 66.02 65.93 2iqx s SER 104 CO 0.90 -0.29 1.21 -0.70 0.41 0.00 0.00 173.24 174.77 2iqx s GLU 105 N 2.04 2.78 0.14 12.44 -6.30 -0.18 -2.08 118.70 127.54 2iqx s GLU 105 Ca 0.03 1.81 -0.33 0.00 -2.50 0.00 0.00 54.97 53.97 2iqx s GLU 105 Cb -0.15 -1.91 -0.13 0.00 0.00 0.00 0.00 34.13 31.95 2iqx s GLU 105 CO -0.07 -1.35 1.70 0.98 0.02 0.00 0.00 175.26 176.54 2iqx n TYR 106 N -1.87 2.47 -4.89 5.30 9.36 -1.26 -4.56 117.16 121.72 2iqx n TYR 106 Ca 0.14 0.09 -0.28 0.00 3.32 0.00 0.00 57.90 61.17 2iqx n TYR 106 Cb 0.50 -2.63 -0.17 0.00 -0.63 0.00 0.00 39.34 36.41 2iqx n TYR 106 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2iqx s VAL 107 N 1.72 1.56 1.12 2.97 1.01 -0.01 -4.77 120.40 123.99 2iqx s VAL 107 Ca 0.80 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 61.87 2iqx s VAL 107 Cb -0.60 -1.36 0.25 0.00 0.00 0.00 0.00 36.38 34.67 2iqx s VAL 107 CO 0.38 0.45 1.13 -0.83 0.00 0.00 0.00 175.10 176.23 2iqx s GLY 108 N 0.34 1.60 0.00 4.51 0.00 -1.25 -4.75 107.32 107.78 2iqx s GLY 108 Ca -0.12 -0.83 -0.30 0.00 0.00 0.00 0.00 44.72 43.47 2iqx s GLY 108 CO 0.05 -0.04 1.71 -0.56 0.00 0.00 0.00 173.10 174.27 2iqx s SER 109 N -3.93 6.61 -0.44 1.64 0.01 -1.26 -4.94 113.70 111.39 2iqx s SER 109 Ca 0.70 2.40 0.10 0.00 1.31 0.00 0.00 55.95 60.45 2iqx s SER 109 Cb -0.11 -2.54 0.38 0.00 0.21 0.00 0.00 66.02 63.96 2iqx s SER 109 CO 0.56 -0.94 0.92 0.61 0.41 0.00 0.00 173.24 174.80 2iqx n GLY 110 N 4.17 4.27 3.74 3.44 0.00 -1.26 -4.73 105.19 114.82 2iqx n GLY 110 Ca 0.17 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 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 -3.11 4.34 0.60 1.61 0.04 -1.26 -4.96 135.00 132.26 2iqx s PRO 111 Ca 0.42 2.14 -0.19 0.00 0.04 0.00 0.00 61.00 63.41 2iqx s PRO 111 Cb 0.36 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 2iqx s PRO 111 CO -0.10 -0.33 1.03 -2.30 0.04 0.00 0.00 177.00 175.34 2iqx n PRO 112 N 2.64 0.98 -2.05 0.56 -0.02 -1.26 -4.07 135.00 131.78 2iqx n PRO 112 Ca 0.07 0.38 -0.41 0.00 -2.02 0.00 0.00 63.50 61.52 2iqx n PRO 112 Cb 0.42 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 2iqx n PRO 112 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2iqx s LYS 113 N -2.82 4.30 -1.44 -0.52 2.20 -1.26 -2.96 119.74 117.24 2iqx s LYS 113 Ca 0.76 2.29 -0.04 0.00 -0.36 0.00 0.00 55.97 58.62 2iqx s LYS 113 Cb -0.42 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 2iqx s LYS 113 CO 0.47 -0.27 0.51 -0.25 -0.36 0.00 0.00 175.35 175.45 2iqx n ASP 114 N 0.82 -5.73 -0.59 1.43 8.00 -1.26 -4.89 116.55 114.33 2iqx n ASP 114 Ca 0.01 -0.24 0.06 0.00 0.71 0.00 0.00 54.79 55.32 2iqx n ASP 114 Cb 0.41 -4.57 0.11 0.00 -0.02 0.00 0.00 41.12 37.05 