#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqd s ALA 3 N 0.00 2.89 -0.10 -1.39 0.00 -1.26 -4.88 121.76 117.01 1iqd s ALA 3 Ca 0.00 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 50.93 1iqd s ALA 3 Cb 0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 1iqd s ALA 3 CO 0.00 0.59 -0.12 -0.51 0.00 0.00 0.00 175.76 175.72 1iqd s LEU 4 N -1.28 2.81 -0.15 0.00 1.43 -1.26 -1.17 118.68 119.06 1iqd s LEU 4 Ca 0.15 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 1iqd s LEU 4 Cb -0.11 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.50 1iqd s LEU 4 CO 0.06 0.24 -0.20 -0.89 0.23 0.00 0.00 176.35 175.78 1iqd s THR 5 N -0.08 2.21 0.08 5.49 2.01 0.15 -4.22 115.64 121.28 1iqd s THR 5 Ca -0.02 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 61.08 1iqd s THR 5 Cb -0.14 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 1iqd s THR 5 CO 0.04 0.54 0.16 -1.10 -0.69 0.00 0.00 174.62 173.56 1iqd s GLN 6 N 0.89 3.18 -0.10 4.92 -0.21 -1.26 -0.20 119.66 126.88 1iqd s GLN 6 Ca -0.05 -0.58 -0.12 0.00 0.02 0.00 0.00 55.36 54.63 1iqd s GLN 6 Cb -0.15 -2.88 0.03 0.00 1.00 0.00 0.00 33.01 31.01 1iqd s GLN 6 CO -0.03 0.58 0.32 -1.54 -2.12 0.00 0.00 175.29 172.49 1iqd s SER 7 N -2.56 -0.31 0.74 5.90 1.04 -0.99 -4.62 113.70 112.91 1iqd s SER 7 Ca 0.32 0.54 -0.06 0.00 0.48 0.00 0.00 55.95 57.24 1iqd s SER 7 Cb -0.12 0.60 0.11 0.00 0.10 0.00 0.00 66.02 66.70 1iqd s SER 7 CO 0.25 -0.17 1.04 -2.16 0.98 0.00 0.00 173.24 173.18 1iqd s PRO 8 N -0.10 1.75 0.14 4.02 0.04 -1.26 -2.01 135.00 137.57 1iqd s PRO 8 Ca -0.02 -0.64 -0.15 0.00 0.04 0.00 0.00 61.00 60.22 1iqd s PRO 8 Cb -0.03 -2.20 0.01 0.00 0.04 0.00 0.00 34.50 32.32 1iqd s PRO 8 CO 0.01 -1.49 1.66 0.78 0.04 0.00 0.00 177.00 178.01 1iqd h GLY 9 N -0.71 0.72 -6.85 0.56 0.00 -1.86 -3.41 103.07 91.53 1iqd h GLY 9 Ca -0.41 -0.42 -0.38 0.00 0.00 0.00 0.00 47.33 46.11 1iqd h GLY 9 CO 0.48 0.40 -0.75 -1.59 0.00 0.00 0.00 176.54 175.07 1iqd s THR 10 N -5.43 0.18 -0.19 4.70 2.01 -1.26 -1.91 115.64 113.73 1iqd s THR 10 Ca -0.13 0.18 -0.05 0.00 0.31 0.00 0.00 61.69 62.01 1iqd s THR 10 Cb 0.11 -0.34 -0.02 0.00 0.01 0.00 0.00 72.50 72.25 1iqd s THR 10 CO 0.77 0.20 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.67 1iqd s LEU 11 N 1.65 3.25 -0.28 4.42 2.96 0.63 -4.96 118.68 126.33 1iqd s LEU 11 Ca -0.01 -0.19 -0.04 0.00 -0.22 0.00 0.00 54.13 53.66 1iqd s LEU 11 Cb -0.13 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.77 1iqd s LEU 11 CO -0.03 0.08 0.03 -0.44 -1.32 0.00 0.00 176.35 174.66 1iqd s SER 12 N 0.90 4.85 0.17 3.68 0.01 -1.26 -0.49 113.70 121.56 1iqd s SER 12 Ca 0.01 -0.88 -0.01 0.00 1.31 0.00 0.00 55.95 56.38 1iqd s SER 12 Cb -0.14 -1.78 -0.04 0.00 0.21 0.00 0.00 66.02 64.26 1iqd s SER 12 CO 0.02 -0.19 0.08 -0.76 0.41 0.00 0.00 173.24 172.79 1iqd s LEU 13 N 1.40 1.58 0.14 2.44 1.43 -0.88 -4.72 118.68 120.06 1iqd s LEU 13 Ca 0.00 -1.28 0.04 0.00 -1.03 0.00 0.00 54.13 51.86 1iqd s LEU 13 Cb -0.18 0.27 -0.04 0.00 0.03 0.00 0.00 46.19 46.27 1iqd s LEU 13 CO -0.00 -0.75 0.13 -0.44 0.23 0.00 0.00 176.35 175.52 1iqd s SER 14 N -3.12 5.60 0.35 2.29 0.01 -1.26 -0.75 113.70 116.81 1iqd s SER 14 Ca 0.30 -0.06 -0.27 0.00 1.31 0.00 0.00 55.95 57.23 1iqd s SER 14 Cb 0.07 -1.50 -0.12 0.00 0.21 0.00 0.00 66.02 64.68 1iqd s SER 14 CO 0.07 0.10 1.20 -2.65 0.41 0.00 0.00 173.24 172.37 1iqd n PRO 15 N -0.13 1.87 0.00 12.44 -0.02 -1.26 -1.76 135.00 146.15 1iqd n PRO 15 Ca -0.08 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1iqd n PRO 15 Cb 0.54 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1iqd n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iqd n GLY 16 N 0.90 2.43 3.89 -1.23 0.00 0.24 -4.91 105.19 106.52 1iqd n GLY 16 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1iqd n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iqd s GLU 17 N -0.69 3.46 -0.12 1.61 2.02 -0.72 -4.27 118.70 120.00 1iqd s GLU 17 Ca 0.00 0.48 -0.23 0.00 0.02 0.00 0.00 54.97 55.24 1iqd s GLU 17 Cb 0.00 -2.19 -0.03 0.00 0.10 0.00 0.00 34.13 32.01 1iqd s GLU 17 CO 0.00 -0.49 0.71 0.50 0.02 0.00 0.00 175.26 176.00 1iqd s ARG 18 N -5.03 4.36 -0.09 1.61 6.06 -1.24 -0.37 118.95 124.25 1iqd s ARG 18 Ca 0.53 0.85 -0.01 0.00 -2.50 0.00 0.00 55.73 54.60 1iqd s ARG 18 Cb -0.11 -3.50 -0.03 0.00 0.06 0.00 0.00 34.95 31.37 1iqd s ARG 18 CO 0.50 -0.08 -0.04 0.00 -2.50 0.00 0.00 175.30 173.17 1iqd s ALA 19 N 1.32 3.06 -0.10 6.12 0.00 -0.23 -4.97 121.76 126.97 1iqd s ALA 19 Ca 0.36 -0.85 -0.00 0.00 0.00 0.00 0.00 51.96 51.46 1iqd s ALA 19 Cb -0.17 -1.36 0.02 0.00 0.00 0.00 0.00 23.12 21.62 1iqd s ALA 19 CO 0.15 0.51 -0.05 0.99 0.00 0.00 0.00 175.76 177.36 1iqd s THR 20 N -0.61 0.82 -0.04 0.00 2.01 -1.26 -1.01 115.64 115.54 1iqd s THR 20 Ca 0.09 -0.17 0.06 0.00 0.31 0.00 0.00 61.69 61.98 1iqd s THR 20 Cb -0.12 -0.87 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 1iqd s THR 20 CO 0.02 0.33 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.30 1iqd s LEU 21 N 1.69 2.31 0.20 4.42 1.43 -0.28 -4.85 118.68 123.60 1iqd s LEU 21 Ca 0.03 -0.38 0.09 0.00 -1.03 0.00 0.00 54.13 52.84 1iqd s LEU 21 Cb -0.13 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 1iqd s LEU 21 CO -0.06 0.31 -0.06 -0.44 0.23 0.00 0.00 176.35 176.33 1iqd s SER 22 N -0.53 4.39 -0.13 2.29 0.01 -0.85 -1.22 113.70 117.65 1iqd s SER 22 Ca 0.07 -0.57 -0.04 0.00 1.31 0.00 0.00 55.95 56.72 1iqd s SER 22 Cb -0.11 -0.79 0.06 0.00 0.21 0.00 0.00 66.02 65.39 1iqd s SER 22 CO 0.01 0.07 0.13 0.00 0.41 0.00 0.00 173.24 173.86 1iqd s ARG 24 N 2.23 3.33 0.16 0.00 3.00 0.72 -1.79 118.95 126.60 1iqd s ARG 24 Ca 0.04 -0.40 0.05 0.00 0.00 0.00 0.00 55.73 55.41 1iqd s ARG 24 Cb -0.14 -2.91 -0.04 0.00 0.00 0.00 0.00 34.95 31.86 1iqd s ARG 24 CO -0.08 0.54 0.15 0.00 0.00 0.00 0.00 175.30 175.90 1iqd s ALA 25 N -0.41 3.60 0.24 2.13 0.00 -0.51 0.31 121.76 127.12 1iqd s ALA 25 Ca 0.08 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 50.88 1iqd s ALA 25 Cb -0.12 -1.40 0.28 0.00 0.00 0.00 0.00 23.12 21.88 1iqd s ALA 25 CO 0.02 0.50 1.58 0.77 0.00 0.00 0.00 175.76 178.63 1iqd h SER 26 N 2.37 0.29 -5.10 0.00 0.02 -1.49 -3.45 113.55 106.20 1iqd h SER 26 Ca -0.48 -0.16 -0.14 0.00 -0.84 0.00 0.00 61.79 60.17 1iqd h SER 26 Cb 1.20 -0.08 -0.18 0.00 0.14 0.00 0.00 62.40 63.47 1iqd h SER 26 CO 0.63 0.79 -0.67 -1.10 -1.14 0.00 0.00 176.83 175.35 1iqd s GLN 27 N -3.85 0.46 0.42 3.45 -0.21 -1.26 -4.98 119.66 113.69 1iqd s GLN 27 Ca -0.04 -0.86 -0.24 0.00 0.02 0.00 0.00 55.36 54.23 1iqd s GLN 27 Cb 0.12 0.17 -0.08 0.00 1.00 0.00 0.00 33.01 34.22 1iqd s GLN 27 CO 0.80 -0.09 1.14 -1.12 -2.12 0.00 0.00 175.29 173.90 1iqd s SER 28 N -2.11 6.45 0.18 5.90 0.01 -1.26 -4.70 113.70 118.17 1iqd s SER 28 Ca -0.06 2.27 -0.16 0.00 1.31 0.00 0.00 55.95 59.31 1iqd s SER 28 Cb -0.02 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.63 1iqd s SER 28 CO -0.05 -0.72 0.48 0.72 0.41 0.00 0.00 173.24 174.08 1iqd s PHE 29 N -1.50 -0.07 0.27 2.43 -0.12 -0.61 -4.97 117.98 