#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aix s VAL 17 N 0.00 5.43 -1.42 1.39 1.01 0.22 -4.02 120.40 123.02 1aix s VAL 17 Ca 0.00 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 1aix s VAL 17 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1aix s VAL 17 CO 0.00 0.49 0.39 -0.62 0.00 0.00 0.00 175.10 175.36 1aix n GLU 18 N 3.09 -3.54 0.00 2.72 -0.58 -1.26 -2.74 120.64 118.34 1aix n GLU 18 Ca -0.17 0.82 0.00 0.00 -0.42 0.00 0.00 57.16 57.39 1aix n GLU 18 Cb 0.53 -5.42 0.00 0.00 -0.57 0.00 0.00 31.44 25.98 1aix n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1aix n GLY 19 N -1.32 1.44 3.16 0.62 0.00 -1.26 -4.67 105.19 103.16 1aix n GLY 19 Ca -0.13 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 43.84 1aix n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aix s SER 20 N -1.00 0.16 0.31 1.61 1.04 0.55 -4.91 113.70 111.46 1aix s SER 20 Ca 0.00 -0.60 -0.29 0.00 0.48 0.00 0.00 55.95 55.54 1aix s SER 20 Cb 0.00 0.28 -0.12 0.00 0.10 0.00 0.00 66.02 66.28 1aix s SER 20 CO 0.00 -0.62 1.48 0.47 0.98 0.00 0.00 173.24 175.55 1aix n ASP 21 N 0.34 3.45 -4.80 7.02 9.92 -1.26 -0.10 116.55 131.12 1aix n ASP 21 Ca -0.17 1.18 -0.34 0.00 -0.53 0.00 0.00 54.79 54.93 1aix n ASP 21 Cb 0.60 -1.55 -0.01 0.00 -0.64 0.00 0.00 41.12 39.52 1aix n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1aix s ALA 22 N -0.49 2.80 0.55 2.24 0.00 0.13 -4.75 121.76 122.24 1aix s ALA 22 Ca 0.60 0.54 -0.12 0.00 0.00 0.00 0.00 51.96 52.99 1aix s ALA 22 Cb -0.53 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.28 1aix s ALA 22 CO 0.55 -0.56 0.96 -1.21 0.00 0.00 0.00 175.76 175.50 1aix s GLU 23 N -3.58 3.70 0.07 0.00 2.02 -1.26 -4.92 118.70 114.74 1aix s GLU 23 Ca 0.66 0.70 -0.31 0.00 0.02 0.00 0.00 54.97 56.05 1aix s GLU 23 Cb -0.17 -2.16 -0.09 0.00 0.10 0.00 0.00 34.13 31.81 1aix s GLU 23 CO 0.27 -0.39 1.77 0.42 0.02 0.00 0.00 175.26 177.35 1aix s ILE 24 N -2.90 2.89 -0.72 -1.63 -1.09 -1.26 -1.88 121.20 114.61 1aix s ILE 24 Ca 0.55 0.27 0.00 0.00 -2.23 0.00 0.00 60.65 59.24 1aix s ILE 24 Cb -0.11 -3.18 0.00 0.00 -1.58 0.00 0.00 42.46 37.60 1aix s ILE 24 CO 0.45 -0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.76 1aix n GLY 25 N 4.18 0.89 0.16 6.18 0.00 -1.26 -4.92 105.19 110.42 1aix n GLY 25 Ca 0.17 -0.58 0.01 0.00 0.00 0.00 0.00 46.02 45.62 1aix n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1aix h MET 26 N 0.09 0.00 -2.12 1.61 -1.53 -1.75 -3.36 114.93 107.88 1aix h MET 26 Ca -0.14 0.00 -0.57 0.00 -3.44 0.00 0.00 59.70 55.55 1aix h MET 26 Cb 0.50 0.00 -0.38 0.00 -0.55 0.00 0.00 31.60 31.17 1aix h MET 26 CO 0.20 0.50 -1.05 0.45 0.14 0.00 0.00 176.91 177.15 1aix n SER 27 N -3.91 -0.13 -0.00 1.39 2.88 -1.26 -4.97 113.62 107.62 1aix n SER 27 Ca -0.01 -2.57 0.11 0.00 -1.33 0.00 0.00 58.87 55.07 1aix n SER 27 Cb 0.52 -0.58 0.68 0.00 -0.75 0.00 0.00 64.21 64.09 1aix n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1aix n PRO 28 N 1.97 1.00 0.00 -1.46 -0.04 -1.26 -1.19 135.00 134.02 1aix n PRO 28 Ca 0.24 -0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.82 1aix n PRO 28 Cb 0.51 -1.36 0.07 0.00 -0.04 0.00 0.00 33.50 32.69 1aix n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1aix n TRP 29 N -0.86 0.00 -1.82 0.54 2.14 -1.04 -0.94 117.44 115.46 1aix n TRP 29 Ca 0.17 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.32 1aix n TRP 29 Cb 0.08 -0.01 -0.03 0.00 -0.81 0.00 0.00 31.31 30.54 1aix n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1aix s GLN 30 N -2.35 4.16 -0.01 -2.67 2.00 -0.33 -0.22 119.66 120.23 1aix s GLN 30 Ca 0.22 2.51 0.05 0.00 -2.00 0.00 0.00 55.36 56.13 1aix s GLN 30 Cb 0.19 -3.09 -0.01 0.00 0.80 0.00 0.00 33.01 30.90 1aix s GLN 30 CO 0.50 -0.65 -0.16 0.08 -0.50 0.00 0.00 175.29 174.56 1aix s VAL 31 N 0.75 1.27 -0.23 1.34 1.01 -0.23 -3.98 120.40 120.32 1aix s VAL 31 Ca 0.69 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 1aix s VAL 31 Cb -0.47 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 1aix s VAL 31 CO 0.37 0.35 0.03 -0.32 0.00 0.00 0.00 175.10 175.52 1aix s MET 32 N -0.41 3.60 -0.30 2.72 1.75 -0.37 -0.85 119.30 125.44 1aix s MET 32 Ca 0.06 -0.51 -0.26 0.00 -1.25 0.00 0.00 55.69 53.73 1aix s MET 32 Cb -0.06 -3.18 0.01 0.00 2.84 0.00 0.00 34.83 34.43 1aix s MET 32 CO -0.01 -0.11 0.91 -0.51 -0.65 0.00 0.00 175.02 174.66 1aix s LEU 33 N 1.35 4.04 -0.08 4.11 1.43 -0.15 -1.06 118.68 128.32 1aix s LEU 33 Ca 0.05 0.88 0.03 0.00 -1.03 0.00 0.00 54.13 54.06 1aix s LEU 33 Cb -0.15 -3.28 0.01 0.00 0.03 0.00 0.00 46.19 42.80 1aix s LEU 33 CO 0.02 -0.70 -0.19 0.12 0.23 0.00 0.00 176.35 175.83 1aix s PHE 34 N 3.21 2.05 0.03 0.29 5.36 -0.11 0.80 117.98 129.59 1aix s PHE 34 Ca 0.38 -0.80 -0.30 0.00 -0.96 0.00 0.00 56.93 55.25 1aix s PHE 34 Cb -0.14 -1.41 -0.04 0.00 -0.34 0.00 0.00 43.02 41.10 1aix s PHE 34 CO 0.13 -0.34 0.99 0.50 -1.46 0.00 0.00 175.22 175.03 1aix s ARG 35 N 0.46 4.59 0.04 10.12 3.52 0.15 -0.92 118.95 136.91 1aix s ARG 35 Ca -0.16 1.45 -0.30 0.00 -0.13 0.00 0.00 55.73 56.59 1aix s ARG 35 Cb -0.17 -3.43 -0.17 0.00 -1.56 0.00 0.00 34.95 29.62 1aix s ARG 35 CO 0.06 0.00 1.40 0.87 -0.81 0.00 0.00 175.30 176.83 1aix h LYS 36 N 6.49 -0.79 -2.99 5.12 1.57 -1.78 -2.97 116.57 121.22 1aix h LYS 36 Ca -0.42 0.05 -0.22 0.00 -1.87 0.00 0.00 60.65 58.20 1aix h LYS 36 Cb 1.22 0.18 -0.31 0.00 0.08 0.00 0.00 32.23 33.39 1aix h LYS 36 CO 0.74 -0.48 -0.52 0.45 -0.57 0.00 0.00 179.45 179.07 1aix s SER 37 N -4.56 0.06 0.61 0.86 0.15 -1.26 -3.10 113.70 106.45 1aix s SER 37 Ca -0.16 0.51 -0.18 0.00 0.70 0.00 0.00 55.95 56.83 1aix s SER 37 Cb 0.03 0.48 -0.03 0.00 -1.71 0.00 0.00 66.02 64.79 1aix s SER 37 CO 0.55 -0.20 1.16 -2.16 1.20 0.00 0.00 173.24 173.80 1aix s PRO 37 N 1.75 2.94 -0.25 5.44 0.04 -1.26 -5.05 135.00 138.61 1aix s PRO 37 Ca -0.05 1.66 -0.29 0.00 0.04 0.00 0.00 61.00 62.37 1aix s PRO 37 Cb -0.11 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 1aix s PRO 37 CO -0.08 -1.19 1.82 -0.65 0.04 0.00 0.00 177.00 176.94 1aix s GLN 38 N -3.55 3.50 0.16 4.56 -0.21 -1.18 -4.68 119.66 118.26 1aix s GLN 38 Ca 0.73 1.69 -0.23 0.00 0.02 0.00 0.00 55.36 57.57 1aix s GLN 38 Cb -0.26 -4.17 0.07 0.00 1.00 0.00 0.00 33.01 29.64 1aix s GLN 38 CO 0.35 -1.66 0.64 -1.83 -2.12 0.00 0.00 175.29 170.66 1aix s GLU 39 N 5.38 1.31 0.03 2.91 -1.05 -1.12 -4.98 118.70 121.17 1aix s GLU 39 Ca 0.81 -0.52 -0.30 0.00 -0.15 0.00 0.00 54.97 54.81 1aix s GLU 39 Cb -0.26 0.58 -0.05 0.00 -0.44 0.00 0.00 34.13 33.95 1aix s GLU 39 CO 0.33 -0.58 1.17 -1.17 0.95 0.00 0.00 175.26 175.97 1aix s LEU 40 N -2.75 4.36 -0.21 1.83 0.20 -1.26 -0.67 118.68 120.17 1aix s LEU 40 Ca 0.02 1.93 0.12 0.00 0.69 0.00 0.00 54.13 56.90 1aix s LEU 40 Cb -0.02 -3.57 -0.22 0.00 -0.43 0.00 0.00 46.19 41.95 1aix s LEU 40 CO -0.10 -0.46 0.01 0.18 -0.29 0.00 0.00 176.35 175.69 1aix n LEU 41 N 4.14 1.03 0.00 -0.68 4.77 0.24 -4.87 117.00 121.63 1aix n LEU 41 Ca 0.09 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1aix n LEU 41 Cb 0.47 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1aix n LEU 41 CO 0.55 0.64 0.00 0.00 -1.33 0.00 0.00 177.39 177.25 1aix s GLY 43 N 0.00 1.75 0.23 0.00 0.00 0.20 -0.97 107.32 108.53 1aix s GLY 43 Ca 0.00 -1.43 -0.21 0.00 0.00 0.00 0.00 44.72 43.08 1aix s GLY 43 CO 0.00 -1.25 0.97 0.00 0.00 0.00 0.00 173.10 172.82 1aix s ALA 44 N -2.43 -1.39 -0.01 3.20 0.00 -0.03 -3.35 121.76 117.74 1aix s ALA 44 Ca 0.51 -0.39 -0.06 0.00 0.00 0.00 0.00 51.96 52.03 1aix s ALA 44 Cb -0.10 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.75 1aix s ALA 44 CO 0.34 -1.04 0.11 -1.54 0.00 0.00 0.00 175.76 173.63 1aix s SER 45 N -3.28 0.01 -0.29 0.00 1.04 -0.20 -1.07 113.70 109.91 1aix s SER 45 Ca 0.19 -0.11 -0.20 0.00 0.48 0.00 0.00 55.95 56.31 1aix s SER 45 Cb -0.03 0.21 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 1aix s SER 45 CO 0.06 -0.27 0.63 -0.22 0.98 0.00 0.00 173.24 174.43 1aix s LEU 46 N -0.97 4.12 0.00 2.42 2.96 0.69 -0.16 118.68 127.75 1aix s LEU 46 Ca -0.11 0.51 0.09 0.00 -0.22 0.00 0.00 54.13 54.41 1aix s LEU 46 Cb -0.06 -2.83 0.04 0.00 0.50 0.00 0.00 46.19 43.84 1aix s LEU 46 CO 0.01 -0.45 0.70 2.30 -1.32 0.00 0.00 176.35 177.58 1aix n ILE 47 N 5.34 0.00 -3.88 6.68 -5.35 -0.73 -1.81 119.36 119.62 