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 -4.38 0.48 -4.11 -3.53 -2.24 -1.16 -5.10 114.28 94.24 2iqx n THR 115 Ca -0.11 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 2iqx n THR 115 Cb 0.62 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 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 0.65 -1.52 3.75 3.38 0.00 -1.26 -4.45 105.19 105.75 2iqx n GLY 116 Ca 0.10 -1.31 -0.40 0.00 0.00 0.00 0.00 46.02 44.41 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 4.59 0.15 0.99 1.43 -1.26 -4.44 118.68 120.15 2iqx s LEU 117 Ca 0.00 2.12 0.08 0.00 -1.03 0.00 0.00 54.13 55.30 2iqx s LEU 117 Cb 0.00 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 2iqx s LEU 117 CO 0.00 -0.01 -0.05 -1.00 0.23 0.00 0.00 176.35 175.52 2iqx s HIS 118 N -1.14 2.76 -0.17 0.29 3.76 -0.01 -4.54 115.29 116.24 2iqx s HIS 118 Ca 0.43 -0.16 -0.11 0.00 -0.15 0.00 0.00 55.06 55.07 2iqx s HIS 118 Cb -0.29 -1.37 -0.05 0.00 1.11 0.00 0.00 32.58 31.98 2iqx s HIS 118 CO 0.37 0.49 0.18 1.03 -0.85 0.00 0.00 174.74 175.96 2iqx s ARG 119 N -2.69 4.10 -0.29 1.40 0.52 -1.26 -2.02 118.95 118.70 2iqx s ARG 119 Ca 0.25 -0.10 0.03 0.00 -0.52 0.00 0.00 55.73 55.39 2iqx s ARG 119 Cb -0.10 -3.38 0.07 0.00 0.52 0.00 0.00 34.95 32.06 2iqx s ARG 119 CO 0.16 0.36 -0.05 0.71 0.02 0.00 0.00 175.30 176.50 2iqx s TYR 120 N 0.16 3.43 -0.25 -0.53 2.02 0.49 -3.87 117.35 118.79 2iqx s TYR 120 Ca 0.12 -2.53 -0.10 0.00 -0.37 0.00 0.00 57.07 54.19 2iqx s TYR 120 Cb -0.12 -2.27 -0.05 0.00 -0.40 0.00 0.00 41.96 39.13 2iqx s TYR 120 CO 0.01 -0.90 0.16 0.08 -1.57 0.00 0.00 175.55 173.33 2iqx s VAL 121 N 1.04 5.27 -0.19 0.71 1.01 -0.20 -1.98 120.40 126.06 2iqx s VAL 121 Ca -0.02 0.15 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 2iqx s VAL 121 Cb -0.20 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 2iqx s VAL 121 CO -0.06 0.31 0.11 0.26 0.00 0.00 0.00 175.10 175.72 2iqx s TRP 122 N 1.33 3.37 -0.01 5.22 0.52 -0.44 -1.69 118.94 127.25 2iqx s TRP 122 Ca 0.07 0.26 0.01 0.00 0.02 0.00 0.00 56.10 56.47 2iqx s TRP 122 Cb -0.15 -2.12 0.00 0.00 -1.15 0.00 0.00 33.47 30.05 2iqx s TRP 122 CO 0.07 0.27 -0.04 -0.51 0.02 0.00 0.00 176.95 176.76 2iqx s LEU 123 N 0.30 1.91 -0.07 2.99 1.43 0.27 -1.65 118.68 123.86 2iqx s LEU 123 Ca 0.07 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 2iqx s LEU 123 Cb -0.11 -0.21 0.01 0.00 0.03 0.00 0.00 46.19 45.90 2iqx s LEU 123 CO -0.01 0.03 -0.17 -0.69 0.23 0.00 0.00 176.35 175.74 2iqx s VAL 124 N 0.04 1.47 -0.04 -1.59 1.01 -0.63 -0.48 120.40 120.18 2iqx s VAL 124 Ca -0.00 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.35 2iqx s VAL 124 Cb -0.03 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 2iqx