113.40 1iqd s PHE 29 Ca 0.59 -0.28 -0.31 0.00 -0.05 0.00 0.00 56.93 56.89 1iqd s PHE 29 Cb -0.28 0.32 -0.12 0.00 -0.63 0.00 0.00 43.02 42.31 1iqd s PHE 29 CO 0.35 -0.87 1.54 0.45 -0.05 0.00 0.00 175.22 176.64 1iqd n SER 30 N -0.31 3.47 0.12 1.98 2.88 -1.26 -3.47 113.62 117.03 1iqd n SER 30 Ca -0.10 1.14 0.09 0.00 -1.33 0.00 0.00 58.87 58.67 1iqd n SER 30 Cb 0.63 -1.53 0.45 0.00 -0.75 0.00 0.00 64.21 63.01 1iqd n SER 30 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1iqd n SER 31 N 2.29 0.47 0.00 -3.46 3.41 -1.26 -1.95 113.62 113.12 1iqd n SER 31 Ca 0.10 0.68 0.06 0.00 -0.26 0.00 0.00 58.87 59.45 1iqd n SER 31 Cb 0.35 -0.75 0.33 0.00 -0.26 0.00 0.00 64.21 63.88 1iqd n SER 31 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1iqd n SER 32 N -2.08 0.00 -0.09 4.04 3.41 -1.26 -2.19 113.62 115.44 1iqd n SER 32 Ca 0.00 -1.41 0.04 0.00 -0.26 0.00 0.00 58.87 57.25 1iqd n SER 32 Cb 0.09 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.11 1iqd n SER 32 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1iqd n TYR 33 N -0.70 0.05 -4.25 7.33 4.01 -0.82 -4.35 117.16 118.44 1iqd n TYR 33 Ca 0.08 -0.69 -0.34 0.00 -0.16 0.00 0.00 57.90 56.80 1iqd n TYR 33 Cb 0.04 -0.09 -0.11 0.00 -0.31 0.00 0.00 39.34 38.86 1iqd n TYR 33 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1iqd s LEU 34 N -1.72 3.43 0.11 7.72 1.98 -1.18 -1.34 118.68 127.69 1iqd s LEU 34 Ca 0.14 -0.07 0.06 0.00 -2.89 0.00 0.00 54.13 51.37 1iqd s LEU 34 Cb 0.12 -1.84 -0.04 0.00 0.66 0.00 0.00 46.19 45.09 1iqd s LEU 34 CO 0.02 0.16 -0.14 0.00 -1.89 0.00 0.00 176.35 174.50 1iqd s ALA 35 N 0.41 1.44 -0.04 5.97 0.00 -0.11 -0.37 121.76 129.06 1iqd s ALA 35 Ca -0.01 -1.25 0.06 0.00 0.00 0.00 0.00 51.96 50.76 1iqd s ALA 35 Cb -0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1iqd s ALA 35 CO 0.02 0.11 -0.22 -1.58 0.00 0.00 0.00 175.76 174.09 1iqd s TRP 36 N -2.00 2.08 0.12 0.00 0.52 0.59 -1.24 118.94 119.01 1iqd s TRP 36 Ca 0.07 -0.55 0.07 0.00 0.02 0.00 0.00 56.10 55.71 1iqd s TRP 36 Cb -0.06 -1.37 -0.04 0.00 -1.15 0.00 0.00 33.47 30.86 1iqd s TRP 36 CO 0.03 -0.15 -0.18 0.71 0.02 0.00 0.00 176.95 177.38 1iqd s TYR 37 N -0.20 1.65 -0.01 -1.98 1.51 0.11 -0.57 117.35 117.86 1iqd s TYR 37 Ca -0.00 -0.46 0.08 0.00 -1.01 0.00 0.00 57.07 55.68 1iqd s TYR 37 Cb -0.12 -0.88 -0.02 0.00 -0.11 0.00 0.00 41.96 40.84 1iqd s TYR 37 CO 0.02 0.21 -0.25 -1.14 -1.11 0.00 0.00 175.55 173.27 1iqd s GLN 38 N -2.25 2.00 -0.04 -0.62 0.74 0.22 -0.91 119.66 118.81 1iqd s GLN 38 Ca 0.08 -0.93 -0.01 0.00 0.05 0.00 0.00 55.36 54.55 1iqd s GLN 38 Cb -0.08 -1.97 0.03 0.00 1.10 0.00 0.00 33.01 32.10 1iqd s GLN 38 CO 0.04 0.53 0.07 -1.14 -0.55 0.00 0.00 175.29 174.25 1iqd s GLN 39 N -0.69 0.01 0.09 1.67 0.74 0.80 -0.09 119.66 122.18 1iqd s GLN 39 Ca 0.10 0.25 0.05 0.00 0.05 0.00 0.00 55.36 55.81 1iqd s GLN 39 Cb -0.10 -0.23 -0.04 0.00 1.10 0.00 0.00 33.01 33.75 1iqd s GLN 39 CO -0.01 -0.17 0.00 0.15 -0.55 0.00 0.00 175.29 174.72 1iqd s LYS 40 N 1.11 2.57 0.19 1.67 1.02 -1.26 -1.96 119.74 123.07 1iqd s LYS 40 Ca -0.09 -0.83 -0.31 0.00 0.02 0.00 0.00 55.97 54.76 1iqd s LYS 40 Cb -0.12 -2.55 -0.16 0.00 -0.52 0.00 0.00 37.83 34.47 1iqd s LYS 40 CO -0.04 0.54 0.96 -0.35 -0.92 0.00 0.00 175.35 175.54 1iqd n PRO 41 N 0.58 0.80 -1.08 -1.68 -0.04 -1.26 -1.32 135.00 131.01 1iqd n PRO 41 Ca -0.11 0.28 -0.03 0.00 -0.04 0.00 0.00 63.50 63.61 1iqd n PRO 41 Cb 0.52 -1.63 -0.01 0.00 -0.04 0.00 0.00 33.50 32.34 1iqd n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1iqd n GLY 42 N 1.77 0.44 3.30 0.55 0.00 -1.26 -4.99 105.19 105.00 1iqd n GLY 42 Ca 0.15 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 1iqd n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1iqd s GLN 43 N -1.63 1.19 0.77 1.61 -0.21 -0.43 -5.14 119.66 115.82 1iqd s GLN 43 Ca 0.00 -1.30 -0.11 0.00 0.02 0.00 0.00 55.36 53.96 1iqd s GLN 43 Cb 0.00 -1.29 0.05 0.00 1.00 0.00 0.00 33.01 32.78 1iqd s GLN 43 CO 0.00 0.27 1.08 0.00 -2.12 0.00 0.00 175.29 174.53 1iqd s ALA 44 N -1.78 2.32 0.76 6.09 0.00 -1.26 -4.57 121.76 123.32 1iqd s ALA 44 Ca 0.12 -0.07 -0.13 0.00 0.00 0.00 0.00 51.96 51.87 1iqd s ALA 44 Cb -0.07 -3.15 0.05 0.00 0.00 0.00 0.00 23.12 19.96 1iqd s ALA 44 CO 0.05 -1.63 1.16 -2.14 0.00 0.00 0.00 175.76 173.20 1iqd s PRO 45 N -5.08 2.09 -0.12 0.00 0.02 -1.26 -4.66 135.00 125.98 1iqd s PRO 45 Ca 0.60 1.55 0.01 0.00 0.02 0.00 0.00 61.00 63.17 1iqd s PRO 45 Cb -0.15 -1.85 0.02 0.00 0.02 0.00 0.00 34.50 32.54 1iqd s PRO 45 CO 0.55 -1.83 -0.12 0.50 -0.33 0.00 0.00 177.00 175.77 1iqd s ARG 46 N -4.25 1.91 0.02 5.54 3.52 0.87 -4.95 118.95 121.61 1iqd s ARG 46 Ca 0.69 -0.42 -0.30 0.00 -0.13 0.00 0.00 55.73 55.57 1iqd s ARG 46 Cb -0.24 -1.78 -0.06 0.00 -1.56 0.00 0.00 34.95 31.32 1iqd s ARG 46 CO 0.48 -0.18 1.38 -1.17 -0.81 0.00 0.00 175.30 175.01 1iqd s LEU 47 N 1.37 4.33 -0.27 -0.88 1.98 -1.26 -0.61 118.68 123.33 1iqd s LEU 47 Ca 0.00 2.13 -0.11 0.00 -2.89 0.00 0.00 54.13 53.26 1iqd s LEU 47 Cb -0.13 -3.56 -0.13 0.00 0.66 0.00 0.00 46.19 43.02 1iqd s LEU 47 CO -0.06 -0.69 -0.33 0.18 -1.89 0.00 0.00 176.35 173.55 1iqd n LEU 48 N 5.11 2.13 -3.92 -0.68 4.77 0.26 -4.71 117.00 119.96 1iqd n LEU 48 Ca 0.13 0.25 -0.10 0.00 -0.03 0.00 0.00 56.01 56.25 1iqd n LEU 48 Cb 0.44 -0.83 -0.11 0.00 -2.33 0.00 0.00 43.42 40.59 1iqd n LEU 48 CO 0.58 0.64 -0.29 -0.63 -1.33 0.00 0.00 177.39 176.36 1iqd s ILE 49 N -2.51 0.07 0.09 -0.08 1.01 -1.12 -1.80 121.20 116.86 1iqd s ILE 49 Ca -0.38 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 59.65 1iqd s ILE 49 Cb 0.14 -0.26 -0.04 0.00 0.01 0.00 0.00 42.46 42.30 1iqd s ILE 49 CO 0.50 -0.34 0.02 -0.72 0.00 0.00 0.00 174.94 174.41 1iqd s TYR 50 N -1.05 0.67 -1.68 3.97 -0.85 0.30 -0.30 117.35 118.42 1iqd s TYR 50 Ca -0.11 -1.14 -0.00 0.00 -0.52 0.00 0.00 57.07 55.30 1iqd s TYR 50 Cb -0.07 -0.42 0.00 0.00 0.38 0.00 0.00 41.96 41.85 1iqd s TYR 50 CO -0.00 -0.45 0.05 0.41 -1.52 0.00 0.00 175.55 174.04 1iqd n GLY 51 N 0.01 -0.45 4.71 5.49 0.00 -0.01 -1.36 105.19 113.58 1iqd n GLY 51 Ca -0.10 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1iqd n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqd n ALA 52 N -2.09 0.00 -0.20 4.61 0.00 0.50 -4.16 120.51 119.17 1iqd n ALA 52 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1iqd n ALA 52 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1iqd n ALA 52 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1iqd n SER 53 N 0.37 0.10 -4.69 0.00 3.41 -1.18 -3.12 113.62 108.52 1iqd n SER 53 Ca 0.00 -0.42 -0.40 0.00 -0.26 0.00 0.00 58.87 57.79 1iqd n SER 53 Cb 0.00 0.24 -0.05 0.00 -0.26 0.00 0.00 64.21 64.14 1iqd n SER 53 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1iqd s THR 54 N -0.24 5.01 0.28 6.66 2.01 -0.47 -4.46 115.64 124.43 1iqd s THR 54 Ca 0.00 1.35 -0.24 0.00 0.31 0.00 0.00 61.69 63.12 1iqd s THR 54 Cb 0.00 -4.01 -0.09 0.00 0.01 0.00 0.00 72.50 68.41 1iqd s THR 54 CO 0.00 0.16 0.85 -0.13 -0.69 0.00 0.00 174.62 174.81 1iqd s ARG 55 N 