1aix n ILE 47 Ca -0.01 -0.45 -0.01 0.00 -0.27 0.00 0.00 62.75 62.01 1aix n ILE 47 Cb 0.49 1.15 0.01 0.00 -1.74 0.00 0.00 39.64 39.55 1aix n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1aix s SER 48 N -1.04 -0.02 0.00 7.28 1.04 -1.22 -4.76 113.70 115.00 1aix s SER 48 Ca 0.09 -0.44 0.23 0.00 0.48 0.00 0.00 55.95 56.31 1aix s SER 48 Cb 0.08 0.35 1.35 0.00 0.10 0.00 0.00 66.02 67.89 1aix s SER 48 CO 0.17 -0.68 1.74 -0.90 0.98 0.00 0.00 173.24 174.55 1aix n ASP 49 N -1.03 0.00 -0.13 7.02 5.75 -1.26 -3.56 116.55 123.34 1aix n ASP 49 Ca -0.02 -0.65 0.00 0.00 -0.01 0.00 0.00 54.79 54.12 1aix n ASP 49 Cb 0.60 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 1aix n ASP 49 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1aix n ARG 50 N -1.03 0.00 -4.36 0.11 0.63 -1.26 -0.98 116.66 109.77 1aix n ARG 50 Ca 0.17 -0.46 -0.20 0.00 -0.92 0.00 0.00 57.85 56.44 1aix n ARG 50 Cb 0.09 -0.36 -0.16 0.00 0.45 0.00 0.00 32.46 32.48 1aix n ARG 50 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1aix s TRP 51 N 0.00 0.92 -0.02 -0.14 0.52 -1.23 -0.58 118.94 118.41 1aix s TRP 51 Ca 0.00 -0.24 0.07 0.00 0.02 0.00 0.00 56.10 55.96 1aix s TRP 51 Cb 0.00 -0.67 -0.02 0.00 -1.15 0.00 0.00 33.47 31.63 1aix s TRP 51 CO 0.00 -0.11 -0.24 0.08 0.02 0.00 0.00 176.95 176.70 1aix s VAL 52 N 0.29 1.87 -0.10 4.03 1.01 -0.48 -1.77 120.40 125.25 1aix s VAL 52 Ca -0.05 -1.01 -0.00 0.00 0.00 0.00 0.00 61.98 60.92 1aix s VAL 52 Cb -0.09 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 1aix s VAL 52 CO 0.01 0.53 -0.09 -0.22 0.00 0.00 0.00 175.10 175.33 1aix s LEU 53 N -0.55 3.00 0.00 3.92 2.96 0.78 -1.32 118.68 127.47 1aix s LEU 53 Ca 0.09 -0.15 -0.03 0.00 -0.22 0.00 0.00 54.13 53.82 1aix s LEU 53 Cb -0.09 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 44.94 1aix s LEU 53 CO -0.01 0.26 0.30 1.07 -1.32 0.00 0.00 176.35 176.65 1aix n THR 54 N 2.88 0.00 -2.77 3.68 5.66 -0.52 -1.04 114.28 122.17 1aix n THR 54 Ca -0.18 -0.79 -0.40 0.00 -3.05 0.00 0.00 64.05 59.63 1aix n THR 54 Cb 0.53 0.54 -0.05 0.00 -1.55 0.00 0.00 70.33 69.80 1aix n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1aix s ALA 55 N -1.99 3.32 0.43 1.79 0.00 -1.26 -0.05 121.76 124.00 1aix s ALA 55 Ca 0.13 0.57 0.13 0.00 0.00 0.00 0.00 51.96 52.79 1aix s ALA 55 Cb -0.01 -3.21 1.01 0.00 0.00 0.00 0.00 23.12 20.91 1aix s ALA 55 CO 0.09 0.13 1.99 0.00 0.00 0.00 0.00 175.76 177.97 1aix h ALA 56 N 4.71 1.98 0.00 0.00 0.00 -1.64 -0.02 119.26 124.29 1aix h ALA 56 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1aix h ALA 56 Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1aix h ALA 56 CO 0.69 -0.10 0.00 -2.39 0.00 0.00 0.00 179.25 177.45 1aix n HIS 57 N -4.47 0.55 0.23 0.00 1.44 -1.26 -0.14 115.22 111.58 1aix n HIS 57 Ca 0.09 0.21 0.11 0.00 -2.01 0.00 0.00 57.72 56.11 1aix n HIS 57 Cb 0.33 -0.84 0.53 0.00 0.12 0.00 0.00 29.99 30.14 1aix n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1aix n LEU 59 N -3.45 2.06 -3.69 0.00 4.77 -0.50 -4.90 117.00 111.30 1aix n LEU 59 Ca -0.00 -0.06 -0.24 0.00 -0.03 0.00 0.00 56.01 55.68 1aix n LEU 59 Cb 0.38 -0.28 -0.17 0.00 -2.33 0.00 0.00 43.42 41.01 1aix n LEU 59 CO 0.32 0.62 -0.35 -0.22 -1.33 0.00 0.00 177.39 176.43 1aix s LEU 60 N -5.60 0.49 0.15 2.23 2.96 0.81 -0.80 118.68 118.92 1aix s LEU 60 Ca -0.16 -0.34 -0.18 0.00 -0.22 0.00 0.00 54.13 53.23 1aix s LEU 60 Cb 0.05 -0.32 0.04 0.00 0.50 0.00 0.00 46.19 46.46 1aix s LEU 60 CO 0.40 -0.28 0.48 -0.47 -1.32 0.00 0.00 176.35 175.16 1aix s TYR 60 N 2.06 -0.28 0.00 5.38 5.04 0.13 -4.00 117.35 125.68 1aix s TYR 60 Ca 0.03 -0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.65 1aix s TYR 60 Cb -0.14 0.37 0.00 0.00 0.35 0.00 0.00 41.96 42.53 1aix s TYR 60 CO -0.06 -0.78 0.00 -2.30 -1.34 0.00 0.00 175.55 171.07 1aix n PRO 60 N -0.29 0.00 -0.46 4.97 -0.02 -1.26 -2.10 135.00 135.84 1aix n PRO 60 Ca -0.15 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.41 1aix n PRO 60 Cb 0.64 0.00 0.26 0.00 -0.02 0.00 0.00 33.50 34.38 1aix n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1aix n TRP 60 N 0.00 1.01 -3.95 6.00 8.01 -1.26 -4.98 117.44 122.27 1aix n TRP 60 Ca 0.00 -0.81 -0.27 0.00 -1.31 0.00 0.00 57.50 55.11 1aix n TRP 60 Cb 0.00 -0.29 -0.01 0.00 -2.01 0.00 0.00 31.31 29.00 1aix n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1aix n ASP 60 N -0.21 -1.65 -4.60 -0.99 8.00 -1.12 -4.99 116.55 110.99 1aix n ASP 60 Ca 0.21 -0.94 -0.36 0.00 0.71 0.00 0.00 54.79 54.40 1aix n ASP 60 Cb 0.86 -3.31 -0.10 0.00 -0.02 0.00 0.00 41.12 38.55 1aix n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1aix s LYS 60 N -6.52 3.94 -0.44 -1.24 2.20 -0.89 -4.96 119.74 111.83 1aix s LYS 60 Ca 0.23 -0.34 0.07 0.00 -0.36 0.00 0.00 55.97 55.58 1aix s LYS 60 Cb -0.12 -3.46 0.26 0.00 -1.51 0.00 0.00 37.83 33.00 1aix s LYS 60 CO 0.87 -0.00 0.75 -1.71 -0.36 0.00 0.00 175.35 174.90 1aix n ASN 60 N 4.45 -1.27 -4.77 1.43 2.85 -1.23 -0.69 115.26 116.03 1aix n ASN 60 Ca -0.15 -3.07 -0.40 0.00 -0.11 0.00 0.00 54.58 50.85 1aix n ASN 60 Cb 0.52 0.62 -0.03 0.00 1.24 0.00 0.00 39.78 42.14 1aix n ASN 60 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1aix s PHE 60 N -0.39 3.19 0.47 1.20 0.08 0.02 -5.03 117.98 117.52 1aix s PHE 60 Ca 0.33 1.52 0.06 0.00 0.12 0.00 0.00 56.93 58.96 1aix s PHE 60 Cb 0.22 -3.52 0.06 0.00 -0.57 0.00 0.00 43.02 39.21 1aix s PHE 60 CO -0.16 -1.41 0.48 -2.37 -0.10 0.00 0.00 175.22 171.66 1aix n THR 60 N 0.75 0.00 -0.20 0.64 5.66 -1.26 -4.91 114.28 114.95 1aix n THR 60 Ca 0.01 -1.74 -0.01 0.00 -3.05 0.00 0.00 64.05 59.26 1aix n THR 60 Cb 0.43 -0.31 0.10 0.00 -1.55 0.00 0.00 70.33 69.01 1aix n THR 60 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1aix h GLU 61 N 0.00 0.44 -0.00 1.09 3.07 -1.93 -2.41 114.58 114.83 1aix h GLU 61 Ca -0.26 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 1aix h GLU 61 Cb 1.06 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.87 1aix h GLU 61 CO 0.40 0.29 0.00 0.09 -1.40 0.00 0.00 179.01 178.39 1aix n ASN 62 N -4.96 0.21 0.09 1.42 3.02 -1.26 -2.56 115.26 111.22 1aix n ASN 62 Ca 0.08 -1.11 0.13 0.00 -0.03 0.00 0.00 54.58 53.65 1aix n ASN 62 Cb 0.25 -0.00 0.32 0.00 -0.61 0.00 0.00 39.78 39.74 1aix n ASN 62 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1aix n ASP 63 N -0.82 0.80 -4.34 6.41 8.00 -0.91 -4.92 116.55 120.77 1aix n ASP 63 Ca 0.22 0.43 -0.17 0.00 0.71 0.00 0.00 54.79 55.97 1aix n ASP 63 Cb 0.14 -0.48 -0.10 0.00 -0.02 0.00 0.00 41.12 40.66 1aix n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1aix s LEU 64 N -4.47 2.10 0.09 0.64 1.43 -1.06 -2.32 118.68 115.09 1aix s LEU 64 Ca 0.09 -1.26 0.04 0.00 -1.03 0.00 0.00 54.13 51.96 1aix s LEU 64 Cb 0.12 -0.23 -0.03 0.00 0.03 0.00 0.00 46.19 46.08 1aix s LEU 64 CO 0.64 -0.56 -0.10 -0.76 0.23 0.00 0.00 176.35 175.80 1aix s LEU 65 N -3.33 2.39 -0.23 1.79 1.43 -0.10 -4.41 118.68 116.23 1aix s LEU 65 Ca 0.31 -0.79 -0.07 0.00 -1.03 0.00 0.00 54.13 52.55 1aix s LEU 65 Cb 0.06 -0.30 -0.03 0.00 0.03 0.00 0.00 46.19 45.95 1aix s LEU 65 CO 0.10 -0.25 0.06 -0.69 0.23 0.00 0.00 176.35 175.80 1aix s VAL 66 N -2.35 4.36 -0.29 -1.59 1.01 -0.02 -0.94 120.40 120.57 1aix s VAL 66 Ca 0.04 -0.17 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 1aix s VAL 66 Cb -0.03 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 1aix s VAL 66 CO 0.00 0.38 0.12 -0.13 0.00 0.00 0.00 175.10 175.47 1aix s ARG 67 N 1.25 3.38 -0.04 2.72 0.52 -0.22 -0.31 118.95 126.24 1aix s ARG 67 Ca 0.04 -0.68 0.03 0.00 -0.52 0.00 0.00 55.73 54.61 1aix s ARG 67 Cb -0.15 -3.49 -0.03 0.00 0.52 0.00 0.00 34.95 31.81 1aix s ARG 67 CO 0.03 -0.37 -0.13 0.42 0.02 0.00 0.00 175.30 175.28 1aix s ILE 68 N 1.60 3.18 0.00 1.52 1.01 0.25 -1.24 121.20 127.52 1aix s ILE 68 Ca 0.05 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.98 1aix s ILE 68 Cb -0.17 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.04 1aix s ILE 68 CO 0.05 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.17 1aix n GLY 69 N 2.21 0.77 3.82 6.18 0.00 -1.26 -0.62 105.19 116.30 1aix n GLY 69 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 1aix n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aix s LYS 70 N -0.97 2.75 0.16 1.61 1.02 -1.26 -4.13 119.74 118.92 1aix