s VAL 124 CO -0.00 0.43 -0.24 -0.31 0.00 0.00 0.00 175.10 174.98 2iqx s TYR 125 N 0.42 2.22 0.10 5.22 1.51 0.18 -0.93 117.35 126.07 2iqx s TYR 125 Ca -0.13 -0.57 -0.30 0.00 -1.01 0.00 0.00 57.07 55.06 2iqx s TYR 125 Cb -0.15 -1.45 -0.06 0.00 -0.11 0.00 0.00 41.96 40.18 2iqx s TYR 125 CO 0.05 -0.14 1.12 -2.00 -1.11 0.00 0.00 175.55 173.47 2iqx s GLU 126 N -0.29 4.52 0.17 -0.62 2.12 -1.26 -1.13 118.70 122.21 2iqx s GLU 126 Ca 0.01 1.69 0.04 0.00 0.36 0.00 0.00 54.97 57.07 2iqx s GLU 126 Cb -0.12 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 2iqx s GLU 126 CO 0.02 -0.08 0.23 -0.65 -0.54 0.00 0.00 175.26 174.23 2iqx s GLN 127 N 0.47 3.20 -0.03 4.30 -0.21 0.53 -4.69 119.66 123.23 2iqx s GLN 127 Ca 0.54 -0.75 0.21 0.00 0.02 0.00 0.00 55.36 55.38 2iqx s GLN 127 Cb -0.28 -2.81 -0.32 0.00 1.00 0.00 0.00 33.01 30.60 2iqx s GLN 127 CO 0.31 0.49 0.50 0.39 -2.12 0.00 0.00 175.29 174.86 2iqx n GLU 128 N -0.62 0.61 -3.73 2.91 1.02 -1.26 -4.50 120.64 115.06 2iqx n GLU 128 Ca -0.08 -0.18 -0.06 0.00 -0.02 0.00 0.00 57.16 56.82 2iqx n GLU 128 Cb 0.55 -1.51 -0.02 0.00 -0.02 0.00 0.00 31.44 30.45 2iqx n GLU 128 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2iqx s GLN 129 N -3.44 1.36 0.43 3.49 0.00 -1.26 -5.04 119.66 115.20 2iqx s GLN 129 Ca -0.07 -0.71 -0.24 0.00 -0.00 0.00 0.00 55.36 54.34 2iqx s GLN 129 Cb 0.14 0.49 -0.10 0.00 0.00 0.00 0.00 33.01 33.54 2iqx s GLN 129 CO 0.89 -0.62 1.05 -2.30 0.00 0.00 0.00 175.29 174.31 2iqx n PRO 130 N -0.44 1.42 -3.39 9.60 -0.02 -1.26 -5.00 135.00 135.91 2iqx n PRO 130 Ca -0.07 0.51 -0.38 0.00 -2.02 0.00 0.00 63.50 61.54 2iqx n PRO 130 Cb 0.61 -2.11 -0.06 0.00 -0.02 0.00 0.00 33.50 31.92 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 -0.85 4.48 -0.32 2.45 1.43 -1.26 -5.07 118.68 119.54 2iqx s LEU 131 Ca 0.64 1.09 -0.01 0.00 -1.03 0.00 0.00 54.13 54.81 2iqx s LEU 131 Cb -0.54 -2.73 0.07 0.00 0.03 0.00 0.00 46.19 43.02 2iqx s LEU 131 CO 0.56 0.28 0.04 0.21 0.23 0.00 0.00 176.35 177.67 2iqx s ASN 132 N -0.96 4.92 0.00 2.29 3.84 -1.26 -4.94 114.94 118.83 2iqx s ASN 132 Ca 0.26 -1.52 0.02 0.00 0.21 0.00 0.00 52.86 51.83 2iqx s ASN 132 Cb -0.18 -1.72 -0.03 0.00 -0.55 0.00 0.00 41.25 38.77 2iqx s ASN 132 CO 0.16 -0.32 -0.03 0.00 -2.79 0.00 0.00 177.10 174.11 2iqx n ASP 134 N 1.47 1.74 -4.51 0.00 5.75 -1.26 -4.99 116.55 114.74 2iqx n ASP 134 Ca -0.15 -1.35 -0.42 0.00 -0.01 0.00 0.00 54.79 52.86 2iqx n ASP 134 Cb 0.53 0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.87 2iqx n ASP 134 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2iqx n GLU 135 N -0.06 0.84 -2.31 0.11 4.71 -1.26 -4.93 120.64 117.74 2iqx n GLU 135 Ca 0.12 0.30 -0.37 0.00 -0.01 0.00 