#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qai n TRP 25 N 0.00 0.00 -0.10 -1.42 7.02 -1.26 -3.00 117.44 118.68 1qai n TRP 25 Ca 0.00 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.33 1qai n TRP 25 Cb 0.00 -0.27 -0.06 0.00 -2.42 0.00 0.00 31.31 28.56 1qai n TRP 25 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1qai n LEU 26 N -1.27 1.89 0.16 -0.99 4.77 -1.26 -3.86 117.00 116.44 1qai n LEU 26 Ca 0.11 0.44 0.15 0.00 -0.03 0.00 0.00 56.01 56.68 1qai n LEU 26 Cb 0.17 -0.84 0.72 0.00 -2.33 0.00 0.00 43.42 41.14 1qai n LEU 26 CO 0.16 -0.04 1.13 0.77 -1.33 0.00 0.00 177.39 178.08 1qai h SER 27 N -1.00 0.00 1.41 -1.43 4.64 -1.98 0.35 113.55 115.53 1qai h SER 27 Ca -0.22 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.02 1qai h SER 27 Cb 1.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 1qai h SER 27 CO -0.13 0.00 -0.61 0.44 -0.87 0.00 0.00 176.83 175.66 1qai h ASP 28 N 0.00 0.00 -1.72 4.97 3.32 -1.75 -3.38 116.42 117.87 1qai h ASP 28 Ca 0.10 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.70 1qai h ASP 28 Cb 0.46 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.60 1qai h ASP 28 CO -0.00 0.32 -1.17 0.49 -1.72 0.00 0.00 179.24 177.15 1qai n PHE 29 N -3.06 0.65 -0.13 4.55 3.72 -0.43 -4.95 117.46 117.82 1qai n PHE 29 Ca 0.00 -3.52 0.19 0.00 -0.05 0.00 0.00 57.45 54.07 1qai n PHE 29 Cb 0.68 -0.41 0.59 0.00 -0.94 0.00 0.00 39.48 39.40 1qai n PHE 29 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1qai h PRO 30 N 2.99 0.22 -0.00 -1.08 0.13 -1.18 0.10 132.00 133.19 1qai h PRO 30 Ca 0.05 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1qai h PRO 30 Cb 1.01 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1qai h PRO 30 CO 0.52 0.15 -0.10 1.04 -0.23 0.00 0.00 178.00 179.37 1qai n GLN 31 N -4.42 0.61 0.02 0.86 1.13 -1.26 -2.20 117.38 112.11 1qai n GLN 31 Ca 0.14 -0.18 -0.08 0.00 -1.94 0.00 0.00 57.00 54.94 1qai n GLN 31 Cb 0.63 -1.50 -0.13 0.00 0.11 0.00 0.00 30.24 29.36 1qai n GLN 31 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1qai h ALA 32 N 3.55 0.55 -3.05 -1.58 0.00 -1.03 -3.38 119.26 114.32 1qai h ALA 32 Ca 0.00 -1.18 -0.63 0.00 0.00 0.00 0.00 54.91 53.10 1qai h ALA 32 Cb 0.35 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 1qai h ALA 32 CO 0.00 1.41 -0.55 -1.58 0.00 0.00 0.00 179.25 178.53 1qai s TRP 33 N -2.66 3.35 0.22 0.00 0.52 -1.22 -0.17 118.94 118.98 1qai s TRP 33 Ca -0.02 0.17 -0.01 0.00 0.02 0.00 0.00 56.10 56.26 1qai s TRP 33 Cb 0.09 -1.70 0.21 0.00 -1.15 0.00 0.00 33.47 30.92 1qai s TRP 33 CO 0.82 0.56 1.58 0.00 0.02 0.00 0.00 176.95 179.93 1qai h ALA 34 N 3.30 