s LYS 70 Ca 0.00 0.90 0.00 0.00 0.02 0.00 0.00 55.97 56.89 1aix s LYS 70 Cb 0.00 -1.97 0.00 0.00 -0.52 0.00 0.00 37.83 35.34 1aix s LYS 70 CO 0.00 -1.22 0.00 1.58 -0.92 0.00 0.00 175.35 174.79 1aix n HIS 71 N -3.20 -1.32 -1.96 3.18 -0.00 -1.26 -4.96 115.22 105.70 1aix n HIS 71 Ca 0.07 0.23 -0.40 0.00 -0.00 0.00 0.00 57.72 57.63 1aix n HIS 71 Cb 0.54 0.44 -0.00 0.00 -0.00 0.00 0.00 29.99 30.97 1aix n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1aix s SER 72 N -5.13 6.34 0.01 0.26 0.15 -1.26 -0.50 113.70 113.56 1aix s SER 72 Ca 0.00 2.81 -0.25 0.00 0.70 0.00 0.00 55.95 59.21 1aix s SER 72 Cb 0.00 -2.65 -0.16 0.00 -1.71 0.00 0.00 66.02 61.50 1aix s SER 72 CO 0.00 -0.84 1.19 -0.09 1.20 0.00 0.00 173.24 174.69 1aix h ARG 73 N 2.85 -0.46 0.00 5.44 2.43 -1.20 -3.39 114.38 120.05 1aix h ARG 73 Ca -0.50 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1aix h ARG 73 Cb 1.24 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 1aix h ARG 73 CO 0.63 -0.15 -1.29 0.25 -1.51 0.00 0.00 179.97 177.90 1aix n THR 74 N -5.16 0.12 -2.07 0.20 -2.24 -1.26 -4.97 114.28 98.90 1aix n THR 74 Ca -0.10 -0.29 -0.33 0.00 -2.27 0.00 0.00 64.05 61.07 1aix n THR 74 Cb 0.28 0.26 0.01 0.00 -2.10 0.00 0.00 70.33 68.77 1aix n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1aix s ARG 75 N -3.26 3.37 -0.48 -0.78 3.00 -1.26 -4.97 118.95 114.56 1aix s ARG 75 Ca 0.01 1.18 -0.23 0.00 0.00 0.00 0.00 55.73 56.69 1aix s ARG 75 Cb 0.14 -2.04 0.03 0.00 0.00 0.00 0.00 34.95 33.08 1aix s ARG 75 CO 0.84 -0.77 0.82 -0.47 0.00 0.00 0.00 175.30 175.72 1aix s TYR 76 N -2.47 2.94 -1.34 -0.53 5.04 -1.26 -4.93 117.35 114.80 1aix s TYR 76 Ca 0.63 0.08 -0.09 0.00 -2.44 0.00 0.00 57.07 55.25 1aix s TYR 76 Cb -0.15 -3.77 0.12 0.00 0.35 0.00 0.00 41.96 38.50 1aix s TYR 76 CO 0.37 -1.09 2.14 0.39 -1.34 0.00 0.00 175.55 176.02 1aix n GLU 77 N 6.88 3.78 -1.59 4.97 1.02 -1.26 -4.96 120.64 129.48 1aix n GLU 77 Ca 0.02 -3.28 -0.48 0.00 -0.02 0.00 0.00 57.16 53.40 1aix n GLU 77 Cb 0.48 -2.89 -0.03 0.00 -0.02 0.00 0.00 31.44 28.98 1aix n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1aix n ARG 77 N 3.58 1.27 -0.52 3.49 0.63 -1.26 -0.89 116.66 122.97 1aix n ARG 77 Ca 0.50 0.45 0.00 0.00 -0.92 0.00 0.00 57.85 57.88 1aix n ARG 77 Cb 0.33 -1.94 0.00 0.00 0.45 0.00 0.00 32.46 31.30 1aix n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1aix n ASN 78 N 1.90 0.00 0.04 6.15 5.03 -1.26 -4.81 115.26 122.31 1aix n ASN 78 Ca 0.14 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.59 1aix n ASN 78 Cb 0.26 -0.69 0.00 0.00 -1.02 0.00 0.00 39.78 38.34 1aix n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1aix n ILE 79 N -2.00 1.00 -2.00 2.41 5.41 -0.07 -5.05 119.36 119.06 1aix n ILE 79 Ca 0.00 0.33 -0.33 0.00 1.00 0.00 0.00 62.75 63.75 1aix n ILE 79 Cb 0.00 -1.57 0.02 0.00 -0.71 0.00 0.00 39.64 37.38 1aix n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1aix s GLU 80 N -2.00 3.15 -0.00 0.38 -1.05 -0.63 -4.76 118.70 113.80 1aix s GLU 80 Ca 0.00 1.36 0.08 0.00 -0.15 0.00 0.00 54.97 56.26 1aix s GLU 80 Cb 0.00 -2.00 -0.02 0.00 -0.44 0.00 0.00 34.13 31.67 1aix s GLU 80 CO 0.00 -0.97 -0.26 0.15 0.95 0.00 0.00 175.26 175.14 1aix s LYS 81 N -3.89 1.99 -0.16 -4.83 -0.14 0.21 -4.90 119.74 108.02 1aix s LYS 81 Ca 0.67 -0.97 0.01 0.00 -1.36 0.00 0.00 55.97 54.32 1aix s LYS 81 Cb -0.19 -2.00 0.02 0.00 -1.68 0.00 0.00 37.83 33.98 1aix s LYS 81 CO 0.36 0.54 -0.20 0.42 -0.76 0.00 0.00 175.35 175.70 1aix s ILE 82 N -0.66 2.04 0.15 2.17 1.01 -1.26 -0.58 121.20 124.06 1aix s ILE 82 Ca 0.10 -0.94 0.08 0.00 0.00 0.00 0.00 60.65 59.89 1aix s ILE 82 Cb -0.10 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 1aix s ILE 82 CO -0.00 0.54 -0.17 -0.44 0.00 0.00 0.00 174.94 174.87 1aix s SER 83 N 1.14 2.44 0.19 3.58 0.01 0.57 -4.97 113.70 116.66 1aix s SER 83 Ca 0.01 -0.85 0.02 0.00 1.31 0.00 0.00 55.95 56.44 1aix s SER 83 Cb -0.14 -0.13 -0.04 0.00 0.21 0.00 0.00 66.02 65.93 1aix s SER 83 CO -0.09 -0.08 0.34 -0.04 0.41 0.00 0.00 173.24 173.77 1aix s MET 84 N -2.81 3.46 -0.11 12.44 -1.94 -1.26 -0.84 119.30 128.24 1aix s MET 84 Ca 0.14 -0.56 -0.13 0.00 -1.71 0.00 0.00 55.69 53.42 1aix s MET 84 Cb -0.05 -2.91 -0.05 0.00 2.01 0.00 0.00 34.83 33.84 1aix s MET 84 CO 0.05 0.46 0.32 -0.51 -0.01 0.00 0.00 175.02 175.32 1aix s LEU 85 N -3.47 4.33 -0.04 -0.03 1.43 -1.26 -1.12 118.68 118.52 1aix s LEU 85 Ca 0.36 0.64 -0.14 0.00 -1.03 0.00 0.00 54.13 53.96 1aix s LEU 85 Cb -0.11 -2.41 -0.31 0.00 0.03 0.00 0.00 46.19 43.39 1aix s LEU 85 CO 0.29 0.19 0.75 -0.08 0.23 0.00 0.00 176.35 177.73 1aix h GLU 86 N 5.94 0.40 -1.95 1.70 4.81 -1.20 -3.43 114.58 120.84 1aix h GLU 86 Ca -0.46 -0.68 -0.03 0.00 -0.13 0.00 0.00 59.36 58.06 1aix h GLU 86 Cb 1.19 0.25 -0.21 0.00 0.63 0.00 0.00 28.75 30.61 1aix h GLU 86 CO 0.70 1.32 0.19 0.21 -0.73 0.00 0.00 179.01 180.70 1aix s LYS 87 N -2.55 0.86 -0.12 1.92 2.47 -1.00 -4.97 119.74 116.35 1aix s LYS 87 Ca -0.15 0.74 -0.03 0.00 -1.56 0.00 0.00 55.97 54.98 1aix s LYS 87 Cb 0.04 0.42 -0.03 0.00 -1.46 0.00 0.00 37.83 36.80 1aix s LYS 87 CO 0.86 -0.16 -0.03 0.42 0.16 0.00 0.00 175.35 176.60 1aix s ILE 88 N -0.10 3.99 -0.20 5.43 1.01 -1.26 0.03 121.20 130.11 1aix s ILE 88 Ca -0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 1aix s ILE 88 Cb -0.04 -2.71 0.05 0.00 0.01 0.00 0.00 42.46 39.77 1aix s ILE 88 CO 0.03 0.54 -0.03 -0.31 0.00 0.00 0.00 174.94 175.17 1aix s TYR 89 N -0.14 1.73 -0.03 3.97 1.51 0.82 -4.99 117.35 120.21 1aix s TYR 89 Ca 0.03 -1.23 -0.13 0.00 -1.01 0.00 0.00 57.07 54.73 1aix s TYR 89 Cb -0.13 -1.31 -0.05 0.00 -0.11 0.00 0.00 41.96 40.36 1aix s TYR 89 CO 0.02 -0.66 0.35 0.42 -1.11 0.00 0.00 175.55 174.58 1aix s ILE 90 N 1.62 5.13 0.06 2.71 1.01 -1.26 -0.29 121.20 130.17 1aix s ILE 90 Ca -0.02 0.71 -0.36 0.00 0.00 0.00 0.00 60.65 60.98 1aix s ILE 90 Cb -0.17 -3.65 -0.15 0.00 0.01 0.00 0.00 42.46 38.49 1aix s ILE 90 CO -0.07 0.58 1.49 1.57 0.00 0.00 0.00 174.94 178.51 1aix n HIS 91 N 1.95 1.86 0.30 3.97 -0.00 -1.10 -4.82 115.22 117.38 1aix n HIS 91 Ca -0.15 0.47 0.18 0.00 -0.00 0.00 0.00 57.72 58.22 1aix n HIS 91 Cb 0.53 -2.43 0.85 0.00 -0.00 0.00 0.00 29.99 28.93 1aix n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1aix h PRO 92 N 5.58 0.00 -0.27 1.57 0.13 -1.95 -1.82 132.00 135.24 1aix h PRO 92 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 1aix h PRO 92 Cb 1.30 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.39 1aix h PRO 92 CO 0.84 0.00 -0.04 0.54 -0.23 0.00 0.00 178.00 179.11 1aix n ARG 93 N -2.87 2.23 -1.66 0.86 1.74 -1.26 -4.96 116.66 110.74 1aix n ARG 93 Ca -0.01 -2.97 -0.50 0.00 -0.77 0.00 0.00 57.85 53.60 1aix n ARG 93 Cb 0.18 -1.79 -0.05 0.00 -1.02 0.00 0.00 32.46 29.77 1aix n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1aix n TYR 94 N -0.90 2.07 -3.41 -1.55 9.36 -0.69 -4.70 117.16 117.33 1aix n TYR 94 Ca 0.26 0.33 -0.43 0.00 3.32 0.00 0.00 57.90 61.38 1aix n TYR 94 Cb 0.93 -2.51 -0.02 0.00 -0.63 0.00 0.00 39.34 37.10 1aix n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1aix s ASN 95 N 2.25 6.87 0.35 2.98 3.84 0.70 -4.83 114.94 127.09 1aix s ASN 95 Ca 0.88 -3.43 0.17 0.00 0.21 0.00 0.00 52.86 50.69 1aix s ASN 95 Cb -0.83 -2.13 0.58 0.00 -0.55 0.00 0.00 41.25 38.32 1aix s ASN 95 CO 0.50 -0.32 1.69 4.11 -2.79 0.00 0.00 177.10 180.29 1aix h TRP 96 N 6.75 0.00 0.00 0.43 5.08 -1.91 0.03 115.95 126.33 1aix h TRP 96 Ca 0.15 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 60.07 1aix h TRP 96 Cb 0.90 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.05 1aix h TRP 96 CO 0.80 0.43 -0.27 0.00 -1.28 0.00 0.00 178.44 178.12 1aix h ARG 97 N 0.00 0.00 0.00 0.12 3.08 -1.99 -3.43 114.38 112.16 1aix h ARG 97 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1aix h ARG 97 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.02 1aix h ARG 97 CO 0.06 0.27 0.00 -1.91 -1.07 0.00 0.00 179.97 177.31 1aix n GLU 97 N -3.60 0.00 -0.15 0.04 2.13 -1.25 -5.00 120.64 112.81 1aix n GLU 97 Ca -0.01 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.82 1aix n GLU 97 Cb 0.40 -0.39 0.01 0.00 0.27 0.00 0.00 31.44 31.73 1aix n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1aix n ASN 98 N -3.44 0.50 -1.55 4.31 6.94 -1.22 -4.96 115.26 