0.00 57.16 57.20 2iqx n GLU 135 Cb 0.43 -1.67 -0.02 0.00 -1.01 0.00 0.00 31.44 29.17 2iqx n GLU 135 CO 0.00 0.00 0.00 -2.14 0.09 0.00 0.00 177.13 175.08 2iqx s PRO 136 N -1.68 3.84 -0.43 3.49 0.02 -1.26 -4.98 135.00 134.00 2iqx s PRO 136 Ca 0.63 1.73 -0.22 0.00 0.02 0.00 0.00 61.00 63.16 2iqx s PRO 136 Cb -0.62 -2.44 0.02 0.00 0.02 0.00 0.00 34.50 31.49 2iqx s PRO 136 CO 0.58 -0.47 0.71 0.42 -0.33 0.00 0.00 177.00 177.91 2iqx s ILE 137 N -1.57 4.75 -0.14 2.83 -1.09 -1.26 -4.71 121.20 120.02 2iqx s ILE 137 Ca 0.62 0.36 -0.07 0.00 -2.23 0.00 0.00 60.65 59.33 2iqx s ILE 137 Cb -0.27 -4.24 -0.04 0.00 -1.58 0.00 0.00 42.46 36.33 2iqx s ILE 137 CO 0.33 -0.60 0.11 -0.76 -1.23 0.00 0.00 174.94 172.79 2iqx s LEU 138 N 3.02 4.18 0.73 2.97 1.43 -0.06 -5.00 118.68 125.95 2iqx s LEU 138 Ca 0.26 0.33 -0.06 0.00 -1.03 0.00 0.00 54.13 53.64 2iqx s LEU 138 Cb -0.13 -2.03 0.09 0.00 0.03 0.00 0.00 46.19 44.15 2iqx s LEU 138 CO 0.20 0.33 1.03 -0.94 0.23 0.00 0.00 176.35 177.20 2iqx s SER 139 N -0.57 4.55 -0.09 2.29 1.04 -1.26 -1.01 113.70 118.65 2iqx s SER 139 Ca 0.12 0.24 0.10 0.00 0.48 0.00 0.00 55.95 56.88 2iqx s SER 139 Cb -0.12 -0.78 0.44 0.00 0.10 0.00 0.00 66.02 65.66 2iqx s SER 139 CO 0.02 -1.75 1.25 -0.46 0.98 0.00 0.00 173.24 173.28 2iqx n ASN 140 N -2.96 3.24 -0.63 7.02 0.23 -1.26 -3.97 115.26 116.93 2iqx n ASN 140 Ca 0.10 -2.36 0.07 0.00 -0.53 0.00 0.00 54.58 51.86 2iqx n ASN 140 Cb 0.60 -0.50 0.19 0.00 -2.08 0.00 0.00 39.78 37.99 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 0.49 2.73 -3.62 -3.83 4.76 -1.26 -4.40 118.16 113.03 2iqx n LYS 141 Ca 0.15 -2.41 -0.16 0.00 -2.87 0.00 0.00 58.31 53.02 2iqx n LYS 141 Cb 0.65 -1.53 -0.07 0.00 -1.84 0.00 0.00 35.03 32.24 2iqx n LYS 141 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2iqx s SER 142 N -1.63 -0.55 0.00 4.39 0.15 -1.25 -2.16 113.70 112.65 2iqx s SER 142 Ca 0.30 0.73 0.20 0.00 0.70 0.00 0.00 55.95 57.88 2iqx s SER 142 Cb 0.23 0.69 0.57 0.00 -1.71 0.00 0.00 66.02 65.80 2iqx s SER 142 CO 0.10 -0.46 1.45 0.61 1.20 0.00 0.00 173.24 176.14 2iqx n GLY 143 N 1.53 0.96 3.75 9.45 0.00 -1.01 -4.83 105.19 115.05 2iqx n GLY 143 Ca -0.18 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.40 6.64 -1.33 1.61 1.11 -1.26 -2.89 116.67 119.15 2iqx s ASP 144 Ca 0.34 2.72 0.00 0.00 0.18 0.00 0.00 52.55 55.79 2iqx s ASP 144 Cb 0.19 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.54 2iqx s ASP 144 CO 0.27 -0.69 0.00 0.59 1.18 0.00 0.00 175.17 176.52 2iqx n ASN 145 N 1.77 -5.19 -0.00 0.27 3.02 -1.26 -4.87 115.26 108.99 2iqx n ASN 145 Ca 0.05 0.31 -0.10 0.00 -0.03 0.00 0.00 54.58 54.81 2iqx n ASN 145 Cb 0.40 -3.79 -0.14 0.00 -0.61 0.00 0.00 39.78 35.64 