0.84 0.00 0.98 0.00 -1.52 0.93 119.26 123.79 1qai h ALA 34 Ca -0.46 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.00 1qai h ALA 34 Cb 1.16 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1qai h ALA 34 CO 0.70 0.65 0.00 0.39 0.00 0.00 0.00 179.25 180.99 1qai n GLU 35 N -4.01 0.21 0.00 0.00 4.71 -1.26 -1.53 120.64 118.75 1qai n GLU 35 Ca -0.02 0.39 0.00 0.00 -0.01 0.00 0.00 57.16 57.52 1qai n GLU 35 Cb 0.53 -1.87 0.00 0.00 -1.01 0.00 0.00 31.44 29.09 1qai n GLU 35 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1qai n THR 36 N -2.26 0.00 -0.46 2.62 -1.04 -1.10 -4.75 114.28 107.29 1qai n THR 36 Ca 0.03 -0.49 0.00 0.00 -2.04 0.00 0.00 64.05 61.55 1qai n THR 36 Cb 0.26 1.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.77 1qai n THR 36 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qai n GLY 37 N 0.93 -0.07 5.46 3.41 0.00 0.30 -4.62 105.19 110.61 1qai n GLY 37 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1qai n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qai n GLY 38 N -0.13 -1.50 3.43 -0.02 0.00 -0.58 -4.82 105.19 101.57 1qai n GLY 38 Ca 0.00 -1.18 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 1qai n GLY 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1qai n MET 39 N -1.80 0.08 -3.45 1.61 0.00 -1.26 -4.61 117.12 107.69 1qai n MET 39 Ca 0.00 0.07 -0.22 0.00 0.00 0.00 0.00 57.70 57.55 1qai n MET 39 Cb 0.11 -1.81 0.01 0.00 0.00 0.00 0.00 33.22 31.53 1qai n MET 39 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1qai s GLY 40 N -1.65 2.06 -0.30 3.03 0.00 -1.26 -5.01 107.32 104.19 1qai s GLY 40 Ca 0.62 -1.73 -0.02 0.00 0.00 0.00 0.00 44.72 43.58 1qai s GLY 40 CO 0.62 -1.77 0.63 -2.27 0.00 0.00 0.00 173.10 170.31 1qai s LEU 41 N -4.40 -1.33 -0.62 0.66 1.98 -0.64 -4.56 118.68 109.78 1qai s LEU 41 Ca 0.48 0.87 -0.26 0.00 -2.89 0.00 0.00 54.13 52.34 1qai s LEU 41 Cb -0.04 2.13 -0.05 0.00 0.66 0.00 0.00 46.19 48.89 1qai s LEU 41 CO 0.30 -0.25 2.11 0.00 -1.89 0.00 0.00 176.35 176.62 1qai s ALA 42 N 2.87 1.79 0.33 5.97 0.00 -0.39 -4.21 121.76 128.12 1qai s ALA 42 Ca 0.19 -0.52 0.07 0.00 0.00 0.00 0.00 51.96 51.70 1qai s ALA 42 Cb -0.15 -4.37 0.77 0.00 0.00 0.00 0.00 23.12 19.37 1qai s ALA 42 CO -0.20 -4.38 1.82 -0.39 0.00 0.00 0.00 175.76 172.60 1qai h VAL 43 N 7.28 0.77 -0.28 0.00 -1.51 -1.45 -2.26 116.25 118.80 1qai h VAL 43 Ca -0.19 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 1qai h VAL 43 Cb 1.17 -0.05 0.00 0.00 -2.13 0.00 0.00 31.29 30.28 1qai h VAL 43 CO 1.18 0.14 0.00 0.54 -1.23 0.00 0.00 177.57 178.20 1qai n ARG 44 N -4.66 1.86 -3.61 5.19 1.74 -1.26 -4.81 116.66 111.11 