115.83 1aix n ASN 98 Ca 0.00 -1.63 -0.15 0.00 -0.02 0.00 0.00 54.58 52.78 1aix n ASN 98 Cb 0.00 -0.10 -0.03 0.00 -2.36 0.00 0.00 39.78 37.30 1aix n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1aix n LEU 99 N -0.20 -1.51 -4.76 -4.53 4.32 -0.01 -4.95 117.00 105.36 1aix n LEU 99 Ca 0.01 0.11 -0.41 0.00 -0.02 0.00 0.00 56.01 55.70 1aix n LEU 99 Cb 0.54 -2.25 -0.01 0.00 -1.62 0.00 0.00 43.42 40.07 1aix n LEU 99 CO 0.00 -0.36 1.18 -0.62 -1.22 0.00 0.00 177.39 176.37 1aix s ASP 100 N -2.48 6.38 -0.87 -1.43 2.15 -1.22 -2.59 116.67 116.62 1aix s ASP 100 Ca 0.00 2.98 -0.03 0.00 0.43 0.00 0.00 52.55 55.93 1aix s ASP 100 Cb 0.00 -2.65 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1aix s ASP 100 CO 0.00 -0.87 0.74 0.54 -0.17 0.00 0.00 175.17 175.41 1aix n ARG 101 N 1.35 -4.94 -2.60 4.34 1.74 -1.26 -0.22 116.66 115.07 1aix n ARG 101 Ca 0.04 0.58 -0.43 0.00 -0.77 0.00 0.00 57.85 57.27 1aix n ARG 101 Cb 0.38 -4.81 -0.01 0.00 -1.02 0.00 0.00 32.46 27.00 1aix n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1aix s ASP 102 N -3.63 6.78 -0.11 0.55 2.15 -1.07 -4.32 116.67 117.03 1aix s ASP 102 Ca 0.17 -2.27 -0.11 0.00 0.43 0.00 0.00 52.55 50.77 1aix s ASP 102 Cb -0.07 -2.57 0.03 0.00 -0.30 0.00 0.00 42.92 40.01 1aix s ASP 102 CO 0.50 -1.21 0.30 -0.51 -0.17 0.00 0.00 175.17 174.08 1aix s ILE 103 N 4.22 0.00 0.11 4.11 2.07 -1.26 -3.72 121.20 126.72 1aix s ILE 103 Ca 0.51 -0.04 -0.06 0.00 -1.41 0.00 0.00 60.65 59.65 1aix s ILE 103 Cb 0.03 -0.44 -0.01 0.00 0.13 0.00 0.00 42.46 42.17 1aix s ILE 103 CO 0.04 -0.02 0.16 0.00 -1.91 0.00 0.00 174.94 173.21 1aix s ALA 104 N 0.05 0.09 0.06 1.50 0.00 0.93 -2.70 121.76 121.71 1aix s ALA 104 Ca -0.01 -0.89 0.08 0.00 0.00 0.00 0.00 51.96 51.14 1aix s ALA 104 Cb -0.02 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.66 1aix s ALA 104 CO 0.01 -0.52 -0.23 -0.51 0.00 0.00 0.00 175.76 174.51 1aix s LEU 105 N -2.92 2.21 -0.15 0.00 1.43 0.60 -1.44 118.68 118.40 1aix s LEU 105 Ca 0.11 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1aix s LEU 105 Cb 0.05 -1.05 0.03 0.00 0.03 0.00 0.00 46.19 45.25 1aix s LEU 105 CO -0.06 0.16 -0.12 -0.04 0.23 0.00 0.00 176.35 176.52 1aix s MET 106 N -1.42 2.06 -0.18 1.70 -1.94 -0.44 -0.13 119.30 118.96 1aix s MET 106 Ca 0.09 -0.52 -0.21 0.00 -1.71 0.00 0.00 55.69 53.34 1aix s MET 106 Cb -0.09 -2.02 -0.03 0.00 2.01 0.00 0.00 34.83 34.70 1aix s MET 106 CO 0.03 -0.27 0.62 0.21 -0.01 0.00 0.00 175.02 175.59 1aix s LYS 107 N 1.53 4.24 0.41 2.03 2.20 0.11 -1.38 119.74 128.88 1aix s LYS 107 Ca 0.04 0.61 -0.24 0.00 -0.36 0.00 0.00 55.97 56.03 1aix s LYS 107 Cb -0.13 -3.55 -0.08 0.00 -1.51 0.00 0.00 37.83 32.55 1aix s LYS 107 CO -0.10 -0.17 1.10 -0.51 -0.36 0.00 0.00 175.35 175.31 1aix s LEU 108 N 1.69 4.12 0.25 5.43 1.43 0.25 -0.82 118.68 131.02 1aix s LEU 108 Ca 0.29 2.16 -0.06 0.00 -1.03 0.00 0.00 54.13 55.49 1aix s LEU 108 Cb -0.16 -4.17 0.25 0.00 0.03 0.00 0.00 46.19 42.15 1aix s LEU 108 CO 0.11 -0.63 1.91 0.11 0.23 0.00 0.00 176.35 178.09 1aix h LYS 109 N 2.42 1.31 -5.38 1.70 1.57 -1.40 -3.40 116.57 113.39 1aix h LYS 109 Ca -0.49 -0.09 -0.41 0.00 -1.87 0.00 0.00 60.65 57.79 1aix h LYS 109 Cb 1.23 -0.29 -0.18 0.00 0.08 0.00 0.00 32.23 33.07 1aix h LYS 109 CO 0.62 0.89 -0.75 0.15 -0.57 0.00 0.00 179.45 179.78 1aix s LYS 110 N -6.06 1.02 0.32 3.15 1.02 -1.26 -4.94 119.74 112.99 1aix s LYS 110 Ca -0.13 -1.26 -0.29 0.00 0.02 0.00 0.00 55.97 54.32 1aix s LYS 110 Cb 0.18 -0.87 -0.10 0.00 -0.52 0.00 0.00 37.83 36.51 1aix s LYS 110 CO 0.82 0.16 1.29 -1.25 -0.92 0.00 0.00 175.35 175.45 1aix s PRO 111 N -2.77 4.39 0.29 -1.68 0.04 -1.26 -4.87 135.00 129.14 1aix s PRO 111 Ca 0.10 2.17 -0.09 0.00 0.04 0.00 0.00 61.00 63.21 1aix s PRO 111 Cb -0.04 -3.09 -0.07 0.00 0.04 0.00 0.00 34.50 31.34 1aix s PRO 111 CO 0.03 -0.15 0.62 0.54 0.04 0.00 0.00 177.00 178.08 1aix s VAL 112 N -1.06 4.89 0.12 -0.36 0.11 -0.16 -5.02 120.40 118.92 1aix s VAL 112 Ca 0.49 0.47 -0.22 0.00 -2.93 0.00 0.00 61.98 59.79 1aix s VAL 112 Cb -0.39 -3.67 -0.07 0.00 -1.53 0.00 0.00 36.38 30.72 1aix s VAL 112 CO 0.51 -0.24 0.67 0.00 -3.33 0.00 0.00 175.10 172.71 1aix s ALA 113 N -2.02 3.52 0.52 1.54 0.00 -1.26 -4.85 121.76 119.21 1aix s ALA 113 Ca 0.48 0.20 -0.15 0.00 0.00 0.00 0.00 51.96 52.49 1aix s ALA 113 Cb -0.11 -2.80 -0.07 0.00 0.00 0.00 0.00 23.12 20.14 1aix s ALA 113 CO 0.25 0.34 0.97 -0.06 0.00 0.00 0.00 175.76 177.26 1aix s PHE 114 N -1.10 3.48 0.00 0.00 0.08 -1.26 -4.86 117.98 114.32 1aix s PHE 114 Ca 0.32 1.39 0.00 0.00 0.12 0.00 0.00 56.93 58.77 1aix s PHE 114 Cb -0.21 -2.74 0.00 0.00 -0.57 0.00 0.00 43.02 39.49 1aix s PHE 114 CO 0.23 -0.39 0.00 -1.13 -0.10 0.00 0.00 175.22 173.83 1aix n SER 115 N -1.73 0.00 0.25 1.36 3.41 -0.49 -4.95 113.62 111.46 1aix n SER 115 Ca 0.06 -0.47 0.16 0.00 -0.26 0.00 0.00 58.87 58.36 1aix n SER 115 Cb 0.54 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 65.11 1aix n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1aix h ASP 116 N 0.00 0.00 -0.00 4.04 3.32 -1.98 -3.18 116.42 118.61 1aix h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1aix h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1aix h ASP 116 CO 0.00 0.00 -0.31 -1.22 -1.72 0.00 0.00 179.24 175.99 1aix n TYR 117 N -2.92 0.00 -3.95 4.55 4.01 -1.26 -4.76 117.16 112.82 1aix n TYR 117 Ca 0.01 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.48 1aix n TYR 117 Cb 0.31 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.17 1aix n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1aix s ILE 118 N -1.59 1.13 -0.28 -0.72 1.01 -1.20 -4.12 121.20 115.42 1aix s ILE 118 Ca 0.04 -0.36 -0.24 0.00 0.00 0.00 0.00 60.65 60.10 1aix s ILE 118 Cb 0.06 -1.12 0.13 0.00 0.01 0.00 0.00 42.46 41.54 1aix s ILE 118 CO 0.29 0.38 1.06 -2.28 0.00 0.00 0.00 174.94 174.40 1aix s HIS 119 N 1.63 -0.45 0.36 3.97 2.46 -0.12 -1.40 115.29 121.75 1aix s HIS 119 Ca 0.04 1.06 -0.24 0.00 0.47 0.00 0.00 55.06 56.39 1aix s HIS 119 Cb -0.13 0.37 -0.10 0.00 -0.13 0.00 0.00 32.58 32.59 1aix s HIS 119 CO -0.08 -0.22 0.95 -1.25 -2.47 0.00 0.00 174.74 171.67 1aix s PRO 120 N 0.34 4.45 0.26 2.88 0.04 -1.26 -2.50 135.00 139.22 1aix s PRO 120 Ca 0.02 1.27 -0.02 0.00 0.04 0.00 0.00 61.00 62.31 1aix s PRO 120 Cb -0.05 -2.59 -0.05 0.00 0.04 0.00 0.00 34.50 31.85 1aix s PRO 120 CO -0.08 0.16 0.49 0.54 0.04 0.00 0.00 177.00 178.15 1aix s VAL 121 N -1.79 5.11 0.39 -0.36 0.11 -0.75 -4.92 120.40 118.19 1aix s VAL 121 Ca 0.54 -0.19 -0.10 0.00 -2.93 0.00 0.00 61.98 59.30 1aix s VAL 121 Cb -0.16 -3.75 -0.06 0.00 -1.53 0.00 0.00 36.38 30.88 1aix s VAL 121 CO 0.21 -0.30 0.75 0.00 -3.33 0.00 0.00 175.10 172.43 1aix s LEU 123 N -3.83 3.86 0.59 0.00 1.43 -1.26 -0.89 118.68 118.57 1aix s LEU 123 Ca 0.50 0.19 -0.18 0.00 -1.03 0.00 0.00 54.13 53.62 1aix s LEU 123 Cb -0.10 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 1aix s LEU 123 CO 0.31 0.31 1.14 -2.16 0.23 0.00 0.00 176.35 176.18 1aix s PRO 124 N -0.44 3.11 0.57 1.29 0.04 -1.26 -4.96 135.00 133.36 1aix s PRO 124 Ca 0.09 1.59 0.08 0.00 0.04 0.00 0.00 61.00 62.80 1aix s PRO 124 Cb -0.12 -1.97 0.07 0.00 0.04 0.00 0.00 34.50 32.52 1aix s PRO 124 CO 0.02 -1.04 0.64 0.16 0.04 0.00 0.00 177.00 176.82 1aix s ASP 125 N -1.96 4.88 0.21 6.66 1.47 -1.26 -4.85 116.67 121.81 1aix s ASP 125 Ca 0.72 -1.04 -0.09 0.00 1.18 0.00 0.00 52.55 53.31 1aix s ASP 125 Cb -0.24 0.41 0.30 0.00 -0.34 0.00 0.00 42.92 43.05 1aix s ASP 125 CO 0.32 -1.28 1.72 -0.09 0.68 0.00 0.00 175.17 176.52 1aix h ARG 126 N 0.39 0.30 -0.66 2.11 2.43 -1.97 -2.30 114.38 114.69 1aix h ARG 126 Ca -0.32 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 58.74 1aix h ARG 126 Cb 1.30 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 1aix h ARG 126 CO 0.47 0.20 0.08 1.49 -1.51 0.00 0.00 179.97 180.71 1aix h GLU 127 N 0.31 1.11 0.00 0.20 4.22 -2.04 0.61 114.58 119.00 1aix h GLU 127 Ca 0.32 -0.31 0.00 0.00 0.08 0.00 0.00 59.36 59.45 1aix h GLU 127 Cb 0.45 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1aix h GLU 127 CO -0.37 1.03 0.00 2.41 -2.18 0.00 0.00 179.01 179.90 1aix n THR 128 N -4.20 0.00 0.00 0.32 -1.04 -0.87 -0.75 114.28 107.74 1aix n THR 128 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1aix n THR 128 Cb 0.31 -0.