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 0.05 0.04 -6.74 3.52 2.47 -1.88 -3.47 114.38 108.37 2iqx h ARG 146 Ca -0.26 -0.07 -0.44 0.00 -1.26 0.00 0.00 59.98 57.96 2iqx h ARG 146 Cb 1.04 0.03 0.04 0.00 -1.65 0.00 0.00 29.97 29.43 2iqx h ARG 146 CO 0.38 0.66 -0.09 0.20 0.56 0.00 0.00 179.97 181.68 2iqx s GLY 147 N -5.09 1.85 -2.03 0.04 0.00 -1.26 -1.07 107.32 99.76 2iqx s GLY 147 Ca -0.06 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.14 2iqx s GLY 147 CO 0.82 -1.22 0.00 0.28 0.00 0.00 0.00 173.10 172.98 2iqx n LYS 148 N -2.25 -1.54 -2.97 2.90 4.76 -0.65 -4.88 118.16 113.52 2iqx n LYS 148 Ca 0.09 1.14 -0.40 0.00 -2.87 0.00 0.00 58.31 56.28 2iqx n LYS 148 Cb 0.60 -5.64 -0.06 0.00 -1.84 0.00 0.00 35.03 28.09 2iqx n LYS 148 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 2iqx s PHE 149 N -2.89 3.87 -0.26 2.13 5.36 -0.30 -4.64 117.98 121.26 2iqx s PHE 149 Ca 0.00 1.61 0.02 0.00 -0.96 0.00 0.00 56.93 57.60 2iqx s PHE 149 Cb 0.00 -2.79 0.07 0.00 -0.34 0.00 0.00 43.02 39.96 2iqx s PHE 149 CO 0.00 0.46 -0.06 0.15 -1.46 0.00 0.00 175.22 174.31 2iqx s LYS 150 N -0.89 1.84 0.32 10.12 -0.14 -1.26 -0.11 119.74 129.62 2iqx s LYS 150 Ca 0.37 -1.24 0.01 0.00 -1.36 0.00 0.00 55.97 53.74 2iqx s LYS 150 Cb -0.23 -2.76 0.54 0.00 -1.68 0.00 0.00 37.83 33.71 2iqx s LYS 150 CO 0.26 -0.63 1.97 -0.24 -0.76 0.00 0.00 175.35 175.94 2iqx h VAL 151 N 6.70 1.19 -0.43 3.17 3.04 -1.97 -0.86 116.25 127.09 2iqx h VAL 151 Ca -0.17 -0.42 -0.02 0.00 -1.01 0.00 0.00 66.70 65.09 2iqx h VAL 151 Cb 1.05 0.25 -0.02 0.00 -2.01 0.00 0.00 31.29 30.57 2iqx h VAL 151 CO 0.45 0.20 0.19 -0.08 -1.01 0.00 0.00 177.57 177.31 2iqx h GLU 152 N 0.91 0.63 -0.65 4.17 4.81 -1.95 0.17 114.58 122.68 2iqx h GLU 152 Ca 0.24 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.28 2iqx h GLU 152 Cb -0.03 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 2iqx h GLU 152 CO -0.04 0.56 0.07 0.93 -0.73 0.00 0.00 179.01 179.80 2iqx h GLU 153 N 0.55 1.09 -0.19 1.92 5.08 -1.83 -2.08 114.58 119.12 2iqx h GLU 153 Ca 0.15 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2iqx h GLU 153 Cb 0.15 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2iqx h GLU 153 CO -0.02 1.02 0.12 0.35 -1.00 0.00 0.00 179.01 179.48 2iqx h PHE 154 N 1.00 0.26 -0.07 4.33 3.57 -0.81 -0.18 116.94 125.04 2iqx h PHE 154 Ca 0.19 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.59 2iqx h PHE 154 Cb 0.48 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2iqx h PHE 154 CO 0.04 0.21 -0.44 0.07 -2.23 0.00 0.00 178.31 175.96 2iqx h ARG 155 N 0.23 0.16 0.00 1.11 -0.00 -0.54 -2.33 114.38 113.01 2iqx h ARG 155 Ca 0.07 -0.08 -0.14 0.00 -0.00 0.00 0.00 59.98 59.84 