1.46 4.46 0.55 4.92 0.52 -1.26 -0.54 118.95 129.06 1iqd s ARG 55 Ca 0.34 1.15 -0.16 0.00 -0.52 0.00 0.00 55.73 56.54 1iqd s ARG 55 Cb -0.17 -2.86 -0.06 0.00 0.52 0.00 0.00 34.95 32.38 1iqd s ARG 55 CO 0.14 0.34 1.01 0.00 0.02 0.00 0.00 175.30 176.81 1iqd s ALA 56 N -1.55 2.97 0.40 2.13 0.00 -0.75 -4.92 121.76 120.05 1iqd s ALA 56 Ca 0.47 0.21 -0.25 0.00 0.00 0.00 0.00 51.96 52.39 1iqd s ALA 56 Cb -0.18 -3.15 -0.11 0.00 0.00 0.00 0.00 23.12 19.68 1iqd s ALA 56 CO 0.23 -0.44 1.14 2.41 0.00 0.00 0.00 175.76 179.10 1iqd n THR 57 N -1.82 2.42 -0.10 0.00 -1.04 -1.26 -1.93 114.28 110.54 1iqd n THR 57 Ca 0.07 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.58 1iqd n THR 57 Cb 0.54 -1.34 0.00 0.00 -1.82 0.00 0.00 70.33 67.70 1iqd n THR 57 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1iqd n GLY 58 N 1.00 2.18 3.66 3.41 0.00 -1.26 -5.01 105.19 109.17 1iqd n GLY 58 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1iqd n GLY 58 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iqd s ILE 59 N -2.89 4.91 0.43 -0.61 -1.09 -0.81 -5.02 121.20 116.13 1iqd s ILE 59 Ca 0.00 1.49 -0.24 0.00 -2.23 0.00 0.00 60.65 59.67 1iqd s ILE 59 Cb 0.00 -4.08 -0.10 0.00 -1.58 0.00 0.00 42.46 36.70 1iqd s ILE 59 CO 0.00 0.03 1.01 -0.81 -1.23 0.00 0.00 174.94 173.93 1iqd n PRO 60 N 5.35 1.32 0.04 2.79 -0.04 -1.26 -4.80 135.00 138.41 1iqd n PRO 60 Ca 0.03 0.48 0.03 0.00 -0.04 0.00 0.00 63.50 63.99 1iqd n PRO 60 Cb 0.49 -2.05 0.14 0.00 -0.04 0.00 0.00 33.50 32.04 1iqd n PRO 60 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1iqd n ASP 61 N 0.43 0.13 -0.15 3.54 4.64 -1.26 -1.68 116.55 122.21 1iqd n ASP 61 Ca 0.10 0.55 0.08 0.00 -1.38 0.00 0.00 54.79 54.13 1iqd n ASP 61 Cb 0.40 -0.56 0.40 0.00 -1.04 0.00 0.00 41.12 40.32 1iqd n ASP 61 CO 0.00 0.00 0.00 -0.09 -0.82 0.00 0.00 177.20 176.29 1iqd h ARG 62 N 0.00 0.62 -5.95 -0.67 2.43 -1.96 -3.41 114.38 105.44 1iqd h ARG 62 Ca 0.00 -0.04 -0.59 0.00 -0.81 0.00 0.00 59.98 58.54 1iqd h ARG 62 Cb 0.05 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 29.39 1iqd h ARG 62 CO 0.00 0.41 -0.14 -0.06 -1.51 0.00 0.00 179.97 178.67 1iqd s PHE 63 N -5.58 3.66 -0.00 2.20 0.40 -0.68 -2.23 117.98 115.75 1iqd s PHE 63 Ca -0.09 1.01 -0.10 0.00 -0.60 0.00 0.00 56.93 57.16 1iqd s PHE 63 Cb 0.19 -2.44 0.01 0.00 0.51 0.00 0.00 43.02 41.29 1iqd s PHE 63 CO 0.76 0.44 0.19 -1.54 0.70 0.00 0.00 175.22 175.78 1iqd s SER 64 N -0.40 -0.04 0.09 1.36 1.04 -0.57 -4.96 113.70 110.22 1iqd s SER 64 Ca 0.26 -0.13 0.05 0.00 0.48 0.00 0.00 55.95 56.60 1iqd s SER 64 Cb -0.17 0.24 -0.03 0.00 0.10 0.00 0.00 66.02 66.16 1iqd s SER 64 CO 0.13 -0.40 -0.12 -0.83 0.98 0.00 0.00 173.24 173.00 1iqd s GLY 65 N -1.40 0.90 0.30 7.32 0.00 -1.26 -0.61 107.32 112.56 1iqd s GLY 65 Ca -0.14 -1.15 -0.06 0.00 0.00 0.00 0.00 44.72 43.37 1iqd s GLY 65 CO 0.02 -1.20 0.50 -1.14 0.00 0.00 0.00 173.10 171.29 1iqd n SER 66 N 0.79 -1.44 0.00 1.64 3.41 -0.50 -4.26 113.62 113.26 1iqd n SER 66 Ca -0.18 -2.39 0.00 0.00 -0.26 0.00 0.00 58.87 56.04 1iqd n SER 66 Cb 0.56 2.52 0.00 0.00 -0.26 0.00 0.00 64.21 67.03 1iqd n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iqd n GLY 67 N -0.44 2.03 3.62 5.00 0.00 -1.26 -1.05 105.19 113.09 1iqd n GLY 67 Ca -0.03 -2.05 -0.02 0.00 0.00 0.00 0.00 46.02 43.92 1iqd n GLY 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1iqd s SER 68 N 0.00 -0.13 0.45 1.61 1.04 -0.34 -4.85 113.70 111.48 1iqd s SER 68 Ca 0.00 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1iqd s SER 68 Cb 0.00 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1iqd s SER 68 CO 0.00 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.42 1iqd n GLY 69 N -0.35 1.70 0.00 7.32 0.00 -1.23 -2.67 105.19 109.97 1iqd n GLY 69 Ca -0.06 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1iqd n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iqd n THR 70 N 0.00 0.07 -4.09 2.61 -2.24 -1.26 -1.57 114.28 107.80 1iqd n THR 70 Ca 0.00 -0.48 -0.28 0.00 -2.27 0.00 0.00 64.05 61.02 1iqd n THR 70 Cb 0.00 1.06 -0.17 0.00 -2.10 0.00 0.00 70.33 69.13 1iqd n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iqd s ASP 71 N -0.07 2.36 0.09 3.42 2.15 -1.09 -1.43 116.67 122.10 1iqd s ASP 71 Ca 0.00 -0.39 0.07 0.00 0.43 0.00 0.00 52.55 52.66 1iqd s ASP 71 Cb 0.00 -1.00 -0.03 0.00 -0.30 0.00 0.00 42.92 41.59 1iqd s ASP 71 CO 0.00 -0.06 -0.17 -0.36 -0.17 0.00 0.00 175.17 174.41 1iqd s PHE 72 N 1.43 1.49 -0.02 -5.34 0.40 -0.74 -1.20 117.98 114.00 1iqd s PHE 72 Ca 0.02 -0.45 0.01 0.00 -0.60 0.00 0.00 56.93 55.91 1iqd s PHE 72 Cb -0.13 -0.82 0.01 0.00 0.51 0.00 0.00 43.02 42.58 1iqd s PHE 72 CO -0.07 0.13 -0.04 0.99 0.70 0.00 0.00 175.22 176.93 1iqd s THR 73 N -1.28 0.38 -0.21 0.64 2.01 -0.21 -1.94 115.64 115.04 1iqd s THR 73 Ca 0.03 -0.14 -0.05 0.00 0.31 0.00 0.00 61.69 61.84 1iqd s THR 73 Cb -0.10 -0.37 -0.02 0.00 0.01 0.00 0.00 72.50 72.03 1iqd s THR 73 CO 0.03 0.14 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.87 1iqd s LEU 74 N 0.30 3.14 -0.00 4.42 2.96 -0.36 -1.41 118.68 127.72 1iqd s LEU 74 Ca -0.03 -0.26 0.08 0.00 -0.22 0.00 0.00 54.13 53.70 1iqd s LEU 74 Cb -0.07 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 1iqd s LEU 74 CO -0.00 0.04 -0.24 -0.89 -1.32 0.00 0.00 176.35 173.94 1iqd s THR 75 N 1.14 1.89 -0.27 3.68 2.01 0.22 -1.13 115.64 123.17 1iqd s THR 75 Ca 0.02 -1.08 0.02 0.00 0.31 0.00 0.00 61.69 60.96 1iqd s THR 75 Cb -0.14 -1.58 0.07 0.00 0.01 0.00 0.00 72.50 70.86 1iqd s THR 75 CO 0.01 0.47 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.73 1iqd s ILE 76 N -0.61 1.98 0.14 1.82 1.01 -0.18 -1.52 121.20 123.84 1iqd s ILE 76 Ca 0.09 -1.67 -0.26 0.00 0.00 0.00 0.00 60.65 58.81 1iqd s ILE 76 Cb -0.09 -2.22 -0.01 0.00 0.01 0.00 0.00 42.46 40.15 1iqd s ILE 76 CO -0.00 -0.19 1.60 0.77 0.00 0.00 0.00 174.94 177.12 1iqd h SER 77 N 7.80 -1.10 -3.24 3.58 4.64 -1.73 -0.59 113.55 122.90 1iqd h SER 77 Ca -0.15 0.17 -0.49 0.00 -0.47 0.00 0.00 61.79 60.84 1iqd h SER 77 Cb 1.04 0.48 -0.40 0.00 -0.31 0.00 0.00 62.40 63.21 1iqd h SER 77 CO 0.46 -0.36 -0.76 -0.60 -0.87 0.00 0.00 176.83 174.70 1iqd s ARG 78 N -5.97 0.57 0.10 4.77 3.52 -1.26 -3.59 118.95 117.09 1iqd s ARG 78 Ca -0.15 -0.27 -0.31 0.00 -0.13 0.00 0.00 55.73 54.87 1iqd s ARG 78 Cb 0.11 -1.85 -0.08 0.00 -1.56 0.00 0.00 34.95 31.57 1iqd s ARG 78 CO 0.66 -0.58 1.44 -0.51 -0.81 0.00 0.00 175.30 175.50 1iqd s LEU 79 N 1.92 4.36 0.13 -0.88 1.43 0.50 -4.76 118.68 121.38 1iqd s LEU 79 Ca 0.01 2.34 0.04 0.00 -1.03 0.00 0.00 54.13 55.49 1iqd s LEU 79 Cb -0.16 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 1iqd s LEU 79 CO -0.08 -0.70 0.13 -1.61 0.23 0.00 0.00 176.35 174.32 1iqd s GLU 80 N 1.45 2.93 0.55 1.70 0.41 -1.26 0.81 118.70 125.28 1iqd s GLU 80 Ca 0.66 -0.79 0.28 0.00 -0.41 0.00 0.00 54.97 54.71 1iqd s GLU 80 Cb -0.37 -2.70 1.46 0.00 -1.78 0.00 0.00 34.13 30.74 1iqd s GLU 80 CO 0.30 0.52 1.95 -1.00 -0.49 0.00 0.00 175.26 176.54 1iqd h PRO 81 N 2.70 0.00 0.00 0.39 0.13 -1.99 0.14 