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.59 1aix n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1aix n ALA 129 N 0.04 0.00 0.08 2.41 0.00 0.21 -0.95 120.51 122.30 1aix n ALA 129 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1aix n ALA 129 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1aix n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1aix h SER 129 N 0.00 0.24 0.00 0.00 4.64 -1.20 -3.38 113.55 113.85 1aix h SER 129 Ca 0.00 -0.22 -0.05 0.00 -0.47 0.00 0.00 61.79 61.04 1aix h SER 129 Cb 0.00 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1aix h SER 129 CO 0.00 1.10 -1.84 0.18 -0.87 0.00 0.00 176.83 175.40 1aix n LEU 129 N -3.56 0.00 -3.74 5.97 4.77 -0.13 -4.68 117.00 115.63 1aix n LEU 129 Ca -0.04 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.52 1aix n LEU 129 Cb 0.89 0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 42.06 1aix n LEU 129 CO 0.49 0.07 2.37 0.18 -1.33 0.00 0.00 177.39 179.18 1aix n LEU 130 N -2.19 7.01 -4.15 2.23 4.77 -1.26 -4.81 117.00 118.60 1aix n LEU 130 Ca -0.07 -4.46 -0.23 0.00 -0.03 0.00 0.00 56.01 51.22 1aix n LEU 130 Cb 0.55 -1.54 -0.15 0.00 -2.33 0.00 0.00 43.42 39.96 1aix n LEU 130 CO 0.35 1.39 -0.49 -1.10 -1.33 0.00 0.00 177.39 176.22 1aix s GLN 131 N 1.42 1.20 0.16 3.23 -0.21 -1.26 -4.95 119.66 119.25 1aix s GLN 131 Ca 0.46 -0.67 -0.34 0.00 0.02 0.00 0.00 55.36 54.83 1aix s GLN 131 Cb 0.13 -1.19 -0.14 0.00 1.00 0.00 0.00 33.01 32.80 1aix s GLN 131 CO -0.04 0.32 1.47 0.00 -2.12 0.00 0.00 175.29 174.92 1aix n ALA 132 N 2.36 0.70 0.00 6.09 0.00 -1.26 -1.38 120.51 127.02 1aix n ALA 132 Ca -0.16 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1aix n ALA 132 Cb 0.54 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1aix n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aix n GLY 133 N 2.93 2.83 3.73 0.00 0.00 -0.41 -4.97 105.19 109.31 1aix n GLY 133 Ca 0.16 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1aix n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aix s TYR 134 N -2.20 3.16 -0.01 1.61 1.51 -0.48 -4.66 117.35 116.27 1aix s TYR 134 Ca 0.00 1.04 -0.06 0.00 -1.01 0.00 0.00 57.07 57.04 1aix s TYR 134 Cb 0.00 -3.72 -0.05 0.00 -0.11 0.00 0.00 41.96 38.08 1aix s TYR 134 CO 0.00 -2.39 0.24 0.15 -1.11 0.00 0.00 175.55 172.44 1aix s LYS 135 N 0.17 3.56 0.49 -0.62 1.02 -1.26 -1.00 119.74 122.09 1aix s LYS 135 Ca 0.60 -0.09 0.04 0.00 0.02 0.00 0.00 55.97 56.54 1aix s LYS 135 Cb -0.39 -3.10 -0.01 0.00 -0.52 0.00 0.00 37.83 33.80 1aix s LYS 135 CO 0.38 0.67 0.15 0.20 -0.92 0.00 0.00 175.35 175.83 1aix s GLY 136 N -1.60 2.65 -0.08 -3.33 0.00 -0.03 -4.84 107.32 100.10 1aix s GLY 136 Ca 0.25 -1.19 0.02 0.00 0.00 0.00 0.00 44.72 43.81 1aix s GLY 136 CO 0.14 -2.06 -0.14 -1.60 0.00 0.00 0.00 173.10 169.45 1aix s ARG 137 N -3.97 1.94 -0.09 2.90 3.52 0.27 -1.24 118.95 122.27 1aix s ARG 137 Ca 0.24 -0.49 0.02 0.00 -0.13 0.00 0.00 55.73 55.37 1aix s ARG 137 Cb 0.02 -1.60 -0.02 0.00 -1.56 0.00 0.00 34.95 31.79 1aix s ARG 137 CO 0.14 0.02 -0.13 0.08 -0.81 0.00 0.00 175.30 174.59 1aix s VAL 138 N 0.73 3.10 0.07 7.11 1.01 0.03 -0.44 120.40 132.00 1aix s VAL 138 Ca -0.13 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.21 1aix s VAL 138 Cb -0.16 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1aix s VAL 138 CO 0.03 0.56 -0.11 0.42 0.00 0.00 0.00 175.10 176.00 1aix s THR 139 N -0.23 0.86 0.00 3.92 -4.23 -1.24 -1.93 115.64 112.78 1aix s THR 139 Ca 0.01 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1aix s THR 139 Cb -0.13 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 72.76 1aix s THR 139 CO 0.03 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 1aix n GLY 140 N 1.20 0.62 1.19 3.99 0.00 -0.92 -4.47 105.19 106.80 1aix n GLY 140 Ca -0.21 -0.97 0.08 0.00 0.00 0.00 0.00 46.02 44.93 1aix n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1aix n TRP 141 N -0.38 1.27 -1.19 1.61 8.01 -1.26 -1.88 117.44 123.62 1aix n TRP 141 Ca 0.00 -0.81 -0.30 0.00 -1.31 0.00 0.00 57.50 55.08 1aix n TRP 141 Cb 0.00 -0.36 0.24 0.00 -2.01 0.00 0.00 31.31 29.18 1aix n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1aix s GLY 142 N -1.54 1.61 0.57 6.99 0.00 -1.26 -4.58 107.32 109.12 1aix s GLY 142 Ca 0.45 -1.03 -0.20 0.00 0.00 0.00 0.00 44.72 43.95 1aix s GLY 142 CO 0.12 -0.14 1.10 0.70 0.00 0.00 0.00 173.10 174.88 1aix n ASN 143 N -4.67 1.42 0.10 1.64 3.02 0.04 -3.01 115.26 113.81 1aix n ASN 143 Ca 0.14 0.88 0.12 0.00 -0.03 0.00 0.00 54.58 55.69 1aix n ASN 143 Cb 0.60 -1.45 0.17 0.00 -0.61 0.00 0.00 39.78 38.48 1aix n ASN 143 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1aix h LEU 144 N 0.84 0.00 -7.40 3.41 3.38 -0.94 -0.10 115.31 114.51 1aix h LEU 144 Ca -0.49 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.34 1aix h LEU 144 Cb 1.34 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.96 1aix h LEU 144 CO 0.53 0.05 -0.08 -1.59 0.09 0.00 0.00 178.44 177.44 1aix s LYS 145 N -3.21 1.06 0.10 1.13 -2.85 -1.25 -4.21 119.74 110.51 1aix s LYS 145 Ca 0.05 -0.70 -0.32 0.00 -1.00 0.00 0.00 55.97 54.00 1aix s LYS 145 Cb 0.11 0.47 -0.12 0.00 -2.06 0.00 0.00 37.83 36.22 1aix s LYS 145 CO 0.71 -0.41 1.59 1.49 0.10 0.00 0.00 175.35 178.83 1aix h GLU 146 N 2.39 -0.72 0.04 1.78 4.81 -1.91 -3.47 114.58 117.49 1aix h GLU 146 Ca -0.34 0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 58.76 1aix h GLU 146 Cb 1.25 0.16 0.02 0.00 0.63 0.00 0.00 28.75 30.81 1aix h GLU 146 CO 0.47 -0.48 -0.73 1.15 -0.73 0.00 0.00 179.01 178.69 1aix h THR 147 N -0.75 1.43 -2.23 0.32 2.02 -1.98 -3.48 112.91 108.23 1aix h THR 147 Ca -0.01 -2.22 -0.28 0.00 0.77 0.00 0.00 66.41 64.67 1aix h THR 147 Cb 0.71 2.73 0.16 0.00 -1.74 0.00 0.00 68.15 70.01 1aix h THR 147 CO -0.15 0.65 -0.31 2.29 0.37 0.00 0.00 175.52 178.36 1aix n LYS 149 N -4.14 -2.80 0.00 6.66 0.00 -1.26 -5.10 118.16 111.51 1aix n LYS 149 Ca -0.11 -0.83 0.00 0.00 -0.00 0.00 0.00 58.31 57.37 1aix n LYS 149 Cb 0.74 -1.61 0.00 0.00 -0.00 0.00 0.00 35.03 34.17 1aix n LYS 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1aix n GLY 150 N 2.25 -1.39 3.80 2.58 0.00 -1.26 -3.60 105.19 107.57 1aix n GLY 150 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1aix n GLY 150 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1aix s GLN 151 N 0.00 3.10 0.77 1.61 2.00 -1.26 -0.65 119.66 125.23 1aix s GLN 151 Ca 0.00 -0.50 -0.12 0.00 -2.00 0.00 0.00 55.36 52.74 1aix s GLN 151 Cb 0.00 -2.87 0.05 0.00 0.80 0.00 0.00 33.01 30.99 1aix s GLN 151 CO 0.00 0.63 1.10 -1.25 -0.50 0.00 0.00 175.29 175.28 1aix s PRO 152 N -1.92 2.29 0.01 1.67 0.04 -1.26 -4.94 135.00 130.89 1aix s PRO 152 Ca 0.25 0.55 0.01 0.00 0.04 0.00 0.00 61.00 61.85 1aix s PRO 152 Cb -0.12 -1.95 -0.26 0.00 0.04 0.00 0.00 34.50 32.21 1aix s PRO 152 CO 0.17 -1.46 0.87 1.03 0.04 0.00 0.00 177.00 177.65 1aix h SER 153 N -0.96 0.28 -4.18 6.66 0.87 -1.97 -3.43 113.55 110.81 1aix h SER 153 Ca -0.46 -0.40 -0.33 0.00 -1.23 0.00 0.00 61.79 59.37 1aix h SER 153 Cb 1.27 -0.09 -0.14 0.00 -0.44 0.00 0.00 62.40 62.99 1aix h SER 153 CO 0.61 1.33 -0.66 0.68 -0.53 0.00 0.00 176.83 178.26 1aix s VAL 154 N -2.62 0.88 0.07 2.23 -7.23 -1.26 -0.72 120.40 111.74 1aix s VAL 154 Ca -0.07 -2.01 -0.37 0.00 -1.81 0.00 0.00 61.98 57.71 1aix s VAL 154 Cb 0.07 -2.20 -0.18 0.00 0.56 0.00 0.00 36.38 34.64 1aix s VAL 154 CO 0.84 -0.43 1.23 -0.11 -0.31 0.00 0.00 175.10 176.33 1aix n LEU 155 N -0.32 1.11 -4.84 1.32 7.94 0.34 -4.79 117.00 117.77 1aix n LEU 155 Ca -0.06 1.13 -0.28 0.00 -1.11 0.00 0.00 56.01 55.69 1aix n LEU 155 Cb 0.63 -1.11 -0.05 0.00 0.53 0.00 0.00 43.42 43.42 1aix n LEU 155 CO 0.35 -1.35 -0.20 -1.10 -1.11 0.00 0.00 177.39 173.98 1aix s GLN 156 N 0.24 3.08 0.02 1.96 -1.52 -0.79 0.19 119.66 122.84 1aix s GLN 156 Ca 0.85 -0.71 0.00 0.00 -1.95 0.00 0.00 55.36 53.55 1aix s GLN 156 Cb -1.03 -2.78 -0.02 0.00 -0.22 0.00 0.00 33.01 28.96 1aix s GLN 156 CO 0.50 0.53 -0.03 0.08 -0.25 0.00 0.00 175.29 176.12 1aix s VAL 157 N -1.62 0.15 -0.27 1.09 1.01 0.86 -2.18 120.40 119.44 1aix s VAL 157 Ca 0.32 -0.68 -0.22 0.00 0.00 0.00 0.00 61.98 61.39 1aix s VAL 157 Cb -0.11 -0.25 0.07 0.00 0.00 0.00 0.00 36.38 36.09 1aix s VAL 157 CO 0.25 -0.34 0.71 0.54 0.00 0.00 0.00 175.10 176.26 1aix s VAL 158 N -1.04 0.00 -0.22 2.92 0.11 -0.81 -0.33 120.40 121.02 1aix s VAL 158 Ca -0.11 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 58.84 1aix s VAL 158 Cb -0.07 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.73 1aix s VAL 158 CO -0.01 0.00 0.14 0.20 -3.33 0.00 0.00 175.10 172.11 1aix s ASN 159 N 0.79 6.15 0.00 3.54 0.01 -1.26 -0.79 114.94 123.38 1aix s ASN 159 Ca -0.03 0.17 0.03 0.00 -0.71 0.00 0.00 52.86 52.32 1aix s ASN 159 Cb -0.05 -2.09 -0.01 0.00 0.41 0.00 0.00 41.25 39.51 1aix s ASN 159 CO -0.06 0.13 -0.09 -0.76 -1.51 0.00 0.00 177.10 174.81 1aix s LEU 160 N 0.66 2.05 0.14 0.60 1.43 -0.37 -4.95 118.68 118.23 1aix s LEU 160 Ca 0.08 -0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 52.68 1aix s LEU 160 Cb -0.12 -0.44 -0.07 0.00 0.03 0.00 0.00 46.19 45.59 1aix s LEU 160 CO 0.01 0.08 0.93 -2.16 0.23 0.00 0.00 176.35 175.44 1aix s PRO 161 N -0.37 4.71 0.46 1.29 0.04 -1.26 -0.85 135.00 139.02 1aix s PRO 161 Ca 0.02 1.42 -0.25 0.00 0.04 0.00 0.00 61.00 62.24 1aix s PRO 161 Cb -0.04 -3.35 -0.08 0.00 0.04 0.00 0.00 34.50 31.07 1aix s PRO 161 CO -0.00 0.30 1.34 -0.89 0.04 0.00 0.00 177.00 177.78 1aix n ILE 162 N 2.46 2.88 -4.50 0.56 5.41 -0.17 -1.23 119.36 124.77 1aix n ILE 162 Ca 0.01 -0.50 -0.31 0.00 1.00 0.00 0.00 62.75 62.95 1aix n ILE 162 Cb 0.49 -1.67 -0.11 0.00 -0.71 0.00 0.00 39.64 37.63 1aix n ILE 162 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1aix s VAL 163 N -1.22 3.22 0.29 1.39 1.01 -0.74 -1.29 120.40 123.06 1aix s VAL 163 Ca 0.63 -1.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.28 1aix s VAL 163 Cb -0.47 -2.40 -0.14 0.00 0.00 0.00 0.00 36.38 33.37 1aix s VAL 163 CO 0.56 0.32 1.10 -0.62 0.00 0.00 0.00 175.10 176.46 1aix n GLU 164 N 1.40 1.55 0.04 2.72 4.71 -1.26 -4.60 120.64 125.19 1aix n GLU 164 Ca -0.15 0.54 0.01 0.00 -0.01 0.00 0.00 57.16 57.55 1aix n GLU 164 Cb 0.52 -1.98 0.35 0.00 -1.01 0.00 0.00 31.44 29.32 1aix n GLU 164 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 1aix h ARG 165 N 2.32 0.44 -0.43 3.49 2.43 -1.98 -1.03 114.38 119.62 1aix h ARG 165 Ca -0.41 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 58.54 1aix h ARG 165 Cb 1.32 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1aix h ARG 165 CO 0.62 0.46 -0.26 -1.35 -1.51 0.00 0.00 179.97 177.93 1aix h PRO 166 N 0.43 0.91 -0.34 0.20 0.11 -2.00 -1.75 132.00 129.57 1aix h PRO 166 Ca 0.10 -0.40 -0.09 0.00 0.11 0.00 0.00 66.00 65.71 1aix h PRO 166 Cb 0.26 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.33 1aix h PRO 166 CO 0.01 1.06 -0.17 0.28 -0.21 0.00 0.00 178.00 178.97 1aix h VAL 167 N 0.78 1.26 -0.31 3.15 2.07 -1.70 -1.51 116.25 119.98 1aix h VAL 167 Ca 0.09 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 1aix h VAL 167 Cb 0.82 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1aix h VAL 167 CO 0.07 0.39 0.17 0.00 0.02 0.00 0.00 177.57 178.23 1aix h LYS 169 N 0.39 0.01 0.00 0.00 6.56 -0.99 -2.60 116.57 119.94 1aix h LYS 169 Ca 0.11 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 1aix h LYS 169 Cb 0.05 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.71 1aix h LYS 169 CO -0.02 0.00 0.00 -0.25 -2.06 0.00 0.00 179.45 177.13 1aix n ASP 170 N -5.19 0.00 -0.35 0.86 8.00 -0.60 -2.79 116.55 116.49 1aix n ASP 170 Ca -0.02 -0.29 0.12 0.00 0.71 0.00 0.00 54.79 55.30 1aix n ASP 170 Cb 0.12 -0.18 0.18 0.00 -0.02 0.00 0.00 41.12 41.22 1aix n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1aix n SER 171 N -1.18 1.47 -3.83 -2.24 3.41 -0.98 -4.98 113.62 105.29 1aix n SER 171 Ca 0.13 -1.17 -0.10 0.00 -0.26 0.00 0.00 58.87 57.48 1aix n SER 171 Cb 0.14 0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 64.37 1aix n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1aix s THR 172 N -2.52 0.06 -0.65 6.66 -1.32 -1.12 -4.82 115.64 111.93 1aix s THR 172 Ca 0.21 -1.06 0.23 0.00 -1.21 0.00 0.00 61.69 59.86 1aix s THR 172 Cb 0.19 -1.61 -0.13 0.00 -1.51 0.00 0.00 72.50 69.43 1aix s THR 172 CO 0.56 -0.28 1.00 0.54 -2.21 0.00 0.00 174.62 174.23 1aix n ARG 173 N -0.24 0.25 -2.30 7.08 1.74 -1.26 -4.93 116.66 117.00 1aix n ARG 173 Ca -0.10 -0.01 -0.38 0.00 -0.77 0.00 0.00 57.85 56.58 1aix n ARG 173 Cb 0.63 -1.57 -0.02 0.00 -1.02 0.00 0.00 32.46 30.48 1aix n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1aix s ILE 174 N -3.18 3.16 -0.30 0.55 -1.09 -1.26 -4.96 121.20 114.11 1aix s ILE 174 Ca 0.04 0.98 -0.29 0.00 -2.23 0.00 0.00 60.65 59.15 1aix s ILE 174 Cb 0.15 -3.55 0.01 0.00 -1.58 0.00 0.00 42.46 37.49 1aix s ILE 174 CO 0.81 0.10 1.14 -0.60 -1.23 0.00 0.00 174.94 175.16 1aix s ARG 175 N -2.26 4.05 0.22 2.79 3.52 -1.26 -5.02 118.95 120.99 1aix s ARG 175 Ca 0.56 1.17 -0.27 0.00 -0.13 0.00 0.00 55.73 57.07 1aix s ARG 175 Cb -0.31 -3.77 -0.09 0.00 -1.56 0.00 0.00 34.95 29.23 1aix s ARG 175 CO 0.39 -0.93 0.87 0.42 -0.81 0.00 0.00 175.30 175.24 1aix s ILE 176 N 3.80 4.23 0.47 4.11 -1.09 -1.26 -4.88 121.20 126.57 1aix s ILE 176 Ca 0.49 1.86 0.03 0.00 -2.23 0.00 0.00 60.65 60.80 1aix s ILE 176 Cb -0.14 -4.19 -0.03 0.00 -1.58 0.00 0.00 42.46 36.52 1aix s ILE 176 CO 0.17 0.45 0.03 0.42 -1.23 0.00 0.00 174.94 174.78 1aix s THR 177 N -1.24 1.17 -0.71 2.92 -4.23 -1.26 -5.01 115.64 107.27 1aix s THR 177 Ca 0.40 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.13 1aix s THR 177 Cb -0.23 -2.34 0.21 0.00 1.34 0.00 0.00 72.50 71.48 1aix s THR 177 CO 0.28 0.00 1.66 0.47 -0.54 0.00 0.00 174.62 176.49 1aix n ASP 178 N -1.21 0.43 -0.55 3.99 9.92 -1.26 -2.34 116.55 125.54 1aix n ASP 178 Ca -0.14 0.59 0.04 0.00 -0.53 0.00 0.00 54.79 54.75 1aix n ASP 178 Cb 0.67 -0.69 0.12 0.00 -0.64 0.00 0.00 41.12 40.58 1aix n ASP 178 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1aix n ASN 179 N -1.96 1.57 -4.25 -2.24 3.02 -1.26 -4.85 115.26 105.30 1aix n ASN 179 Ca 0.03 -2.03 -0.15 0.00 -0.03 0.00 0.00 54.58 52.39 1aix n ASN 179 Cb 0.25 -0.22 -0.10 0.00 -0.61 0.00 0.00 39.78 39.09 1aix n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1aix s MET 180 N -1.64 1.05 0.15 3.52 -1.94 -0.99 -0.11 119.30 119.34 1aix s MET 180 Ca 0.18 -1.38 -0.08 0.00 -1.71 0.00 0.00 55.69 52.70 1aix s MET 180 Cb 0.10 -0.72 -0.01 0.00 2.01 0.00 0.00 34.83 36.21 1aix s MET 180 CO 0.12 0.11 0.25 -0.59 -0.01 0.00 0.00 175.02 174.89 1aix s PHE 181 N -2.92 0.40 0.20 -0.03 -0.71 -0.40 -4.79 117.98 109.74 1aix s PHE 181 Ca 0.14 -0.78 0.08 0.00 -1.04 0.00 0.00 56.93 55.33 1aix s PHE 181 Cb -0.00 -0.10 -0.05 0.00 -1.21 0.00 0.00 43.02 41.67 1aix s PHE 181 CO 0.02 -0.68 -0.15 0.00 -1.34 0.00 0.00 175.22 173.07 1aix s ALA 183 N -2.82 -0.47 0.00 0.00 0.00 -0.37 -1.79 121.76 116.30 1aix s ALA 183 Ca 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1aix s ALA 183 Cb -0.02 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.42 1aix s ALA 183 CO 0.07 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.85 1aix n GLY 184 N 0.59 4.16 3.87 0.00 0.00 -0.36 -2.27 105.19 111.18 1aix n GLY 184 Ca -0.18 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 1aix n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aix s TYR 184 N -2.00 3.49 0.74 1.61 2.02 -1.26 -4.47 117.35 117.48 1aix s TYR 184 Ca 0.00 1.10 -0.12 0.00 -0.37 0.00 0.00 57.07 57.69 1aix s TYR 184 Cb 0.00 -2.50 0.04 0.00 -0.40 0.00 0.00 41.96 39.10 1aix s TYR 184 CO 0.00 -0.20 1.11 0.15 -1.57 0.00 0.00 175.55 175.05 1aix s LYS 185 N -4.04 2.53 0.27 -0.62 1.02 -1.26 -4.81 119.74 112.82 1aix s LYS 185 Ca 0.52 0.42 -0.04 0.00 0.02 0.00 0.00 55.97 56.89 1aix s LYS 185 Cb -0.10 -1.99 0.34 0.00 -0.52 0.00 0.00 37.83 35.56 1aix s LYS 185 CO 0.34 -1.26 1.94 -1.35 -0.92 0.00 0.00 175.35 174.10 1aix h PRO 186 N -0.82 1.23 0.00 -1.68 0.11 -1.96 -0.27 132.00 128.61 1aix h PRO 186 Ca -0.46 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1aix h PRO 186 Cb 1.27 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1aix h PRO 186 CO 0.63 0.81 0.00 -0.40 -0.21 0.00 0.00 178.00 178.84 1aix n ASP 186 N -4.40 0.32 -0.06 -2.05 5.68 -1.26 -2.77 116.55 112.02 1aix n ASP 186 Ca 0.11 0.57 0.13 0.00 -0.50 0.00 0.00 54.79 55.10 1aix n ASP 186 Cb 0.03 -0.64 0.44 0.00 -1.14 0.00 0.00 41.12 39.81 1aix n ASP 186 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1aix n GLU 186 N -1.84 0.28 0.00 0.11 1.02 -0.11 -4.95 120.64 