2iqx h ARG 155 Cb 0.03 -0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 29.98 2iqx h ARG 155 CO -0.01 0.57 -0.64 0.87 -0.00 0.00 0.00 179.97 180.76 2iqx h LYS 156 N 0.13 0.00 -0.96 0.08 1.57 -1.24 0.19 116.57 116.33 2iqx h LYS 156 Ca 0.01 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2iqx h LYS 156 Cb 0.83 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.09 2iqx h LYS 156 CO 0.06 0.64 0.63 -0.22 -0.57 0.00 0.00 179.45 180.00 2iqx h LYS 157 N 0.00 1.21 -0.61 3.15 3.64 -0.47 -1.79 116.57 121.70 2iqx h LYS 157 Ca -0.01 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 2iqx h LYS 157 Cb 1.33 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 2iqx h LYS 157 CO 0.08 0.80 0.03 0.66 -2.27 0.00 0.00 179.45 178.75 2iqx n TYR 158 N -4.45 2.07 -2.04 1.91 4.01 -1.12 -4.93 117.16 112.61 2iqx n TYR 158 Ca 0.12 -0.75 -0.16 0.00 -0.16 0.00 0.00 57.90 56.95 2iqx n TYR 158 Cb 0.06 -0.52 -0.03 0.00 -0.31 0.00 0.00 39.34 38.54 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 0.53 -0.52 -2.57 -0.72 8.25 -0.67 -5.01 115.22 114.51 2iqx n HIS 159 Ca 0.28 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.43 2iqx n HIS 159 Cb 1.19 -3.09 -0.04 0.00 1.12 0.00 0.00 29.99 29.18 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 -4.23 3.72 0.00 2.41 1.43 0.62 -4.99 118.68 117.64 2iqx s LEU 160 Ca 0.00 1.46 0.00 0.00 -1.03 0.00 0.00 54.13 54.56 2iqx s LEU 160 Cb 0.00 -4.37 0.00 0.00 0.03 0.00 0.00 46.19 41.85 2iqx s LEU 160 CO 0.00 -0.51 0.00 0.61 0.23 0.00 0.00 176.35 176.68 2iqx n GLY 161 N -1.39 0.97 3.73 -3.19 0.00 -1.26 -4.49 105.19 99.56 2iqx n GLY 161 Ca 0.05 -1.90 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.70 2.22 0.37 4.61 0.00 -1.26 -4.89 121.76 120.11 2iqx s ALA 162 Ca 0.00 0.89 -0.28 0.00 0.00 0.00 0.00 51.96 52.57 2iqx s ALA 162 Cb 0.00 -3.46 -0.11 0.00 0.00 0.00 0.00 23.12 19.55 2iqx s ALA 162 CO 0.00 -1.71 1.43 -2.30 0.00 0.00 0.00 175.76 173.18 2iqx n PRO 163 N -2.48 2.50 0.13 0.00 -0.02 -1.26 -4.80 135.00 129.07 2iqx n PRO 163 Ca 0.13 0.88 0.01 0.00 -2.02 0.00 0.00 63.50 62.50 2iqx n PRO 163 Cb 0.50 -2.56 0.06 0.00 -0.02 0.00 0.00 33.50 31.48 2iqx n PRO 163 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2iqx h VAL 164 N 2.82 1.11 -2.38 -1.45 3.04 -1.38 -2.35 116.25 115.66 2iqx h VAL 164 Ca -0.49 -2.38 -0.07 0.00 -1.01 0.00 0.00 66.70 62.75 2iqx h VAL 164 Cb 1.26 2.42 -0.19 0.00 -2.01 0.00 0.00 31.29 32.77 2iqx h VAL 164 CO 0.64 0.59 0.05 0.00 -1.01 0.00 0.00 177.57 177.84 2iqx s ALA 165 N -3.06 -1.46 -0.02 3.17 0.00 -1.21 -1.51 121.76 117.67 2iqx s ALA 165 Ca 0.02 0.96 -0.30 0.00 0.00 0.00 0.00 51.96 52.64 2iqx s ALA 165 Cb 0.09 0.09 0.11 0.00 0.00 0.00 