132.00 133.38 1iqd h PRO 81 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1iqd h PRO 81 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1iqd h PRO 81 CO 0.65 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.57 1iqd n GLU 82 N -4.14 0.21 0.00 0.86 0.28 -1.26 -3.00 120.64 113.59 1iqd n GLU 82 Ca 0.11 0.12 0.12 0.00 -0.16 0.00 0.00 57.16 57.35 1iqd n GLU 82 Cb 0.69 -1.50 0.28 0.00 1.43 0.00 0.00 31.44 32.34 1iqd n GLU 82 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1iqd n ASP 83 N -1.34 0.74 -4.64 -1.84 8.00 0.50 -4.83 116.55 113.14 1iqd n ASP 83 Ca 0.08 -0.54 -0.43 0.00 0.71 0.00 0.00 54.79 54.61 1iqd n ASP 83 Cb 0.18 0.24 -0.02 0.00 -0.02 0.00 0.00 41.12 41.50 1iqd n ASP 83 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1iqd s PHE 84 N -2.81 3.04 0.00 1.24 0.08 -1.16 -4.88 117.98 113.50 1iqd s PHE 84 Ca 0.16 1.12 0.00 0.00 0.12 0.00 0.00 56.93 58.33 1iqd s PHE 84 Cb 0.18 -3.74 0.00 0.00 -0.57 0.00 0.00 43.02 38.89 1iqd s PHE 84 CO 0.64 -1.00 0.00 0.00 -0.10 0.00 0.00 175.22 174.76 1iqd n ALA 85 N 7.01 0.00 -2.78 5.36 0.00 -1.00 -4.99 120.51 124.12 1iqd n ALA 85 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.22 1iqd n ALA 85 Cb 0.47 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.82 1iqd n ALA 85 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1iqd s VAL 86 N -2.27 4.42 -0.02 0.00 1.01 -0.83 -0.08 120.40 122.63 1iqd s VAL 86 Ca 0.00 -0.19 0.06 0.00 0.00 0.00 0.00 61.98 61.86 1iqd s VAL 86 Cb 0.00 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 1iqd s VAL 86 CO 0.00 0.55 -0.21 -0.31 0.00 0.00 0.00 175.10 175.13 1iqd s TYR 87 N -0.37 2.47 -0.01 5.22 1.51 0.98 -0.14 117.35 127.01 1iqd s TYR 87 Ca 0.08 -0.33 0.04 0.00 -1.01 0.00 0.00 57.07 55.85 1iqd s TYR 87 Cb -0.12 -1.54 -0.01 0.00 -0.11 0.00 0.00 41.96 40.18 1iqd s TYR 87 CO 0.02 0.06 -0.14 0.71 -1.11 0.00 0.00 175.55 175.10 1iqd s TYR 88 N -0.68 1.25 0.39 2.71 2.02 -0.09 -0.36 117.35 122.60 1iqd s TYR 88 Ca 0.11 -0.25 0.08 0.00 -0.37 0.00 0.00 57.07 56.63 1iqd s TYR 88 Cb -0.10 -0.81 -0.03 0.00 -0.40 0.00 0.00 41.96 40.61 1iqd s TYR 88 CO -0.00 -0.04 0.29 0.00 -1.57 0.00 0.00 175.55 174.24 1iqd s GLN 90 N -4.03 0.55 -0.12 0.00 1.03 -0.38 -1.29 119.66 115.43 1iqd s GLN 90 Ca 0.44 -0.03 -0.00 0.00 0.04 0.00 0.00 55.36 55.81 1iqd s GLN 90 Cb -0.02 0.26 -0.02 0.00 0.03 0.00 0.00 33.01 33.26 1iqd s GLN 90 CO 0.26 -0.20 -0.12 0.21 -2.54 0.00 0.00 175.29 172.90 1iqd s LYS 91 N -1.84 3.30 0.36 9.60 2.20 -0.15 -0.93 119.74 132.28 1iqd s LYS 91 Ca 0.03 -0.65 0.01 0.00 -0.36 0.00 0.00 55.97 55.00 1iqd s LYS 91 Cb -0.01 -2.64 0.01 0.00 -1.51 0.00 0.00 37.83 33.69 1iqd s LYS 91 CO -0.03 0.29 0.12 2.48 -0.36 0.00 0.00 175.35 177.85 1iqd n TYR 92 N 3.32 0.11 -3.82 4.03 4.11 -0.45 -1.38 117.16 123.07 1iqd n TYR 92 Ca -0.18 -1.69 0.00 0.00 -0.00 0.00 0.00 57.90 56.04 1iqd n TYR 92 Cb 0.53 -0.27 0.00 0.00 -0.00 0.00 0.00 39.34 39.60 1iqd n TYR 92 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1iqd n GLY 93 N 0.63 -1.33 0.16 -7.48 0.00 -1.21 -4.79 105.19 91.16 1iqd n GLY 93 Ca -0.09 -1.15 0.03 0.00 0.00 0.00 0.00 46.02 44.81 1iqd n GLY 93 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1iqd h THR 94 N 0.00 1.05 0.00 2.61 2.02 -2.03 -3.38 112.91 113.18 1iqd h THR 94 Ca 0.00 -1.92 0.00 0.00 0.77 0.00 0.00 66.41 65.26 1iqd h THR 94 Cb 0.00 2.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1iqd h THR 94 CO 0.00 0.49 -0.78 -1.54 0.37 0.00 0.00 175.52 174.05 1iqd n SER 95 N -3.51 3.92 -3.48 4.18 3.41 -1.26 -5.10 113.62 111.77 1iqd n SER 95 Ca 0.00 -0.08 -0.10 0.00 -0.26 0.00 0.00 58.87 58.43 1iqd n SER 95 Cb 0.61 0.94 -0.02 0.00 -0.26 0.00 0.00 64.21 65.48 1iqd n SER 95 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iqd s ALA 96 N -1.73 -1.77 0.02 7.33 0.00 -1.26 -5.17 121.76 119.19 1iqd s ALA 96 Ca 0.00 0.90 0.02 0.00 0.00 0.00 0.00 51.96 52.88 1iqd s ALA 96 Cb 0.00 0.50 -0.01 0.00 0.00 0.00 0.00 23.12 23.60 1iqd s ALA 96 CO 0.00 -0.69 -0.07 -1.50 0.00 0.00 0.00 175.76 173.50 1iqd s ILE 97 N -3.19 0.49 0.05 0.00 1.10 -1.26 -3.35 121.20 115.04 1iqd s ILE 97 Ca 0.03 -0.64 -0.08 0.00 -0.51 0.00 0.00 60.65 59.45 1iqd s ILE 97 Cb -0.01 -0.49 -0.00 0.00 0.15 0.00 0.00 42.46 42.11 1iqd s ILE 97 CO -0.09 -0.12 0.16 0.28 -2.11 0.00 0.00 174.94 173.06 1iqd s THR 98 N -0.72 0.12 0.14 4.00 -1.32 -0.48 -4.99 115.64 112.39 1iqd s THR 98 Ca -0.04 -1.01 0.10 0.00 -1.21 0.00 0.00 61.69 59.53 1iqd s THR 98 Cb -0.06 -0.99 -0.04 0.00 -1.51 0.00 0.00 72.50 69.90 1iqd s THR 98 CO 0.00 -0.56 -0.23 -0.36 -2.21 0.00 0.00 174.62 171.26 1iqd s PHE 99 N -2.82 2.08 0.86 9.09 0.40 -1.26 -0.98 117.98 125.36 1iqd s PHE 99 Ca -0.03 -0.40 -0.12 0.00 -0.60 0.00 0.00 56.93 55.78 1iqd s PHE 99 Cb 0.00 -1.10 0.11 0.00 0.51 0.00 0.00 43.02 42.54 1iqd s PHE 99 CO -0.05 0.33 1.15 0.20 0.70 0.00 0.00 175.22 177.55 1iqd s GLY 100 N -2.22 1.58 0.19 4.36 0.00 -0.41 -4.56 107.32 106.26 1iqd s GLY 100 Ca 0.13 -0.56 0.24 0.00 0.00 0.00 0.00 44.72 44.53 1iqd s GLY 100 CO 0.06 -0.04 1.72 0.61 0.00 0.00 0.00 173.10 175.45 1iqd n GLN 101 N -3.55 0.18 0.00 2.90 0.00 -1.26 -4.72 117.38 110.93 1iqd n GLN 101 Ca 0.07 0.30 0.00 0.00 0.00 0.00 0.00 57.00 57.37 1iqd n GLN 101 Cb 0.60 -1.77 0.00 0.00 0.00 0.00 0.00 30.24 29.07 1iqd n GLN 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1iqd n GLY 102 N 0.55 2.20 2.99 2.61 0.00 -1.26 -5.06 105.19 107.21 1iqd n GLY 102 Ca 0.04 -1.72 -0.25 0.00 0.00 0.00 0.00 46.02 44.09 1iqd n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iqd s THR 103 N -1.87 1.08 -0.27 2.61 2.01 0.51 -4.76 115.64 114.95 1iqd s THR 103 Ca 0.00 -0.41 -0.12 0.00 0.31 0.00 0.00 61.69 61.46 1iqd s THR 103 Cb 0.00 -1.02 -0.05 0.00 0.01 0.00 0.00 72.50 71.44 1iqd s THR 103 CO 0.00 0.35 0.25 -0.60 -0.69 0.00 0.00 174.62 173.93 1iqd s ARG 104 N 0.94 4.00 -0.46 4.92 3.52 -0.80 -0.01 118.95 131.06 1iqd s ARG 104 Ca -0.09 -0.19 -0.15 0.00 -0.13 0.00 0.00 55.73 55.17 1iqd s ARG 104 Cb -0.15 -3.64 0.06 0.00 -1.56 0.00 0.00 34.95 29.66 1iqd s ARG 104 CO 0.00 -0.17 0.37 -1.17 -0.81 0.00 0.00 175.30 173.53 1iqd s LEU 105 N 1.73 5.48 0.29 -0.88 2.96 0.89 -0.27 118.68 128.88 1iqd s LEU 105 Ca 0.10 -1.21 0.08 0.00 -0.22 0.00 0.00 54.13 52.87 1iqd s LEU 105 Cb -0.16 -2.18 -0.03 0.00 0.50 0.00 0.00 46.19 44.32 1iqd s LEU 105 CO 0.10 -0.60 0.21 -1.83 -1.32 0.00 0.00 176.35 172.91 1iqd s GLU 106 N 1.67 2.75 0.06 1.98 -1.05 0.36 -2.37 118.70 122.09 1iqd s GLU 106 Ca 0.04 -1.21 -0.28 0.00 -0.15 0.00 0.00 54.97 53.37 1iqd s GLU 106 Cb -0.23 -2.47 -0.05 0.00 -0.44 0.00 0.00 34.13 30.95 1iqd s GLU 106 CO 0.08 0.26 0.91 0.42 0.95 0.00 0.00 175.26 177.88 1iqd s ILE 107 N -2.24 4.68 -0.59 1.83 1.01 -1.26 -2.08 121.20 122.55 1iqd s ILE 107 Ca 0.36 1.93 -0.28 0.00 0.00 0.00 0.00 60.65 62.67 1iqd s ILE 107 Cb -0.07 -4.26 0.01 0.00 0.01 0.00 0.00 42.46 38.16 1iqd s ILE 107 CO 0.25 0.28 1.45 -0.75 0.00 0.00 0.00 174.94 176.17 1iqd s LYS 108 N 0.31 3.21 0.24 2.79 2.47 0.07 -4.78 