115.14 1aix n GLU 186 Ca 0.04 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1aix n GLU 186 Cb 0.24 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1aix n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1aix n GLY 186 N 1.42 0.59 3.80 0.62 0.00 -1.11 -4.94 105.19 105.57 1aix n GLY 186 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1aix n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aix s LYS 186 N 0.00 3.53 0.48 1.61 1.02 -1.26 -5.05 119.74 120.07 1aix s LYS 186 Ca 0.00 1.24 0.02 0.00 0.02 0.00 0.00 55.97 57.25 1aix s LYS 186 Cb 0.00 -2.06 -0.01 0.00 -0.52 0.00 0.00 37.83 35.24 1aix s LYS 186 CO 0.00 -0.64 0.07 1.03 -0.92 0.00 0.00 175.35 174.89 1aix s ARG 187 N -3.77 2.13 0.00 1.68 0.52 -1.26 -4.64 118.95 113.60 1aix s ARG 187 Ca 0.65 -2.36 0.00 0.00 -0.52 0.00 0.00 55.73 53.50 1aix s ARG 187 Cb -0.16 -1.06 0.00 0.00 0.52 0.00 0.00 34.95 34.25 1aix s ARG 187 CO 0.30 -0.48 0.00 0.41 0.02 0.00 0.00 175.30 175.56 1aix n GLY 188 N -1.16 4.72 3.59 -3.53 0.00 -1.26 -4.89 105.19 102.67 1aix n GLY 188 Ca -0.15 -1.09 -0.04 0.00 0.00 0.00 0.00 46.02 44.74 1aix n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1aix s ASP 189 N 0.00 -0.15 0.64 1.61 2.15 -1.11 -4.65 116.67 115.15 1aix s ASP 189 Ca 0.00 -0.03 -0.11 0.00 0.43 0.00 0.00 52.55 52.84 1aix s ASP 189 Cb 0.00 0.19 -0.03 0.00 -0.30 0.00 0.00 42.92 42.78 1aix s ASP 189 CO 0.00 -0.31 1.04 0.00 -0.17 0.00 0.00 175.17 175.73 1aix s ALA 190 N -2.53 3.04 0.26 3.66 0.00 -1.26 -0.61 121.76 124.33 1aix s ALA 190 Ca 0.10 -0.11 -0.09 0.00 0.00 0.00 0.00 51.96 51.85 1aix s ALA 190 Cb -0.00 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 20.03 1aix s ALA 190 CO -0.05 -0.79 0.44 0.00 0.00 0.00 0.00 175.76 175.36 1aix n GLU 192 N -0.41 0.00 0.00 0.00 4.07 -1.26 -0.37 120.64 122.67 1aix n GLU 192 Ca -0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.09 1aix n GLU 192 Cb 0.62 -1.45 0.00 0.00 -0.06 0.00 0.00 31.44 30.56 1aix n GLU 192 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1aix n GLY 193 N 5.96 1.65 0.14 8.31 0.00 -1.26 -0.78 105.19 119.21 1aix n GLY 193 Ca 0.44 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.54 1aix n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1aix h ASP 194 N 0.00 0.00 -1.79 1.61 3.32 -1.05 -3.30 116.42 115.21 1aix h ASP 194 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 1aix h ASP 194 Cb 0.00 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.68 1aix h ASP 194 CO 0.00 0.18 -0.40 -1.20 -1.72 0.00 0.00 179.24 176.10 1aix n SER 195 N -2.88 -0.77 0.00 6.45 7.64 -1.26 -1.70 113.62 121.09 1aix n SER 195 Ca -0.01 1.04 0.00 0.00 1.01 0.00 0.00 58.87 60.91 1aix n SER 195 Cb 0.63 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 1aix n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1aix n GLY 196 N 1.81 2.70 3.79 0.23 0.00 -0.20 0.58 105.19 114.08 1aix n GLY 196 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1aix n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aix s GLY 197 N -1.85 1.69 0.04 -0.02 0.00 -0.69 -3.15 107.32 103.34 1aix s GLY 197 Ca 0.00 -1.07 -0.10 0.00 0.00 0.00 0.00 44.72 43.56 1aix s GLY 197 CO 0.00 -0.26 0.35 2.56 0.00 0.00 0.00 173.10 175.75 1aix s PRO 198 N -5.67 3.72 -0.36 2.90 0.04 -1.26 -0.78 135.00 133.59 1aix s PRO 198 Ca 0.72 0.13 -0.06 0.00 0.04 0.00 0.00 61.00 61.83 1aix s PRO 198 Cb -0.07 -3.06 0.06 0.00 0.04 0.00 0.00 34.50 31.47 1aix s PRO 198 CO 0.54 0.61 0.14 0.12 0.04 0.00 0.00 177.00 178.45 1aix s PHE 199 N -1.31 3.33 0.28 0.56 2.19 0.58 -3.67 117.98 119.93 1aix s PHE 199 Ca 0.29 -1.68 0.09 0.00 0.33 0.00 0.00 56.93 55.96 1aix s PHE 199 Cb -0.14 -2.55 -0.04 0.00 -1.31 0.00 0.00 43.02 38.97 1aix s PHE 199 CO 0.16 -0.81 0.07 0.14 1.83 0.00 0.00 175.22 176.61 1aix s VAL 200 N 1.34 3.62 -0.00 3.12 -7.23 0.42 -1.27 120.40 120.39 1aix s VAL 200 Ca 0.00 -1.75 -0.01 0.00 -1.81 0.00 0.00 61.98 58.41 1aix s VAL 200 Cb -0.21 -3.00 -0.00 0.00 0.56 0.00 0.00 36.38 33.73 1aix s VAL 200 CO 0.01 -0.34 0.02 -0.04 -0.31 0.00 0.00 175.10 174.44 1aix s MET 201 N -3.74 0.16 -0.40 4.82 -1.94 0.01 0.94 119.30 119.14 1aix s MET 201 Ca 0.33 -0.19 -0.15 0.00 -1.71 0.00 0.00 55.69 53.97 1aix s MET 201 Cb -0.06 0.06 0.01 0.00 2.01 0.00 0.00 34.83 36.85 1aix s MET 201 CO 0.22 -0.03 0.30 0.21 -0.01 0.00 0.00 175.02 175.71 1aix s LYS 202 N -0.54 3.06 0.13 2.03 2.20 -1.26 -0.47 119.74 124.89 1aix s LYS 202 Ca -0.06 -0.95 -0.32 0.00 -0.36 0.00 0.00 55.97 54.28 1aix s LYS 202 Cb -0.04 -3.95 -0.12 0.00 -1.51 0.00 0.00 37.83 32.21 1aix s LYS 202 CO -0.00 -0.71 1.76 0.45 -0.36 0.00 0.00 175.35 176.49 1aix n SER 203 N 5.17 3.77 0.00 1.43 2.88 -0.13 -4.87 113.62 121.88 1aix n SER 203 Ca -0.11 1.02 0.12 0.00 -1.33 0.00 0.00 58.87 58.57 1aix n SER 203 Cb 0.47 -1.51 0.55 0.00 -0.75 0.00 0.00 64.21 62.97 1aix n SER 203 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1aix n PRO 204 N 4.86 0.11 -0.08 -1.46 -0.04 -1.26 -1.18 135.00 135.95 1aix n PRO 204 Ca 0.18 0.08 -0.18 0.00 -0.04 0.00 0.00 63.50 63.54 1aix n PRO 204 Cb 0.34 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.18 1aix n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1aix h PHE 204 N 0.00 0.02 -0.01 0.54 0.04 -1.97 -3.41 116.94 112.15 1aix h PHE 204 Ca 0.00 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1aix h PHE 204 Cb 0.36 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.50 1aix h PHE 204 CO 0.00 1.22 0.00 0.27 -0.60 0.00 0.00 178.31 179.20 1aix n ASN 204 N -4.51 1.57 -3.05 2.17 2.04 -1.25 -5.01 115.26 107.22 1aix n ASN 204 Ca -0.20 -1.53 -0.23 0.00 -0.44 0.00 0.00 54.58 52.19 1aix n ASN 204 Cb 0.58 -0.01 0.03 0.00 -2.53 0.00 0.00 39.78 37.85 1aix n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1aix n ASN 205 N -0.21 -5.87 -4.61 0.53 3.02 -0.33 -5.00 115.26 102.80 1aix n ASN 205 Ca 0.01 -0.30 -0.28 0.00 -0.03 0.00 0.00 54.58 53.98 1aix n ASN 205 Cb 0.14 -4.75 -0.09 0.00 -0.61 0.00 0.00 39.78 34.47 1aix n ASN 205 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1aix s ARG 206 N -5.74 2.22 -0.11 3.52 0.52 -1.25 -4.88 118.95 113.23 1aix s ARG 206 Ca 0.31 -1.07 -0.20 0.00 -0.52 0.00 0.00 55.73 54.25 1aix s ARG 206 Cb -0.14 -2.31 -0.04 0.00 0.52 0.00 0.00 34.95 32.98 1aix s ARG 206 CO 0.39 0.48 0.56 -1.58 0.02 0.00 0.00 175.30 175.17 1aix s TRP 207 N -1.44 3.51 -0.04 -0.53 0.52 -1.26 -0.95 118.94 118.74 1aix s TRP 207 Ca 0.24 0.99 0.07 0.00 0.02 0.00 0.00 56.10 57.42 1aix s TRP 207 Cb -0.10 -2.65 -0.02 0.00 -1.15 0.00 0.00 33.47 29.55 1aix s TRP 207 CO 0.16 0.10 -0.24 0.71 0.02 0.00 0.00 176.95 177.69 1aix s TYR 208 N 0.85 2.41 -0.59 -1.98 2.02 0.38 -1.91 117.35 118.53 1aix s TYR 208 Ca 0.29 -0.52 -0.22 0.00 -0.37 0.00 0.00 57.07 56.26 1aix s TYR 208 Cb -0.16 -1.55 0.06 0.00 -0.40 0.00 0.00 41.96 39.91 1aix s TYR 208 CO 0.12 -0.08 0.85 -1.14 -1.57 0.00 0.00 175.55 173.73 1aix s GLN 209 N -0.45 3.17 0.05 -0.62 0.74 -0.07 -0.81 119.66 121.67 1aix s GLN 209 Ca 0.05 -0.75 0.12 0.00 0.05 0.00 0.00 55.36 54.83 1aix s GLN 209 Cb -0.11 -4.16 -0.17 0.00 1.10 0.00 0.00 33.01 29.67 1aix s GLN 209 CO 0.01 -1.56 0.93 0.52 -0.55 0.00 0.00 175.29 174.64 1aix h MET 210 N 9.32 0.00 -4.44 1.67 2.86 -1.51 -3.40 114.93 119.43 1aix h MET 210 Ca -0.28 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.17 1aix h MET 210 Cb 1.08 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.59 1aix h MET 210 CO 1.10 0.57 -0.65 0.20 1.06 0.00 0.00 176.91 179.19 1aix s GLY 211 N -4.87 0.99 -0.09 8.32 0.00 -0.63 -1.72 107.32 109.31 1aix s GLY 211 Ca -0.02 -1.47 0.02 0.00 0.00 0.00 0.00 44.72 43.25 1aix s GLY 211 CO 0.81 -1.37 -0.13 -0.42 0.00 0.00 0.00 173.10 171.99 1aix s ILE 212 N -4.02 1.27 -0.18 0.90 1.01 -1.01 -0.31 121.20 118.86 1aix s ILE 212 Ca 0.23 -0.52 -0.34 0.00 0.00 0.00 0.00 60.65 60.02 1aix s ILE 212 Cb 0.07 -1.18 -0.11 0.00 0.01 0.00 0.00 42.46 41.26 1aix s ILE 212 CO 0.01 0.39 1.97 0.52 0.00 0.00 0.00 174.94 177.84 1aix n VAL 213 N 4.12 0.44 -0.00 2.92 0.31 0.04 -1.17 118.33 124.99 1aix n VAL 213 Ca -0.20 -0.17 -0.00 0.00 -0.01 0.00 0.00 64.34 63.96 1aix n VAL 213 Cb 0.51 -1.83 -0.00 0.00 -0.91 0.00 0.00 33.84 31.61 1aix n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1aix n SER 214 N 7.76 0.13 -3.83 4.52 