1qai n ARG 44 Ca 0.21 -1.31 -0.40 0.00 -0.77 0.00 0.00 57.85 55.58 1qai n ARG 44 Cb 0.53 -1.36 -0.10 0.00 -1.02 0.00 0.00 32.46 30.51 1qai n ARG 44 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1qai s GLN 45 N -1.63 2.66 0.72 5.56 -1.52 -0.85 -5.07 119.66 119.52 1qai s GLN 45 Ca 0.30 -1.35 -0.15 0.00 -1.95 0.00 0.00 55.36 52.20 1qai s GLN 45 Cb 0.16 -3.75 0.04 0.00 -0.22 0.00 0.00 33.01 29.24 1qai s GLN 45 CO 0.23 -0.88 1.22 0.00 -0.25 0.00 0.00 175.29 175.61 1qai s ALA 46 N 1.45 2.13 0.20 6.09 0.00 -1.26 -4.64 121.76 125.73 1qai s ALA 46 Ca 0.02 0.94 -0.32 0.00 0.00 0.00 0.00 51.96 52.60 1qai s ALA 46 Cb -0.22 -3.49 -0.14 0.00 0.00 0.00 0.00 23.12 19.27 1qai s ALA 46 CO 0.03 -1.88 1.40 -2.30 0.00 0.00 0.00 175.76 173.02 1qai n PRO 47 N -2.64 1.85 -2.98 0.00 -0.02 -1.26 -4.74 135.00 125.21 1qai n PRO 47 Ca 0.14 0.66 -0.40 0.00 -2.02 0.00 0.00 63.50 61.88 1qai n PRO 47 Cb 0.50 -2.32 -0.05 0.00 -0.02 0.00 0.00 33.50 31.61 1qai n PRO 47 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1qai s LEU 48 N 0.39 4.41 -0.11 2.45 1.43 0.67 -4.43 118.68 123.49 1qai s LEU 48 Ca 0.73 1.40 -0.08 0.00 -1.03 0.00 0.00 54.13 55.14 1qai s LEU 48 Cb -0.71 -3.22 -0.04 0.00 0.03 0.00 0.00 46.19 42.25 1qai s LEU 48 CO 0.47 -0.04 0.17 -0.63 0.23 0.00 0.00 176.35 176.55 1qai s ILE 49 N 0.24 5.45 -0.39 -0.59 1.09 -1.26 -0.31 121.20 125.42 1qai s ILE 49 Ca 0.39 0.28 -0.09 0.00 -1.10 0.00 0.00 60.65 60.14 1qai s ILE 49 Cb -0.20 -3.44 0.06 0.00 -1.06 0.00 0.00 42.46 37.82 1qai s ILE 49 CO 0.22 0.60 0.21 -0.63 -0.10 0.00 0.00 174.94 175.24 1qai s ILE 50 N -0.90 4.18 0.31 2.92 -1.09 -1.26 -5.03 121.20 120.32 1qai s ILE 50 Ca 0.15 -1.24 -0.29 0.00 -2.23 0.00 0.00 60.65 57.04 1qai s ILE 50 Cb -0.12 -3.48 -0.10 0.00 -1.58 0.00 0.00 42.46 37.18 1qai s ILE 50 CO 0.05 -0.38 1.40 -2.84 -1.23 0.00 0.00 174.94 171.93 1qai s PRO 51 N 1.44 4.27 0.52 2.79 0.02 -1.26 -4.96 135.00 137.82 1qai s PRO 51 Ca 0.02 2.32 0.08 0.00 0.02 0.00 0.00 61.00 63.45 1qai s PRO 51 Cb -0.21 -3.07 0.05 0.00 0.02 0.00 0.00 34.50 31.29 1qai s PRO 51 CO 0.03 -0.35 0.64 -0.51 -0.33 0.00 0.00 177.00 176.48 1qai s LEU 52 N -1.29 3.18 0.34 -5.54 1.43 -1.26 -1.61 118.68 113.94 1qai s LEU 52 Ca 0.54 -0.82 -0.12 0.00 -1.03 0.00 0.00 54.13 52.70 1qai s LEU 52 Cb -0.42 -1.81 -0.07 0.00 0.03 0.00 0.00 46.19 43.92 1qai s LEU 52 CO 0.51 -1.12 0.72 -0.54 0.23 0.00 0.00 176.35 176.15 1qai s LYS 53 N -4.49 3.86 0.16 1.70 1.02 -0.42 -4.08 119.74 117.50 1qai s LYS 53 Ca 0.54 0.50 -0.27 0.00 0.02 0.00 0.00 55.97 56.76 1qai s LYS 53 Cb -0.06 -2.45 -0.01 0.00 -0.52 0.00 0.00 37.83 34.79 1qai s LYS 53 CO 