119.74 124.04 1iqd s LYS 108 Ca 0.46 0.36 0.03 0.00 -1.56 0.00 0.00 55.97 55.26 1iqd s LYS 108 Cb -0.22 -4.16 0.04 0.00 -1.46 0.00 0.00 37.83 32.03 1iqd s LYS 108 CO 0.27 -2.06 0.33 0.41 0.16 0.00 0.00 175.35 174.46 1iqd n GLY 109 N 5.33 1.64 3.78 5.54 0.00 -1.26 -4.78 105.19 115.43 1iqd n GLY 109 Ca 0.12 -2.12 -0.38 0.00 0.00 0.00 0.00 46.02 43.63 1iqd n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iqd s THR 110 N -0.56 5.00 0.12 2.61 2.01 -1.26 -4.98 115.64 118.59 1iqd s THR 110 Ca 0.24 1.01 -0.31 0.00 0.31 0.00 0.00 61.69 62.94 1iqd s THR 110 Cb -0.02 -3.81 -0.10 0.00 0.01 0.00 0.00 72.50 68.57 1iqd s THR 110 CO 0.16 0.47 1.85 -0.69 -0.69 0.00 0.00 174.62 175.71 1iqd s VAL 111 N -0.40 2.51 -0.11 3.82 1.01 -1.26 -4.52 120.40 121.46 1iqd s VAL 111 Ca 0.27 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.21 1iqd s VAL 111 Cb -0.17 -3.01 0.05 0.00 0.00 0.00 0.00 36.38 33.25 1iqd s VAL 111 CO 0.14 -0.00 0.25 0.00 0.00 0.00 0.00 175.10 175.49 1iqd s ALA 112 N 2.79 -0.56 0.58 5.51 0.00 0.12 -4.94 121.76 125.26 1iqd s ALA 112 Ca 0.82 0.99 -0.18 0.00 0.00 0.00 0.00 51.96 53.58 1iqd s ALA 112 Cb -0.46 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 1iqd s ALA 112 CO 0.37 -0.29 1.14 0.00 0.00 0.00 0.00 175.76 176.97 1iqd s ALA 113 N 1.51 2.62 0.44 0.00 0.00 -1.26 -1.66 121.76 123.41 1iqd s ALA 113 Ca -0.07 0.79 -0.16 0.00 0.00 0.00 0.00 51.96 52.51 1iqd s ALA 113 Cb -0.11 -3.36 -0.09 0.00 0.00 0.00 0.00 23.12 19.56 1iqd s ALA 113 CO -0.09 -0.94 0.89 -1.25 0.00 0.00 0.00 175.76 174.38 1iqd s PRO 114 N -3.47 3.99 -0.20 0.00 0.04 -1.26 -4.64 135.00 129.47 1iqd s PRO 114 Ca 0.72 0.85 -0.19 0.00 0.04 0.00 0.00 61.00 62.43 1iqd s PRO 114 Cb -0.24 -2.25 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 1iqd s PRO 114 CO 0.31 -0.09 0.54 -1.12 0.04 0.00 0.00 177.00 176.68 1iqd s SER 115 N -2.73 6.59 -0.12 6.66 0.01 -0.85 -4.82 113.70 118.44 1iqd s SER 115 Ca 0.57 0.71 -0.06 0.00 1.31 0.00 0.00 55.95 58.49 1iqd s SER 115 Cb -0.10 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 1iqd s SER 115 CO 0.24 -0.20 0.10 -0.69 0.41 0.00 0.00 173.24 173.11 1iqd s VAL 116 N 1.67 5.18 0.02 3.43 1.01 -1.26 -0.84 120.40 129.61 1iqd s VAL 116 Ca 0.25 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.34 1iqd s VAL 116 Cb -0.16 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 1iqd s VAL 116 CO 0.10 0.59 -0.07 -0.36 0.00 0.00 0.00 175.10 175.37 1iqd s PHE 117 N -0.81 0.57 -0.05 5.22 0.40 -0.25 -4.99 117.98 118.06 1iqd s PHE 117 Ca 0.13 -0.33 0.04 0.00 -0.60 0.00 0.00 56.93 56.17 1iqd s PHE 117 Cb -0.12 -0.35 -0.00 0.00 0.51 0.00 0.00 43.02 43.06 1iqd s PHE 117 CO 0.03 -0.06 -0.18 -1.50 0.70 0.00 0.00 175.22 174.22 1iqd s ILE 118 N -0.87 1.50 -0.17 0.64 2.07 -1.26 -0.60 121.20 122.51 1iqd s ILE 118 Ca -0.05 -0.74 0.01 0.00 -1.41 0.00 0.00 60.65 58.45 1iqd s ILE 118 Cb -0.07 -1.30 0.01 0.00 0.13 0.00 0.00 42.46 41.23 1iqd s ILE 118 CO 0.00 0.43 -0.18 -0.36 -1.91 0.00 0.00 174.94 172.92 1iqd s PHE 119 N 0.17 2.77 0.71 3.50 0.08 0.10 -5.00 117.98 120.30 1iqd s PHE 119 Ca -0.07 -1.39 -0.11 0.00 0.12 0.00 0.00 56.93 55.47 1iqd s PHE 119 Cb -0.13 -1.91 0.02 0.00 -0.57 0.00 0.00 43.02 40.43 1iqd s PHE 119 CO 0.03 -0.67 1.07 -2.14 -0.10 0.00 0.00 175.22 173.41 1iqd s PRO 120 N 1.10 2.78 0.42 0.24 0.02 -1.26 -1.68 135.00 136.63 1iqd s PRO 120 Ca 0.00 0.89 -0.25 0.00 0.02 0.00 0.00 61.00 61.66 1iqd s PRO 120 Cb -0.14 -1.98 -0.08 0.00 0.02 0.00 0.00 34.50 32.32 1iqd s PRO 120 CO -0.07 -1.19 1.26 -1.25 -0.33 0.00 0.00 177.00 175.43 1iqd s PRO 121 N -5.07 3.88 0.60 5.54 0.04 -1.19 -4.85 135.00 133.95 1iqd s PRO 121 Ca 0.58 2.06 -0.16 0.00 0.04 0.00 0.00 61.00 63.52 1iqd s PRO 121 Cb -0.14 -2.65 -0.03 0.00 0.04 0.00 0.00 34.50 31.71 1iqd s PRO 121 CO 0.55 -0.53 1.06 -1.54 0.04 0.00 0.00 177.00 176.58 1iqd s SER 122 N -0.91 5.73 0.37 6.66 1.04 -1.26 -4.89 113.70 120.43 1iqd s SER 122 Ca 0.59 1.84 0.06 0.00 0.48 0.00 0.00 55.95 58.92 1iqd s SER 122 Cb -0.36 -2.54 0.71 0.00 0.10 0.00 0.00 66.02 63.94 1iqd s SER 122 CO 0.45 -1.20 1.93 0.44 0.98 0.00 0.00 173.24 175.83 1iqd h ASP 123 N 0.42 0.42 -0.48 7.02 3.32 -1.99 -1.21 116.42 123.92 1iqd h ASP 123 Ca -0.47 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 56.52 1iqd h ASP 123 Cb 1.22 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 1iqd h ASP 123 CO 0.57 0.47 0.30 -0.08 -1.72 0.00 0.00 179.24 178.78 1iqd h GLU 124 N 0.45 0.64 -0.30 3.56 4.81 -2.00 -1.83 114.58 119.92 1iqd h GLU 124 Ca 0.10 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 1iqd h GLU 124 Cb 0.25 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1iqd h GLU 124 CO 0.00 0.45 -0.12 0.37 -0.73 0.00 0.00 179.01 178.99 1iqd h GLN 125 N 0.64 0.60 -0.94 1.92 4.15 -1.71 -2.91 115.11 116.86 1iqd h GLN 125 Ca 0.17 -0.25 0.21 0.00 0.77 0.00 0.00 58.65 59.55 1iqd h GLN 125 Cb -0.03 -0.02 -0.08 0.00 0.21 0.00 0.00 27.48 27.56 1iqd h GLN 125 CO -0.03 0.82 0.61 -0.07 -1.93 0.00 0.00 178.83 178.23 1iqd h LEU 126 N 0.36 0.47 -2.15 -2.39 3.38 -0.97 0.55 115.31 114.56 1iqd h LEU 126 Ca 0.07 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1iqd h LEU 126 Cb 0.63 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1iqd h LEU 126 CO 0.04 0.18 -0.07 0.11 0.09 0.00 0.00 178.44 178.79 1iqd h LYS 127 N 0.47 0.00 -0.00 1.13 6.56 -1.13 -0.73 116.57 122.87 1iqd h LYS 127 Ca 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.09 1iqd h LYS 127 Cb 1.16 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.82 1iqd h LYS 127 CO -0.22 0.07 -0.12 -1.13 -2.06 0.00 0.00 179.45 175.99 1iqd n SER 128 N -3.72 0.16 0.00 0.86 3.41 0.19 -4.91 113.62 109.62 1iqd n SER 128 Ca -0.02 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1iqd n SER 128 Cb 0.17 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1iqd n SER 128 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iqd n GLY 129 N 1.45 0.72 3.34 5.00 0.00 -0.28 -5.05 105.19 110.37 1iqd n GLY 129 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 1iqd n GLY 129 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iqd s THR 130 N -2.44 2.05 -0.12 2.61 2.01 -1.24 -0.51 115.64 118.00 1iqd s THR 130 Ca 0.00 -1.61 -0.00 0.00 0.31 0.00 0.00 61.69 60.39 1iqd s THR 130 Cb 0.00 -1.82 0.03 0.00 0.01 0.00 0.00 72.50 70.72 1iqd s THR 130 CO 0.00 0.09 -0.08 0.00 -0.69 0.00 0.00 174.62 173.94 1iqd s ALA 131 N -1.03 1.40 -0.18 7.40 0.00 0.47 -3.48 121.76 126.33 1iqd s ALA 131 Ca 0.11 -0.62 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 1iqd s ALA 131 Cb -0.10 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 1iqd s ALA 131 CO 0.05 -0.47 -0.11 -1.12 0.00 0.00 0.00 175.76 174.12 1iqd s SER 132 N 1.68 3.98 -0.20 0.00 0.01 -1.26 -0.76 113.70 117.15 1iqd s SER 132 Ca 0.04 -0.41 -0.06 0.00 1.31 0.00 0.00 55.95 56.84 1iqd s SER 132 Cb -0.13 -1.64 -0.03 0.00 0.21 0.00 0.00 66.02 64.43 1iqd s SER 132 CO -0.08 0.06 0.02 -0.69 0.41 0.00 0.00 173.24 172.96 1iqd s VAL 133 N 0.97 4.12 -0.08 3.43 1.01 0.35 -3.16 120.40 127.04 1iqd s VAL 133 Ca -0.02 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1iqd s VAL 133 Cb -0.15 -2.