2.88 -0.78 -1.04 113.62 123.25 1aix n SER 214 Ca 0.28 0.02 -0.09 0.00 -1.33 0.00 0.00 58.87 57.74 1aix n SER 214 Cb 0.28 -0.22 -0.05 0.00 -0.75 0.00 0.00 64.21 63.47 1aix n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1aix s TRP 215 N -1.12 0.08 -0.02 0.66 1.48 -0.98 -4.90 118.94 114.13 1aix s TRP 215 Ca -0.01 -0.43 -0.29 0.00 -1.06 0.00 0.00 56.10 54.30 1aix s TRP 215 Cb 0.00 0.26 0.11 0.00 -1.16 0.00 0.00 33.47 32.67 1aix s TRP 215 CO 0.01 -0.88 0.92 0.20 -4.06 0.00 0.00 176.95 173.14 1aix s GLY 216 N -2.92 -0.45 -0.61 3.67 0.00 -1.26 0.31 107.32 106.05 1aix s GLY 216 Ca 0.13 1.06 -0.15 0.00 0.00 0.00 0.00 44.72 45.76 1aix s GLY 216 CO -0.00 0.35 0.56 -0.54 0.00 0.00 0.00 173.10 173.47 1aix s GLU 217 N -3.06 3.11 1.87 2.90 2.02 -1.26 -4.92 118.70 119.35 1aix s GLU 217 Ca 0.05 -1.93 0.00 0.00 0.02 0.00 0.00 54.97 53.11 1aix s GLU 217 Cb -0.01 -4.30 0.00 0.00 0.10 0.00 0.00 34.13 29.92 1aix s GLU 217 CO -0.09 -1.31 0.00 0.41 0.02 0.00 0.00 175.26 174.30 1aix n GLY 219 N 4.84 -1.47 2.78 -1.39 0.00 -1.26 -4.72 105.19 103.98 1aix n GLY 219 Ca -0.06 -1.30 -0.19 0.00 0.00 0.00 0.00 46.02 44.47 1aix n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aix n ASP 221 N 4.60 -5.46 -4.76 0.00 2.03 -1.26 -4.62 116.55 107.08 1aix n ASP 221 Ca -0.17 -0.24 -0.40 0.00 0.52 0.00 0.00 54.79 54.50 1aix n ASP 221 Cb 0.50 -4.46 -0.06 0.00 -0.72 0.00 0.00 41.12 36.39 1aix n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1aix s ARG 221 N -5.65 4.71 0.23 -0.67 1.81 -1.26 -4.92 118.95 113.20 1aix s ARG 221 Ca 0.27 1.32 -0.31 0.00 -1.72 0.00 0.00 55.73 55.29 1aix s ARG 221 Cb -0.13 -3.26 -0.12 0.00 -0.45 0.00 0.00 34.95 31.00 1aix s ARG 221 CO 0.33 0.54 1.67 -0.51 -0.68 0.00 0.00 175.30 176.65 1aix s ASP 222 N -1.18 6.40 0.00 0.23 1.11 -1.26 -2.00 116.67 119.97 1aix s ASP 222 Ca 0.39 2.86 0.00 0.00 0.18 0.00 0.00 52.55 55.98 1aix s ASP 222 Cb -0.24 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.14 1aix s ASP 222 CO 0.29 -0.94 0.00 0.61 1.18 0.00 0.00 175.17 176.31 1aix n GLY 223 N 3.40 0.86 3.63 0.21 0.00 -1.26 -5.02 105.19 107.00 1aix n GLY 223 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1aix n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aix s LYS 224 N -0.22 2.23 0.04 1.61 -0.14 -0.85 -4.75 119.74 117.66 1aix s LYS 224 Ca 0.00 -1.46 -0.01 0.00 -1.36 0.00 0.00 55.97 53.14 1aix s LYS 224 Cb 0.00 -2.12 -0.03 0.00 -1.68 0.00 0.00 37.83 34.00 1aix s LYS 224 CO 0.00 0.36 -0.02 0.71 -0.76 0.00 0.00 175.35 175.64 1aix s TYR 225 N -2.35 0.44 0.17 3.18 2.02 -1.26 -4.76 117.35 114.79 1aix s TYR 225 Ca 0.31 -0.92 -0.25 0.00 -0.37 0.00 0.00 57.07 55.84 1aix s TYR 225 Cb -0.06 -0.33 -0.08 0.00 -0.40 0.00 0.00 41.96 41.09 1aix s TYR 225 CO 0.19 -0.35 0.77 0.20 -1.57 0.00 0.00 175.55 174.80 1aix s GLY 226 N -2.60 2.89 -0.08 0.71 0.00 -0.96 -4.51 107.32 102.77 1aix s GLY 226 Ca 0.02 0.34 -0.00 0.00 0.00 0.00 0.00 44.72 45.08 1aix s GLY 226 CO -0.08 0.84 -0.05 -1.36 0.00 0.00 0.00 173.10 172.45 1aix s PHE 227 N -1.18 2.99 0.02 1.90 0.40 0.15 -1.23 117.98 121.02 1aix s PHE 227 Ca 0.36 0.03 0.05 0.00 -0.60 0.00 0.00 56.93 56.78 1aix s PHE 227 Cb -0.23 -1.75 -0.02 0.00 0.51 0.00 0.00 43.02 41.54 1aix s PHE 227 CO 0.26 0.33 -0.16 0.71 0.70 0.00 0.00 175.22 177.06 1aix s TYR 228 N -0.74 1.38 0.15 0.36 1.51 0.79 -1.87 117.35 118.94 1aix s TYR 228 Ca 0.11 -0.32 -0.31 0.00 -1.01 0.00 0.00 57.07 55.54 1aix s TYR 228 Cb -0.11 -0.85 -0.09 0.00 -0.11 0.00 0.00 41.96 40.80 1aix s TYR 228 CO 0.02 0.02 1.47 0.99 -1.11 0.00 0.00 175.55 176.94 1aix s THR 229 N -0.64 2.96 -0.81 -0.71 2.01 -0.32 -1.28 115.64 116.85 1aix s THR 229 Ca 0.04 0.70 -0.26 0.00 0.31 0.00 0.00 61.69 62.48 1aix s THR 229 Cb -0.07 -3.45 0.04 0.00 0.01 0.00 0.00 72.50 69.03 1aix s THR 229 CO 0.01 0.06 1.32 -2.28 -0.69 0.00 0.00 174.62 173.03 1aix s HIS 230 N 1.01 2.35 0.19 4.92 2.46 0.84 -2.41 115.29 124.65 1aix s HIS 230 Ca 0.66 -0.26 -0.11 0.00 0.47 0.00 0.00 55.06 55.82 1aix s HIS 230 Cb -0.40 -4.64 0.12 0.00 -0.13 0.00 0.00 32.58 27.53 1aix s HIS 230 CO 0.32 -2.04 1.82 0.28 -2.47 0.00 0.00 174.74 172.66 1aix h VAL 231 N 6.22 1.20 -0.95 0.89 2.07 -1.64 -2.57 116.25 121.47 1aix h VAL 231 Ca -0.16 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 66.91 1aix h VAL 231 Cb 1.04 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 1aix h VAL 231 CO 1.31 0.21 0.62 0.15 0.02 0.00 0.00 177.57 179.88 1aix h PHE 232 N 0.92 1.21 0.00 1.57 3.57 -1.86 -1.79 116.94 120.55 1aix h PHE 232 Ca 0.24 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1aix h PHE 232 Cb -0.01 -0.41 0.00 0.00 2.79 0.00 0.00 35.95 38.33 1aix h PHE 232 CO -0.01 0.77 0.00 0.00 -2.23 0.00 0.00 178.31 176.84 1aix h ARG 233 N 1.29 0.00 -0.22 1.11 3.08 -1.83 -2.46 114.38 115.36 1aix h ARG 233 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 1aix h ARG 233 Cb -0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.92 1aix h ARG 233 CO -0.07 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.11 1aix n LEU 234 N -2.94 3.06 0.01 3.04 4.77 -0.72 -4.65 117.00 119.57 1aix n LEU 234 Ca -0.01 -2.52 -0.02 0.00 -0.03 0.00 0.00 56.01 53.43 1aix n LEU 234 Cb 0.16 -0.34 0.25 0.00 -2.33 0.00 0.00 43.42 41.16 1aix n LEU 234 CO 0.22 0.67 0.82 0.50 -1.33 0.00 0.00 177.39 178.27 1aix h LYS 235 N 1.37 0.49 -0.94 3.23 3.64 -0.96 -2.26 116.57 121.14 1aix h LYS 235 Ca 0.00 -0.15 0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1aix h LYS 235 Cb 0.99 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.71 1aix h LYS 235 CO 0.08 0.63 0.61 0.87 -2.27 0.00 0.00 179.45 179.37 1aix h LYS 236 N 0.45 1.13 -0.39 1.90 1.57 -1.82 0.17 116.57 119.58 1aix h LYS 236 Ca 0.08 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 1aix h LYS 236 Cb 0.52 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1aix h LYS 236 CO 0.03 0.75 -0.10 2.35 -0.57 0.00 0.00 179.45 181.91 1aix h TRP 237 N 1.17 0.85 -0.11 -1.35 7.01 -1.80 -1.21 115.95 120.50 1aix h TRP 237 Ca 0.38 -0.18 0.03 0.00 2.11 0.00 0.00 58.89 61.22 1aix h TRP 237 Cb 0.03 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 26.86 1aix h TRP 237 CO -0.01 0.89 -0.05 0.82 -2.79 0.00 0.00 178.44 177.30 1aix h ILE 238 N 0.56 0.82 -0.70 2.65 2.04 -0.73 -1.36 117.51 120.79 1aix h ILE 238 Ca 0.10 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.93 1aix h ILE 238 Cb 0.62 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1aix h ILE 238 CO 0.04 0.00 0.33 1.56 0.00 0.00 0.00 178.15 180.08 1aix h GLN 239 N -0.05 1.00 -0.43 2.37 1.08 -0.65 -1.78 115.11 116.65 1aix h GLN 239 Ca 0.06 -0.15 -0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1aix h GLN 239 Cb 0.14 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 1aix h GLN 239 CO -0.14 0.79 0.26 -0.22 -0.95 0.00 0.00 178.83 178.58 1aix h LYS 240 N 0.97 0.59 -0.29 1.46 3.64 -0.89 0.30 116.57 122.35 1aix h LYS 240 Ca 0.24 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1aix h LYS 240 Cb 0.12 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1aix h LYS 240 CO -0.03 0.43 0.09 0.28 -2.27 0.00 0.00 179.45 177.95 1aix h VAL 241 N 0.57 1.20 -0.33 2.00 2.07 -1.00 -1.34 116.25 119.43 1aix h VAL 241 Ca 0.16 -0.65 -0.13 0.00 0.82 0.00 0.00 66.70 66.90 1aix h VAL 241 Cb -0.01 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1aix h VAL 241 CO -0.03 0.22 -0.30 0.40 0.02 0.00 0.00 177.57 177.88 1aix h ILE 242 N 0.32 1.29 0.15 4.57 2.04 -1.14 0.89 117.51 125.63 1aix h ILE 242 Ca 0.09 -1.46 -0.01 0.00 1.00 0.00 0.00 64.86 64.49 1aix h ILE 242 Cb 0.24 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1aix h ILE 242 CO -0.00 0.48 -0.07 0.44 0.00 0.00 0.00 178.15 178.99 1aix h ASP 243 N 0.55 -0.17 -0.27 1.72 3.32 -0.33 -3.10 116.42 118.13 1aix h ASP 243 Ca 0.06 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.97 1aix h ASP 243 Cb 0.87 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 1aix h ASP 243 CO 0.08 -0.12 -0.32 -0.61 -1.72 0.00 0.00 179.24 176.55 1aix h GLN 244 N -0.20 0.79 -0.02 3.56 4.15 -1.23 -3.51 115.11 118.65 1aix h GLN 244 Ca -0.02 -0.37 0.00 0.00 0.77 0.00 0.00 58.65 59.03 1aix h GLN 244 Cb 0.16 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.84 1aix h GLN 244 CO 0.03 1.00 0.00 1.19 -1.93 0.00 0.00 178.83 179.12