0.34 0.10 1.46 0.00 -0.92 0.00 0.00 175.35 176.32 1qai n ALA 54 N -0.77 -0.52 1.56 5.17 0.00 -1.26 -0.87 120.51 123.82 1qai n ALA 54 Ca 0.02 0.83 0.07 0.00 0.00 0.00 0.00 53.44 54.36 1qai n ALA 54 Cb 0.53 -0.19 0.30 0.00 0.00 0.00 0.00 19.45 20.10 1qai n ALA 54 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1qai n THR 55 N -5.22 0.15 -1.75 0.00 -2.24 -1.26 -4.92 114.28 99.04 1qai n THR 55 Ca 0.03 -0.19 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 1qai n THR 55 Cb 0.27 0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.53 1qai n THR 55 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1qai s SER 56 N -1.33 6.49 0.16 3.42 0.01 -0.05 -5.00 113.70 117.41 1qai s SER 56 Ca 0.22 2.59 0.10 0.00 1.31 0.00 0.00 55.95 60.17 1qai s SER 56 Cb 0.11 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 1qai s SER 56 CO 0.17 -1.02 -0.21 0.42 0.41 0.00 0.00 173.24 173.00 1qai s THR 57 N 4.17 2.03 0.26 1.44 -4.23 -1.26 -4.92 115.64 113.14 1qai s THR 57 Ca 0.84 -1.89 -0.30 0.00 -1.18 0.00 0.00 61.69 59.17 1qai s THR 57 Cb -0.41 -1.92 -0.14 0.00 1.34 0.00 0.00 72.50 71.37 1qai s THR 57 CO 0.39 -0.18 1.15 -2.65 -0.54 0.00 0.00 174.62 172.79 1qai n PRO 58 N 0.44 1.54 -3.82 3.99 -0.02 -1.26 -5.01 135.00 130.85 1qai n PRO 58 Ca -0.14 0.54 -0.24 0.00 -2.02 0.00 0.00 63.50 61.64 1qai n PRO 58 Cb 0.56 -2.01 -0.17 0.00 -0.02 0.00 0.00 33.50 31.85 1qai n PRO 58 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1qai s VAL 59 N -0.72 0.56 -0.35 -1.45 0.11 -1.26 -4.97 120.40 112.32 1qai s VAL 59 Ca 0.63 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.69 1qai s VAL 59 Cb -0.70 -0.67 0.10 0.00 -1.53 0.00 0.00 36.38 33.57 1qai s VAL 59 CO 0.57 0.29 0.08 -0.94 -3.33 0.00 0.00 175.10 171.77 1qai s SER 60 N 1.86 4.92 -0.54 3.54 1.04 -1.26 -2.42 113.70 120.84 1qai s SER 60 Ca 0.04 -1.96 -0.22 0.00 0.48 0.00 0.00 55.95 54.29 1qai s SER 60 Cb -0.12 -1.70 0.05 0.00 0.10 0.00 0.00 66.02 64.35 1qai s SER 60 CO -0.06 -0.41 0.83 -0.63 0.98 0.00 0.00 173.24 173.95 1qai s ILE 61 N 1.03 4.56 0.42 -1.02 -1.09 0.17 -4.85 121.20 120.43 1qai s ILE 61 Ca 0.07 -0.03 -0.21 0.00 -2.23 0.00 0.00 60.65 58.25 1qai s ILE 61 Cb -0.20 -4.46 -0.15 0.00 -1.58 0.00 0.00 42.46 36.06 1qai s ILE 61 CO -0.06 -1.02 0.07 0.29 -1.23 0.00 0.00 174.94 173.00 1qai n LYS 62 N 7.00 0.03 -1.74 2.79 4.01 -1.26 -3.65 118.16 125.34 1qai n LYS 62 Ca -0.02 0.01 -0.42 0.00 -0.51 0.00 0.00 58.31 57.37 1qai n LYS 62 Cb 0.47 -1.03 -0.03 0.00 -0.51 0.00 0.00 35.03 33.93 1qai n LYS 62 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 1qai s GLN 63 N -1.04 4.14 1.02 1.97 2.00 -1.26 -4.62 119.66 121.88 1qai s GLN 63 Ca 0.59 2.56 -0.14 0.00 -2.00 0.00 0.00 55.36 56.38 1qai s GLN 63 Cb -0.61 -3.61 0.12 0.00 0.80 0.00 0.00 33.01 29.70 1qai s GLN 63 CO 0.63 -0.83 0.55 0.66 -0.50 0.00 0.00 175.29 175.80 1qai n TYR 64 N 5.73 -0.95 -2.52 1.67 4.01 -1.26 -4.87 117.16 118.96 1qai n TYR 64 Ca 0.18 0.18 -0.43 0.00 -0.16 0.00 0.00 57.90 57.67 1qai n TYR 64 Cb 0.39 -1.76 -0.02 0.00 -0.31 0.00 0.00 39.34 37.63 1qai n TYR 64 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1qai s PRO 65 N -3.91 3.57 -0.01 -0.72 0.04 -1.26 -5.00 135.00 127.71 1qai s PRO 65 Ca 0.61 0.53 0.03 0.00 0.04 0.00 0.00 61.00 62.20 1qai s PRO 65 Cb -0.20 -3.99 -0.01 0.00 0.04 0.00 0.00 34.50 30.34 1qai s PRO 65 CO 0.65 -1.59 -0.08 -1.64 0.04 0.00 0.00 177.00 174.38 1qai s MET 66 N 4.85 0.71 0.45 4.56 -1.94 -1.26 -5.13 119.30 121.54 1qai s MET 66 Ca 0.50 -0.30 -0.22 0.00 -1.71 0.00 0.00 55.69 53.96 1qai s MET 66 Cb -0.09 -0.68 -0.11 0.00 2.01 0.00 0.00 34.83 35.96 1qai s MET 66 CO 0.29 0.17 0.69 -1.13 -0.01 0.00 0.00 175.02 175.03 1qai n SER 67 N 2.93 -0.25 0.15 3.03 3.41 -1.26 -4.88 113.62 116.75 1qai n SER 67 Ca -0.14 0.91 0.13 0.00 -0.26 0.00 0.00 58.87 59.51 1qai n SER 67 Cb 0.57 -1.20 0.34 0.00 -0.26 0.00 0.00 64.21 63.66 1qai n SER 67 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1qai h GLN 68 N 0.90 0.00 0.00 4.33 4.15 -2.00 -2.93 115.11 119.56 1qai h GLN 68 Ca -0.42 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.00 1qai h GLN 68 Cb 1.38 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.07 1qai h GLN 68 CO 0.52 0.00 0.00 -0.85 -1.93 0.00 0.00 178.83 176.57 1qai n GLU 69 N -2.57 0.31 -0.00 1.69 0.28 -1.26 -0.90 120.64 118.18 1qai n GLU 69 Ca 0.05 0.10 0.03 0.00 -0.16 0.00 0.00 57.16 57.18 1qai n GLU 69 Cb 0.45 -1.50 -0.04 0.00 1.43 0.00 0.00 31.44 31.78 1qai n GLU 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1qai n ALA 70 N -1.24 2.71 0.31 -1.84 0.00 -1.11 -4.40 120.51 114.93 1qai n ALA 70 Ca 0.09 -0.18 0.17 0.00 0.00 0.00 0.00 53.44 53.52 1qai n ALA 70 Cb 0.13 -0.24 0.74 0.00 0.00 0.00 0.00 19.45 20.09 1qai n ALA 70 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1qai h ARG 71 N 0.00 0.00 0.00 0.00 9.65 -0.99 -2.06 114.38 120.98 1qai h ARG 71 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1qai h ARG 71 Cb 0.20 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.78 1qai h ARG 71 CO 0.00 0.00 -1.86 1.28 2.80 0.00 0.00 179.97 182.19 1qai n LEU 72 N -2.89 0.12 0.16 3.80 4.77 -1.21 -3.73 117.00 118.02 1qai n LEU 72 Ca 0.00 0.01 0.04 0.00 -0.03 0.00 0.00 56.01 56.03 1qai n LEU 72 Cb 0.24 -0.01 0.09 0.00 -2.33 