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 1iqd s VAL 133 CO -0.01 0.42 -0.11 -0.69 0.00 0.00 0.00 175.10 174.71 1iqd s VAL 134 N 0.96 3.31 -0.14 2.92 1.01 -0.67 -0.13 120.40 127.65 1iqd s VAL 134 Ca 0.02 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1iqd s VAL 134 Cb -0.14 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 33.91 1iqd s VAL 134 CO 0.02 0.57 -0.17 0.00 0.00 0.00 0.00 175.10 175.52 1iqd s LEU 136 N 1.16 3.21 -0.30 0.00 2.96 0.23 -0.57 118.68 125.38 1iqd s LEU 136 Ca -0.01 -0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 53.74 1iqd s LEU 136 Cb -0.14 -1.77 0.04 0.00 0.50 0.00 0.00 46.19 44.82 1iqd s LEU 136 CO -0.07 0.18 0.01 -0.76 -1.32 0.00 0.00 176.35 174.40 1iqd s LEU 137 N 0.29 3.82 -0.06 -0.68 1.02 0.94 -1.09 118.68 122.91 1iqd s LEU 137 Ca -0.04 -1.12 -0.01 0.00 0.02 0.00 0.00 54.13 52.98 1iqd s LEU 137 Cb -0.14 -1.74 -0.03 0.00 0.02 0.00 0.00 46.19 44.29 1iqd s LEU 137 CO 0.03 -0.24 0.01 0.21 0.02 0.00 0.00 176.35 176.39 1iqd s ASN 138 N 1.31 5.29 -0.91 2.29 2.47 -0.02 -0.31 114.94 125.07 1iqd s ASN 138 Ca -0.03 0.12 -0.08 0.00 0.42 0.00 0.00 52.86 53.30 1iqd s ASN 138 Cb -0.19 -1.48 0.01 0.00 -1.45 0.00 0.00 41.25 38.14 1iqd s ASN 138 CO -0.01 0.35 0.65 0.59 -3.72 0.00 0.00 177.10 174.96 1iqd n ASN 139 N 1.89 -5.27 -4.48 -4.21 5.03 -0.91 -2.00 115.26 105.32 1iqd n ASN 139 Ca -0.17 -0.88 -0.23 0.00 0.87 0.00 0.00 54.58 54.17 1iqd n ASN 139 Cb 0.53 -2.44 -0.11 0.00 -1.02 0.00 0.00 39.78 36.75 1iqd n ASN 139 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1iqd s PHE 140 N -3.12 2.08 -0.28 3.10 -0.71 0.51 -4.64 117.98 114.92 1iqd s PHE 140 Ca 0.13 -0.78 -0.25 0.00 -1.04 0.00 0.00 56.93 54.99 1iqd s PHE 140 Cb -0.06 -1.31 0.10 0.00 -1.21 0.00 0.00 43.02 40.54 1iqd s PHE 140 CO 0.88 0.22 0.87 -0.47 -1.34 0.00 0.00 175.22 175.39 1iqd s TYR 141 N -3.05 -0.64 1.20 3.49 6.14 -0.66 -0.44 117.35 123.39 1iqd s TYR 141 Ca 0.33 1.56 -0.17 0.00 0.64 0.00 0.00 57.07 59.42 1iqd s TYR 141 Cb 0.07 0.32 0.28 0.00 0.42 0.00 0.00 41.96 43.05 1iqd s TYR 141 CO 0.15 -0.31 1.06 -1.25 0.64 0.00 0.00 175.55 175.83 1iqd s PRO 142 N 0.35 -1.17 0.49 4.97 0.04 -1.26 -0.70 135.00 137.72 1iqd s PRO 142 Ca 0.01 0.22 0.15 0.00 0.04 0.00 0.00 61.00 61.42 1iqd s PRO 142 Cb -0.05 -1.58 1.18 0.00 0.04 0.00 0.00 34.50 34.09 1iqd s PRO 142 CO -0.03 -3.74 2.10 -0.09 0.04 0.00 0.00 177.00 175.28 1iqd h ARG 143 N -2.61 0.02 -6.63 4.56 2.43 -1.96 -3.44 114.38 106.75 1iqd h ARG 143 Ca -0.49 -0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.15 1iqd h ARG 143 Cb 1.32 -0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.90 1iqd h ARG 143 CO 0.41 0.07 0.71 -1.21 -1.51 0.00 0.00 179.97 178.44 1iqd s GLU 144 N -4.95 4.33 -0.05 0.20 8.01 -1.26 -5.00 118.70 119.98 1iqd s GLU 144 Ca -0.05 2.12 -0.29 0.00 0.01 0.00 0.00 54.97 56.76 1iqd s GLU 144 Cb 0.17 -3.20 0.09 0.00 -4.31 0.00 0.00 34.13 26.88 1iqd s GLU 144 CO 0.68 -0.37 0.79 0.00 0.01 0.00 0.00 175.26 176.36 1iqd s ALA 145 N 0.56 -1.80 -0.08 5.21 0.00 -1.26 -4.72 121.76 119.67 1iqd s ALA 145 Ca 0.61 1.25 0.03 0.00 0.00 0.00 0.00 51.96 53.85 1iqd s ALA 145 Cb -0.38 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.71 1iqd s ALA 145 CO 0.35 -0.44 -0.16 -1.59 0.00 0.00 0.00 175.76 173.92 1iqd s LYS 146 N -1.73 2.10 -0.12 0.00 0.00 -0.57 -5.00 119.74 114.43 1iqd s LYS 146 Ca -0.05 -0.55 -0.01 0.00 0.00 0.00 0.00 55.97 55.36 1iqd s LYS 146 Cb -0.00 -1.67 -0.02 0.00 0.00 0.00 0.00 37.83 36.13 1iqd s LYS 146 CO 0.02 0.07 -0.09 0.08 0.00 0.00 0.00 175.35 175.43 1iqd s VAL 147 N 0.56 3.42 -0.21 1.79 1.01 -1.26 -0.81 120.40 124.90 1iqd s VAL 147 Ca -0.16 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1iqd s VAL 147 Cb -0.16 -2.44 0.05 0.00 0.00 0.00 0.00 36.38 33.83 1iqd s VAL 147 CO 0.05 0.54 -0.08 -1.10 0.00 0.00 0.00 175.10 174.51 1iqd s GLN 148 N 0.02 1.79 0.11 2.72 -1.52 0.79 -4.96 119.66 118.61 1iqd s GLN 148 Ca -0.02 -0.90 -0.29 0.00 -1.95 0.00 0.00 55.36 52.20 1iqd s GLN 148 Cb -0.14 -2.48 -0.06 0.00 -0.22 0.00 0.00 33.01 30.11 1iqd s GLN 148 CO 0.04 -0.51 0.92 -1.58 -0.25 0.00 0.00 175.29 173.91 1iqd s TRP 149 N 1.41 3.82 -0.07 0.91 0.52 -1.26 -1.20 118.94 123.05 1iqd s TRP 149 Ca -0.04 1.75 0.00 0.00 0.02 0.00 0.00 56.10 57.84 1iqd s TRP 149 Cb -0.17 -3.01 0.02 0.00 -1.15 0.00 0.00 33.47 29.16 1iqd s TRP 149 CO -0.07 0.24 -0.06 0.15 0.02 0.00 0.00 176.95 177.24 1iqd s LYS 150 N -0.12 1.11 -0.26 4.98 1.02 -0.61 -0.41 119.74 125.45 1iqd s LYS 150 Ca 0.45 -0.15 -0.00 0.00 0.02 0.00 0.00 55.97 56.29 1iqd s LYS 150 Cb -0.23 -1.17 0.04 0.00 -0.52 0.00 0.00 37.83 35.96 1iqd s LYS 150 CO 0.29 -0.16 -0.07 0.08 -0.92 0.00 0.00 175.35 174.57 1iqd s VAL 151 N 1.33 2.65 -1.43 3.17 1.01 -0.80 -0.67 120.40 125.66 1iqd s VAL 151 Ca -0.04 -1.31 -0.06 0.00 0.00 0.00 0.00 61.98 60.57 1iqd s VAL 151 Cb -0.14 -2.45 0.04 0.00 0.00 0.00 0.00 36.38 33.84 1iqd s VAL 151 CO -0.03 0.06 0.78 0.47 0.00 0.00 0.00 175.10 176.39 1iqd n ASP 152 N 4.58 -2.62 0.00 3.32 8.00 0.24 -0.87 116.55 129.20 1iqd n ASP 152 Ca -0.15 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.52 1iqd n ASP 152 Cb 0.45 -3.81 0.00 0.00 -0.02 0.00 0.00 41.12 37.74 1iqd n ASP 152 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1iqd n ASN 153 N -2.94 -0.17 -4.63 -2.24 3.02 -1.26 -4.97 115.26 102.06 1iqd n ASN 153 Ca -0.15 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 53.99 1iqd n ASN 153 Cb 0.61 -1.40 -0.05 0.00 -0.61 0.00 0.00 39.78 38.33 1iqd n ASN 153 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1iqd s ALA 154 N -2.32 3.59 0.07 5.41 0.00 -0.05 -5.00 121.76 123.46 1iqd s ALA 154 Ca 0.00 -0.32 -0.31 0.00 0.00 0.00 0.00 51.96 51.34 1iqd s ALA 154 Cb 0.00 -3.23 -0.08 0.00 0.00 0.00 0.00 23.12 19.80 1iqd s ALA 154 CO 0.00 -1.01 1.69 -0.51 0.00 0.00 0.00 175.76 175.93 1iqd s LEU 155 N 2.81 4.37 0.09 0.00 1.43 -1.26 -1.91 118.68 124.21 1iqd s LEU 155 Ca 0.32 2.52 -0.16 0.00 -1.03 0.00 0.00 54.13 55.78 1iqd s LEU 155 Cb -0.15 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.45 1iqd s LEU 155 CO 0.10 -0.91 0.52 -1.10 0.23 0.00 0.00 176.35 175.18 1iqd s GLN 156 N 2.80 4.03 -0.16 1.70 -1.52 0.45 -4.98 119.66 121.98 1iqd s GLN 156 Ca 0.75 0.54 -0.08 0.00 -1.95 0.00 0.00 55.36 54.62 1iqd s GLN 156 Cb -0.40 -3.10 0.06 0.00 -0.22 0.00 0.00 33.01 29.35 1iqd s GLN 156 CO 0.33 0.58 0.38 0.45 -0.25 0.00 0.00 175.29 176.79 1iqd s SER 157 N -1.39 -0.44 0.00 5.90 0.15 -1.26 -4.52 113.70 112.14 1iqd s SER 157 Ca 0.32 0.84 0.00 0.00 0.70 0.00 0.00 55.95 57.81 1iqd s SER 157 Cb -0.17 0.77 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 1iqd s SER 157 CO 0.18 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.03 1iqd n GLY 158 N 4.39 1.80 1.27 9.45 0.00 -1.26 -4.89 105.19 115.96 1iqd n GLY 158 Ca -0.22 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.75 