0.00 23.12 23.40 2iqx s ALA 165 CO 0.75 -0.37 1.04 0.20 0.00 0.00 0.00 175.76 177.38 2iqx s GLY 166 N -1.36 -0.37 0.38 0.00 0.00 -0.75 -1.60 107.32 103.62 2iqx s GLY 166 Ca -0.11 0.93 -0.11 0.00 0.00 0.00 0.00 44.72 45.44 2iqx s GLY 166 CO 0.07 0.29 0.69 -1.08 0.00 0.00 0.00 173.10 173.07 2iqx s THR 167 N -2.88 0.00 -0.13 0.90 -1.32 -0.66 -1.19 115.64 110.36 2iqx s THR 167 Ca 0.09 -1.19 -0.11 0.00 -1.21 0.00 0.00 61.69 59.27 2iqx s THR 167 Cb -0.00 -2.84 0.04 0.00 -1.51 0.00 0.00 72.50 68.18 2iqx s THR 167 CO -0.05 0.00 0.35 0.00 -2.21 0.00 0.00 174.62 172.71 2iqx s PHE 169 N 0.49 2.20 0.12 0.00 -0.12 -0.84 0.63 117.98 120.46 2iqx s PHE 169 Ca -0.02 -0.38 0.07 0.00 -0.05 0.00 0.00 56.93 56.54 2iqx s PHE 169 Cb -0.04 -1.09 -0.04 0.00 -0.63 0.00 0.00 43.02 41.21 2iqx s PHE 169 CO -0.03 0.46 -0.05 -0.65 -0.05 0.00 0.00 175.22 174.90 2iqx s GLN 170 N -2.66 2.30 -0.04 1.99 -0.21 0.31 -0.38 119.66 120.98 2iqx s GLN 170 Ca 0.19 -1.02 -0.19 0.00 0.02 0.00 0.00 55.36 54.37 2iqx s GLN 170 Cb -0.08 -2.37 0.04 0.00 1.00 0.00 0.00 33.01 31.60 2iqx s GLN 170 CO 0.09 0.50 0.42 0.00 -2.12 0.00 0.00 175.29 174.18 2iqx s ALA 171 N -1.41 -1.07 0.42 6.09 0.00 -0.86 0.17 121.76 125.10 2iqx s ALA 171 Ca 0.24 0.66 0.03 0.00 0.00 0.00 0.00 51.96 52.90 2iqx s ALA 171 Cb -0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 2iqx s ALA 171 CO 0.16 -0.29 0.06 -1.83 0.00 0.00 0.00 175.76 173.87 2iqx s GLU 172 N -1.17 1.94 0.51 0.00 -1.05 -1.26 -0.83 118.70 116.83 2iqx s GLU 172 Ca -0.12 -2.16 -0.20 0.00 -0.15 0.00 0.00 54.97 52.34 2iqx s GLU 172 Cb -0.04 -1.05 -0.10 0.00 -0.44 0.00 0.00 34.13 32.50 2iqx s GLU 172 CO 0.06 -0.32 0.53 1.87 0.95 0.00 0.00 175.26 178.35 2iqx n TRP 173 N -0.96 -0.62 -3.72 4.83 -0.00 -1.26 -4.41 117.44 111.31 2iqx n TRP 173 Ca -0.08 0.50 -0.10 0.00 -0.00 0.00 0.00 57.50 57.81 2iqx n TRP 173 Cb 0.66 -1.97 -0.05 0.00 -0.00 0.00 0.00 31.31 29.95 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 -1.07 -0.18 0.19 5.87 -4.77 -1.26 -4.92 116.67 110.53 2iqx s ASP 174 Ca 0.66 -0.46 0.13 0.00 -3.30 0.00 0.00 52.55 49.57 2iqx s ASP 174 Cb -0.50 0.49 0.69 0.00 -1.09 0.00 0.00 42.92 42.51 2iqx s ASP 174 CO 0.56 -0.91 1.39 0.47 0.70 0.00 0.00 175.17 177.38 2iqx n ASP 175 N -0.24 0.33 0.10 2.11 9.92 -1.26 -1.34 116.55 126.17 2iqx n ASP 175 Ca -0.13 0.65 0.13 0.00 -0.53 0.00 0.00 54.79 54.91 2iqx n ASP 175 Cb 0.63 -0.70 0.41 0.00 -0.64 0.00 0.00 41.12 40.83 2iqx n ASP 175 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2iqx n SER 176 N -1.94 0.80 -0.13 -2.24 3.41 -1.26 -4.17 113.62 108.08 2iqx n SER 176 Ca -0.01 0.58 -0.11 0.00 -0.26 0.00 0.00 58.87 59.06 2iqx n SER 176 Cb 0.02 -0.79 -0.02 0.00 -0.26 0.00 0.00 64.21 63.16 2iqx n SER 176 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2iqx h VAL 177 N 0.00 1.28 -1.00 -3.33 2.07 -1.54 -3.14 116.25 110.58 2iqx h VAL 177 Ca 0.00 -1.26 0.19 0.00 0.82 0.00 0.00 66.70 66.45 2iqx h VAL 177 Cb 0.72 1.27 -0.10 0.00 -1.52 0.00 0.00 31.29 31.66 2iqx h VAL 177 CO 0.00 0.42 0.61 -0.65 0.02 0.00 0.00 177.57 177.97 2iqx h PRO 178 N 0.59 0.73 -0.65 1.57 0.11 -1.78 -1.23 132.00 131.34 2iqx h PRO 178 Ca 0.09 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.08 2iqx h PRO 178 Cb 0.68 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.60 2iqx h PRO 178 CO 0.05 0.48 0.11 -0.22 -0.21 0.00 0.00 178.00 178.21 2iqx h LYS 179 N 0.75 1.08 -0.96 1.05 3.64 -1.81 -2.46 116.57 117.85 2iqx h LYS 179 Ca 0.57 -0.29 0.01 0.00 -1.27 0.00 0.00 60.65 59.67 2iqx h LYS 179 Cb 0.91 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.55 2iqx h LYS 179 CO -0.37 0.99 0.63 1.25 -2.27 0.00 0.00 179.45 179.68 2iqx h LEU 180 N 1.00 1.11 -0.52 5.20 6.46 -1.19 -1.40 115.31 125.96 2iqx h LEU 180 Ca 0.20 -0.04 -0.13 0.00 -0.12 0.00 0.00 57.88 57.80 2iqx h LEU 180 Cb 0.43 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.06 2iqx h LEU 180 CO 0.01 0.82 -0.60 0.45 -0.62 0.00 0.00 178.44 178.50 2iqx h HIS 181 N 1.31 0.00 -0.15 1.25 3.86 -1.20 -1.57 115.15 118.65 2iqx h HIS 181 Ca 0.35 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.56 2iqx h HIS 181 Cb -0.13 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 2iqx h HIS 181 CO 0.00 0.60 0.07 0.22 0.86 0.00 0.00 177.93 179.69 2iqx h ASP 182 N 0.00 0.20 -0.87 2.45 1.82 -1.08 -2.92 116.42 116.02 2iqx h ASP 182 Ca -0.01 -0.12 0.11 0.00 -0.39 0.00 0.00 57.03 56.63 2iqx h ASP 182 Cb 1.23 -0.05 -0.08 0.00 0.68 0.00 0.00 39.33 41.11 2iqx h ASP 182 CO 0.08 0.26 0.50 -0.61 -1.61 0.00 0.00 179.24 177.86 2iqx h GLN 183 N 0.12 0.78 0.00 0.28 4.15 -0.80 -2.35 115.11 117.28 2iqx h GLN 183 Ca 0.05 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2iqx h GLN 183 Cb 0.11 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.63 2iqx h GLN 183 CO -0.01 0.52 0.00 1.28 -1.93 0.00 0.00 178.83 178.69 2iqx n LEU 184 N -4.74 0.00 -0.34 -2.39 4.77 -0.63 -3.78 117.00 109.89 2iqx n LEU 184 Ca 0.15 0.06 0.12 0.00 -0.03 0.00 0.00 56.01 56.32 2iqx n LEU 184 Cb 0.32 -0.06 0.55 0.00 -2.33 0.00 0.00 43.42 41.91 2iqx n LEU 184 CO 0.26 -0.00 0.88 0.00 -1.33 0.00 0.00 177.39 177.19 2iqx n ALA 185 N -1.06 2.58 1.65 -1.18 0.00 -0.89 -2.40 120.51 119.22 2iqx n ALA 185 Ca 0.21 -0.37 0.15 0.00 0.00 0.00 0.00 53.44 53.42 2iqx n ALA 185 Cb 0.13 -1.22 0.65 0.00 0.00 0.00 0.00 19.45 19.00 2iqx n ALA 185 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91