0.00 0.00 43.42 41.41 1qai n LEU 72 CO 0.24 -0.01 0.54 1.23 -1.33 0.00 0.00 177.39 178.06 1qai h GLY 73 N 4.05 0.00 0.76 -0.72 0.00 -1.59 -3.27 103.07 102.30 1qai h GLY 73 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 1qai h GLY 73 CO 0.00 0.00 -1.55 1.39 0.00 0.00 0.00 176.54 176.38 1qai n ILE 74 N -3.24 1.01 -0.21 2.60 5.41 -1.05 -4.33 119.36 119.55 1qai n ILE 74 Ca 0.02 -0.67 -0.01 0.00 1.00 0.00 0.00 62.75 63.09 1qai n ILE 74 Cb 0.68 -0.58 0.06 0.00 -0.71 0.00 0.00 39.64 39.09 1qai n ILE 74 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1qai h LYS 75 N 0.00 -0.01 -0.10 0.38 3.64 -1.64 0.29 116.57 119.13 1qai h LYS 75 Ca -0.17 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.24 1qai h LYS 75 Cb 1.53 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.35 1qai h LYS 75 CO 0.03 -0.00 0.16 -1.00 -2.27 0.00 0.00 179.45 176.37 1qai h PRO 76 N -0.01 0.00 0.04 1.90 0.13 -1.75 0.43 132.00 132.74 1qai h PRO 76 Ca 0.30 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 65.10 1qai h PRO 76 Cb 0.46 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.55 1qai h PRO 76 CO -0.64 0.00 -1.85 0.72 -0.23 0.00 0.00 178.00 176.00 1qai n HIS 77 N -3.51 1.02 0.06 1.56 8.25 0.80 -3.14 115.22 120.26 1qai n HIS 77 Ca -0.00 0.31 -0.12 0.00 -0.26 0.00 0.00 57.72 57.65 1qai n HIS 77 Cb 0.26 -1.17 -0.01 0.00 1.12 0.00 0.00 29.99 30.19 1qai n HIS 77 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1qai h ILE 78 N 0.02 1.40 -0.45 1.59 1.08 0.11 -2.78 117.51 118.48 1qai h ILE 78 Ca -0.35 -2.32 -0.11 0.00 -0.39 0.00 0.00 64.86 61.70 1qai h ILE 78 Cb 2.03 2.28 -0.01 0.00 -3.07 0.00 0.00 36.82 38.04 1qai h ILE 78 CO 0.08 0.69 -0.13 -0.61 -0.69 0.00 0.00 178.15 177.49 1qai h GLN 79 N 0.25 0.89 0.42 2.37 5.75 -0.34 -1.80 115.11 122.65 1qai h GLN 79 Ca -0.05 -0.35 -0.02 0.00 -0.15 0.00 0.00 58.65 58.08 1qai h GLN 79 Cb 1.45 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.95 1qai h GLN 79 CO 0.14 1.00 -0.24 -0.09 -2.65 0.00 0.00 178.83 176.99 1qai h ARG 80 N 0.73 -0.60 -0.90 1.69 2.43 -1.53 -1.67 114.38 114.52 1qai h ARG 80 Ca 0.11 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1qai h ARG 80 Cb 0.68 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.32 1qai h ARG 80 CO 0.05 -0.40 0.59 -0.07 -1.51 0.00 0.00 179.97 178.62 1qai h LEU 81 N -0.62 1.00 -1.08 3.80 4.07 -1.48 -0.80 115.31 120.19 1qai h LEU 81 Ca -0.05 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.87 1qai h LEU 81 Cb 0.50 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.97 1qai h LEU 81 CO 0.06 0.70 0.35 -0.07 -1.08 0.00 0.00 178.44 178.41 1qai h LEU 82 