1iqd n GLY 158 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1iqd n ASN 159 N 0.00 2.88 -3.89 1.61 0.23 -1.26 -4.98 115.26 109.85 1iqd n ASN 159 Ca 0.00 -3.64 -0.10 0.00 -0.53 0.00 0.00 54.58 50.31 1iqd n ASN 159 Cb 0.00 -0.65 -0.09 0.00 -2.08 0.00 0.00 39.78 36.96 1iqd n ASN 159 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1iqd s SER 160 N -2.27 0.08 0.02 0.53 1.04 -1.26 -1.96 113.70 109.88 1iqd s SER 160 Ca 0.46 -0.36 0.02 0.00 0.48 0.00 0.00 55.95 56.56 1iqd s SER 160 Cb 0.41 0.23 -0.01 0.00 0.10 0.00 0.00 66.02 66.74 1iqd s SER 160 CO 0.03 -0.46 -0.08 0.00 0.98 0.00 0.00 173.24 173.71 1iqd s GLN 161 N -2.05 0.56 0.14 4.02 -2.07 -0.56 -4.96 119.66 114.73 1iqd s GLN 161 Ca -0.09 -0.48 0.05 0.00 -1.82 0.00 0.00 55.36 53.01 1iqd s GLN 161 Cb -0.04 -0.46 -0.04 0.00 -1.09 0.00 0.00 33.01 31.37 1iqd s GLN 161 CO -0.02 0.11 -0.12 -1.83 -1.32 0.00 0.00 175.29 172.12 1iqd s GLU 162 N -0.80 1.03 0.01 9.60 -1.05 -1.26 -0.68 118.70 125.55 1iqd s GLU 162 Ca -0.02 -1.35 -0.09 0.00 -0.15 0.00 0.00 54.97 53.35 1iqd s GLU 162 Cb -0.06 -0.72 0.01 0.00 -0.44 0.00 0.00 34.13 32.91 1iqd s GLU 162 CO 0.00 0.11 0.19 -1.54 0.95 0.00 0.00 175.26 174.97 1iqd s SER 163 N -2.85 -0.01 -0.02 0.83 1.04 -0.89 -5.01 113.70 106.79 1iqd s SER 163 Ca 0.13 -0.20 0.07 0.00 0.48 0.00 0.00 55.95 56.42 1iqd s SER 163 Cb -0.01 0.25 -0.02 0.00 0.10 0.00 0.00 66.02 66.35 1iqd s SER 163 CO 0.02 -0.44 -0.23 -0.69 0.98 0.00 0.00 173.24 172.88 1iqd s VAL 164 N -1.74 1.79 0.93 5.02 1.01 -1.26 -2.14 120.40 123.99 1iqd s VAL 164 Ca -0.12 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 60.78 1iqd s VAL 164 Cb -0.05 -1.49 0.15 0.00 0.00 0.00 0.00 36.38 34.99 1iqd s VAL 164 CO 0.00 0.50 1.12 0.42 0.00 0.00 0.00 175.10 177.14 1iqd s THR 165 N -0.48 2.19 0.52 3.92 -4.23 -0.62 -5.01 115.64 111.94 1iqd s THR 165 Ca 0.07 0.06 -0.19 0.00 -1.18 0.00 0.00 61.69 60.45 1iqd s THR 165 Cb -0.09 -2.71 -0.07 0.00 1.34 0.00 0.00 72.50 70.97 1iqd s THR 165 CO -0.00 -0.08 1.06 -0.70 -0.54 0.00 0.00 174.62 174.35 1iqd s GLU 166 N -5.14 3.62 0.34 3.99 2.56 -1.26 -4.67 118.70 118.14 1iqd s GLU 166 Ca 0.64 1.36 -0.28 0.00 0.00 0.00 0.00 54.97 56.69 1iqd s GLU 166 Cb -0.16 -2.07 -0.12 0.00 2.00 0.00 0.00 34.13 33.78 1iqd s GLU 166 CO 0.55 -0.58 1.39 0.94 -0.56 0.00 0.00 175.26 177.00 1iqd n GLN 167 N -1.26 2.36 -2.42 4.30 7.27 -1.26 -4.83 117.38 121.54 1iqd n GLN 167 Ca 0.09 0.83 -0.43 0.00 0.07 0.00 0.00 57.00 57.57 1iqd n GLN 167 Cb 0.52 -2.48 -0.02 0.00 2.41 0.00 0.00 30.24 30.67 1iqd n GLN 167 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1iqd s ASP 168 N -0.15 6.95 0.45 1.69 2.15 0.31 -4.91 116.67 123.16 1iqd s ASP 168 Ca 0.56 1.72 0.14 0.00 0.43 0.00 0.00 52.55 55.40 1iqd s ASP 168 Cb -0.54 -2.54 1.01 0.00 -0.30 0.00 0.00 42.92 40.56 1iqd s ASP 168 CO 0.61 -0.74 2.00 0.28 -0.17 0.00 0.00 175.17 177.15 1iqd h SER 169 N 8.13 0.01 -0.01 -0.34 0.02 -1.90 0.34 113.55 119.80 1iqd h SER 169 Ca -0.28 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.62 1iqd h SER 169 Cb 1.11 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1iqd h SER 169 CO 0.96 0.18 -0.21 0.11 -1.14 0.00 0.00 176.83 176.72 1iqd h LYS 170 N 0.01 0.16 -0.06 3.45 1.57 -1.98 -3.38 116.57 116.34 1iqd h LYS 170 Ca 0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1iqd h LYS 170 Cb 0.30 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1iqd h LYS 170 CO 0.02 0.88 0.00 -0.40 -0.57 0.00 0.00 179.45 179.38 1iqd n ASP 171 N -4.54 1.88 0.00 0.86 5.68 -1.22 -4.99 116.55 114.22 1iqd n ASP 171 Ca -0.09 -1.48 0.00 0.00 -0.50 0.00 0.00 54.79 52.72 1iqd n ASP 171 Cb 0.48 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 1iqd n ASP 171 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1iqd n SER 172 N 0.39 -4.43 -4.86 -1.12 7.64 0.12 -4.80 113.62 106.56 1iqd n SER 172 Ca 0.05 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.70 1iqd n SER 172 Cb 0.24 -2.43 0.07 0.00 -1.01 0.00 0.00 64.21 61.07 1iqd n SER 172 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1iqd s THR 173 N -1.40 2.42 0.23 0.44 -4.23 -1.25 -4.65 115.64 107.20 1iqd s THR 173 Ca 0.00 -0.54 0.06 0.00 -1.18 0.00 0.00 61.69 60.03 1iqd s THR 173 Cb 0.00 -2.88 -0.05 0.00 1.34 0.00 0.00 72.50 70.91 1iqd s THR 173 CO 0.00 0.00 -0.08 -0.31 -0.54 0.00 0.00 174.62 173.69 1iqd s TYR 174 N -3.00 1.73 0.03 3.99 2.02 0.42 -0.53 117.35 122.02 1iqd s TYR 174 Ca 0.61 -0.70 0.01 0.00 -0.37 0.00 0.00 57.07 56.62 1iqd s TYR 174 Cb -0.09 -0.92 -0.02 0.00 -0.40 0.00 0.00 41.96 40.53 1iqd s TYR 174 CO 0.42 0.23 -0.06 -1.12 -1.57 0.00 0.00 175.55 173.45 1iqd s SER 175 N -3.35 0.62 0.01 2.29 0.01 -1.26 -0.36 113.70 111.65 1iqd s SER 175 Ca 0.26 -0.53 -0.01 0.00 1.31 0.00 0.00 55.95 56.98 1iqd s SER 175 Cb 0.02 0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.31 1iqd s SER 175 CO 0.08 -0.24 0.00 -0.22 0.41 0.00 0.00 173.24 173.28 1iqd s LEU 176 N -1.53 2.04 -0.04 2.44 0.20 0.58 -1.58 118.68 120.79 1iqd s LEU 176 Ca -0.12 -0.21 0.03 0.00 0.69 0.00 0.00 54.13 54.52 1iqd s LEU 176 Cb -0.10 0.11 0.00 0.00 -0.43 0.00 0.00 46.19 45.77 1iqd s LEU 176 CO -0.00 -0.15 -0.13 -0.94 -0.29 0.00 0.00 176.35 174.83 1iqd s SER 177 N -0.71 1.70 -0.09 3.68 1.04 -0.91 -0.04 113.70 118.37 1iqd s SER 177 Ca -0.08 -0.27 0.04 0.00 0.48 0.00 0.00 55.95 56.11 1iqd s SER 177 Cb -0.05 -0.49 0.00 0.00 0.10 0.00 0.00 66.02 65.59 1iqd s SER 177 CO -0.00 0.10 -0.21 -0.55 0.98 0.00 0.00 173.24 173.56 1iqd s SER 178 N 0.16 2.78 -0.17 7.02 0.15 0.27 -2.09 113.70 121.81 1iqd s SER 178 Ca -0.04 -0.50 -0.01 0.00 0.70 0.00 0.00 55.95 56.10 1iqd s SER 178 Cb -0.11 -1.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.93 1iqd s SER 178 CO 0.01 0.13 -0.13 -0.89 1.20 0.00 0.00 173.24 173.56 1iqd s THR 179 N 0.42 2.73 -0.23 6.45 2.01 0.14 -0.60 115.64 126.56 1iqd s THR 179 Ca -0.18 -0.73 -0.12 0.00 0.31 0.00 0.00 61.69 60.97 1iqd s THR 179 Cb -0.17 -2.18 -0.05 0.00 0.01 0.00 0.00 72.50 70.11 1iqd s THR 179 CO 0.08 0.50 0.22 -0.22 -0.69 0.00 0.00 174.62 174.50 1iqd s LEU 180 N 1.05 4.12 -0.18 4.42 2.96 0.81 -1.50 118.68 130.36 1iqd s LEU 180 Ca -0.01 0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 54.08 1iqd s LEU 180 Cb -0.15 -2.20 -0.01 0.00 0.50 0.00 0.00 46.19 44.34 1iqd s LEU 180 CO -0.03 0.02 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.04 1iqd s THR 181 N 1.18 3.08 0.10 3.68 2.01 -0.83 -0.50 115.64 124.36 1iqd s THR 181 Ca 0.10 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 61.52 1iqd s THR 181 Cb -0.14 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.98 1iqd s THR 181 CO 0.06 0.47 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.61 1iqd s LEU 182 N 1.08 2.42 0.73 4.42 1.43 0.06 -4.89 118.68 123.92 1iqd s LEU 182 Ca 0.00 -0.83 -0.11 0.00 -1.03 0.00 0.00 54.13 52.16 1iqd s LEU 182 Cb -0.15 -0.27 0.03 0.00 0.03 0.00 0.00 46.19 45.83 1iqd s LEU 182 CO -0.02 -0.29 1.08 -0.94 0.23 0.00 0.00 176.35 176.42 1iqd s SER 183 N -2.51 4.90 0.21 2.29 1.04 -1.26 -0.40 113.70 117.97 1iqd s SER 183 Ca 0.06 1.78 -0.10 0.00 0.48 0.00 0.00 55.95 58.17 1iqd s SER 183 Cb -0.02 -2.52 0.16 0.00 0.10 0.00 0.00 66.02 63.75 1iqd s SER 183 CO -0.01 -1.77 1.87 0.50 0.98 0.00 0.00 173.24 174.82 1iqd h LYS 184 N -0.79 0.94 0.23 4.02 3.64 -1.08 0.20 116.57 123.73 1iqd h LYS 184 Ca -0.44 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1iqd h LYS 184 Cb 1.23 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 1iqd h LYS 184 CO 0.54 0.62 -0.33 0.00 -2.27 0.00 0.00 179.45 178.00 1iqd h ALA 185 N 1.28 -0.64 -0.73 5.00 0.00 -1.91 -1.45 119.26 120.81 1iqd h ALA 185 Ca 0.27 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1iqd h ALA 185 Cb -0.08 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1iqd h ALA 185 CO -0.07 -0.91 0.22 -0.44 0.00 0.00 0.00 179.25 178.05 1iqd h ASP 186 N -0.63 1.06 -0.84 0.00 5.19 -1.88 -2.82 116.42 116.51 1iqd h ASP 186 Ca 0.00 -0.21 0.10 0.00 -0.62 0.00 0.00 57.03 56.30 1iqd h ASP 186 Cb 0.61 -0.28 -0.07 0.00 0.18 0.00 0.00 39.33 39.76 1iqd h ASP 186 CO -0.12 1.00 0.48 0.22 -3.12 0.00 0.00 179.24 177.69 1iqd h TYR 187 N 1.08 0.87 0.00 4.55 3.20 -0.67 -0.36 116.97 125.64 1iqd h TYR 187 Ca 0.23 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.13 1iqd h TYR 187 Cb 0.32 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1iqd h TYR 187 CO 0.03 0.35 0.00 0.39 -1.64 0.00 0.00 178.16 177.29 1iqd n GLU 188 N -4.74 0.60 0.00 1.82 1.02 -0.57 -2.93 120.64 115.84 1iqd n GLU 188 Ca 0.14 0.02 0.13 0.00 -0.02 0.00 0.00 57.16 57.43 1iqd n GLU 188 Cb 0.29 -1.50 0.46 0.00 -0.02 0.00 0.00 31.44 30.66 1iqd n GLU 188 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1iqd n LYS 189 N -1.16 0.30 -4.40 3.49 5.02 -0.15 -4.89 118.16 116.37 1iqd n LYS 189 Ca 0.16 -0.12 -0.20 0.00 -2.02 0.00 0.00 58.31 56.13 1iqd n LYS 189 Cb 0.16 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.57 1iqd n LYS 189 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1iqd s HIS 190 N -2.79 1.82 -0.03 2.13 3.76 -1.15 -5.09 115.29 113.95 1iqd s HIS 190 Ca 0.18 -0.78 -0.00 0.00 -0.15 0.00 0.00 55.06 54.31 1iqd s HIS 190 Cb 0.19 -1.05 -0.02 0.00 1.11 0.00 0.00 32.58 32.81 1iqd s HIS 190 CO 0.57 0.17 -0.03 1.17 -0.85 0.00 0.00 174.74 175.77 1iqd n LYS 191 N -0.53 0.07 -3.60 1.40 4.81 -1.26 -4.75 118.16 114.30 1iqd n LYS 191 Ca -0.05 0.02 -0.38 0.00 -0.87 0.00 0.00 58.31 57.02 1iqd n LYS 191 Cb 0.64 -0.96 -0.11 0.00 0.02 0.00 0.00 35.03 34.62 1iqd n LYS 191 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1iqd s VAL 192 N -2.06 5.19 -0.20 3.15 1.01 -1.26 -0.31 120.40 125.93 1iqd s VAL 192 Ca -0.04 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 1iqd s VAL 192 Cb 0.01 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.89 1iqd s VAL 192 CO 0.06 0.21 -0.13 -0.31 0.00 0.00 0.00 175.10 174.94 1iqd s TYR 193 N 1.74 2.87 0.13 5.22 2.02 -0.98 -0.59 117.35 127.75 1iqd s TYR 193 Ca 0.07 -1.34 0.06 0.00 -0.37 0.00 0.00 57.07 55.48 1iqd s TYR 193 Cb -0.16 -2.00 -0.04 0.00 -0.40 0.00 0.00 41.96 39.36 1iqd s TYR 193 CO 0.10 -0.69 -0.13 0.00 -1.57 0.00 0.00 175.55 173.25 1iqd s ALA 194 N 1.37 1.49 -0.26 3.71 0.00 0.16 -2.02 121.76 126.21 1iqd s ALA 194 Ca 0.05 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 50.71 1iqd s ALA 194 Cb -0.14 -0.06 0.07 0.00 0.00 0.00 0.00 23.12 22.99 1iqd s ALA 194 CO -0.09 0.07 -0.04 0.00 0.00 0.00 0.00 175.76 175.70 1iqd s GLU 196 N 1.27 3.62 -0.17 0.00 2.12 -0.34 -2.00 118.70 123.19 1iqd s GLU 196 Ca -0.03 -0.36 -0.04 0.00 0.36 0.00 0.00 54.97 54.89 1iqd s GLU 196 Cb -0.19 -3.78 -0.02 0.00 0.26 0.00 0.00 34.13 30.39 1iqd s GLU 196 CO -0.07 -0.49 -0.03 0.08 -0.54 0.00 0.00 175.26 174.21 1iqd s VAL 197 N 2.02 3.84 -0.14 3.70 1.01 0.28 -0.15 120.40 130.97 1iqd s VAL 197 Ca 0.12 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1iqd s VAL 197 Cb -0.16 -2.70 -0.00 0.00 0.00 0.00 0.00 36.38 33.51 1iqd s VAL 197 CO 0.11 0.47 -0.17 -0.89 0.00 0.00 0.00 175.10 174.62 1iqd s THR 198 N 0.65 2.61 -0.11 3.92 2.01 0.01 -2.55 115.64 122.19 1iqd s THR 198 Ca -0.02 -0.80 -0.15 0.00 0.31 0.00 0.00 61.69 61.03 1iqd s THR 198 Cb -0.14 -2.08 0.04 0.00 0.01 0.00 0.00 72.50 70.32 1iqd s THR 198 CO 0.02 0.53 0.38 -2.28 -0.69 0.00 0.00 174.62 172.58 1iqd s HIS 199 N 0.61 -0.37 -1.22 4.92 2.46 -1.26 -1.51 115.29 118.92 1iqd s HIS 199 Ca -0.09 0.85 0.00 0.00 0.47 0.00 0.00 55.06 56.28 1iqd s HIS 199 Cb -0.16 0.14 0.00 0.00 -0.13 0.00 0.00 32.58 32.44 1iqd s HIS 199 CO 0.03 -0.27 0.87 0.00 -2.47 0.00 0.00 174.74 172.89 1iqd n GLN 200 N 2.36 0.00 -0.07 2.88 10.64 -1.26 -0.26 117.38 131.67 1iqd n GLN 200 Ca -0.16 0.37 0.12 0.00 -1.83 0.00 0.00 57.00 55.50 1iqd n GLN 200 Cb 0.57 -1.51 0.32 0.00 -0.86 0.00 0.00 30.24 28.76 1iqd n GLN 200 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1iqd n GLY 201 N -1.37 0.68 0.00 2.61 0.00 -1.26 -5.01 105.19 100.84 1iqd n GLY 201 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1iqd n GLY 201 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iqd n LEU 202 N 0.76 0.00 0.00 0.99 4.77 0.64 -4.02 117.00 120.14 1iqd n LEU 202 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1iqd n LEU 202 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1iqd n LEU 202 CO 0.15 0.00 0.00 0.55 -1.33 0.00 0.00 177.39 176.76 1iqd n VAL 206 N 0.00 0.00 -4.23 4.08 3.14 -1.06 -4.78 118.33 115.48 1iqd n VAL 206 Ca 0.00 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.18 1iqd n VAL 206 Cb 0.00 0.00 -0.16 0.00 -1.06 0.00 0.00 33.84 32.62 1iqd n VAL 206 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1iqd s THR 207 N -0.74 0.60 -0.08 1.55 2.01 -1.26 -0.55 115.64 117.17 1iqd s THR 207 Ca 0.00 -0.19 0.05 0.00 0.31 0.00 0.00 61.69 61.86 1iqd s THR 207 Cb 0.00 -0.59 -0.00 0.00 0.01 0.00 0.00 72.50 71.91 1iqd s THR 207 CO 0.00 0.23 -0.23 -0.54 -0.69 0.00 0.00 174.62 173.38 1iqd s LYS 208 N 0.70 2.70 0.28 4.92 3.01 -0.85 -4.95 119.74 125.55 1iqd s LYS 208 Ca -0.10 -0.85 -0.10 0.00 -1.01 0.00 0.00 55.97 53.91 1iqd s LYS 208 Cb -0.13 -2.15 -0.00 0.00 -1.01 0.00 0.00 37.83 34.54 1iqd s LYS 208 CO 0.01 0.26 0.47 -1.54 0.51 0.00 0.00 175.35 175.06 1iqd s SER 209 N 0.13 0.18 0.15 2.83 1.04 -1.26 -0.45 113.70 116.32 1iqd s SER 209 Ca -0.12 -1.11 -0.16 0.00 0.48 0.00 0.00 55.95 55.05 1iqd s SER 209 Cb -0.16 0.61 0.03 0.00 0.10 0.00 0.00 66.02 66.60 1iqd s SER 209 CO 0.06 -1.19 0.42 0.72 0.98 0.00 0.00 173.24 174.23 1iqd s PHE 210 N -3.69 -0.12 -0.22 5.02 -0.71 -0.86 -5.01 117.98 112.40 1iqd s PHE 210 Ca 0.25 -0.21 -0.09 0.00 -1.04 0.00 0.00 56.93 55.84 1iqd s PHE 210 Cb -0.00 0.26 -0.04 0.00 -1.21 0.00 0.00 43.02 42.02 1iqd s PHE 210 CO 0.12 -0.76 0.10 -0.80 -1.34 0.00 0.00 175.22 172.55 1iqd s ASN 211 N -2.84 5.73 0.00 1.98 0.01 -1.26 -2.33 114.94 116.23 1iqd s ASN 211 Ca 0.06 0.04 0.00 0.00 -0.71 0.00 0.00 52.86 52.25 1iqd s ASN 211 Cb 0.01 -2.01 0.00 0.00 0.41 0.00 0.00 41.25 39.66 1iqd s ASN 211 CO -0.08 0.09 0.38 -1.14 -1.51 0.00 0.00 177.10 174.84