N 1.17 0.90 -0.87 1.67 3.38 -1.20 -0.57 115.31 119.78 1qai h LEU 82 Ca 0.34 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.14 1qai h LEU 82 Cb -0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1qai h LEU 82 CO -0.10 0.75 -0.38 0.44 0.09 0.00 0.00 178.44 179.25 1qai h ASP 83 N 1.00 0.00 0.73 -0.43 3.32 -0.37 -2.60 116.42 118.08 1qai h ASP 83 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1qai h ASP 83 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1qai h ASP 83 CO -0.03 0.38 -0.23 0.00 -1.72 0.00 0.00 179.24 177.64 1qai n GLN 84 N -3.50 0.05 -0.92 3.56 1.13 -0.39 -4.90 117.38 112.40 1qai n GLN 84 Ca -0.00 -0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 1qai n GLN 84 Cb 0.52 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.37 1qai n GLN 84 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1qai n GLY 85 N 1.48 0.59 0.10 1.08 0.00 -0.58 -4.90 105.19 102.96 1qai n GLY 85 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 1qai n GLY 85 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1qai h ILE 86 N 0.00 1.58 -3.63 -0.61 2.04 -1.39 -3.43 117.51 112.07 1qai h ILE 86 Ca 0.00 -2.93 -0.67 0.00 1.00 0.00 0.00 64.86 62.26 1qai h ILE 86 Cb 0.00 2.64 -0.17 0.00 -0.74 0.00 0.00 36.82 38.55 1qai h ILE 86 CO 0.00 0.84 -0.75 -0.76 0.00 0.00 0.00 178.15 177.49 1qai s LEU 87 N -7.14 2.97 -0.04 1.44 1.43 -1.04 -1.76 118.68 114.54 1qai s LEU 87 Ca -0.01 -0.38 -0.20 0.00 -1.03 0.00 0.00 54.13 52.51 1qai s LEU 87 Cb 0.10 -1.77 0.04 0.00 0.03 0.00 0.00 46.19 44.59 1qai s LEU 87 CO 0.82 0.20 0.43 -0.69 0.23 0.00 0.00 176.35 177.34 1qai s VAL 88 N -1.15 0.04 0.71 -1.59 1.01 -0.53 -4.42 120.40 114.47 1qai s VAL 88 Ca 0.20 -0.30 -0.14 0.00 0.00 0.00 0.00 61.98 61.74 1qai s VAL 88 Cb -0.11 -0.73 0.03 0.00 0.00 0.00 0.00 36.38 35.57 1qai s VAL 88 CO 0.12 -0.16 1.15 -2.84 0.00 0.00 0.00 175.10 173.36 1qai s PRO 89 N -1.15 2.39 0.00 2.72 0.02 -1.26 -0.91 135.00 136.81 1qai s PRO 89 Ca -0.12 1.53 0.00 0.00 0.02 0.00 0.00 61.00 62.44 1qai s PRO 89 Cb -0.04 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.60 1qai s PRO 89 CO 0.06 -1.60 0.00 0.00 -0.33 0.00 0.00 177.00 175.13 1qai s GLN 91 N -2.00 3.28 0.01 0.00 2.00 -1.26 -3.70 119.66 117.99 1qai s GLN 91 Ca 0.00 -0.68 0.00 0.00 -2.00 0.00 0.00 55.36 52.69 1qai s GLN 91 Cb 0.00 -2.89 -0.01 0.00 0.80 0.00 0.00 33.01 30.91 1qai s GLN 91 CO 0.00 -0.19 -0.02 0.45 -0.50 0.00 0.00 175.29 175.03 1qai s SER 92 N 1.40 0.23 0.13 6.67 0.15 -1.26 -5.00 113.70 116.01 1qai s SER 92 Ca 0.05 -0.22 0.12 0.00 0.70 0.00 0.00 55.95 56.60 1qai s SER 92 Cb -0.14 0.02 0.58 0.00 -1.71 0.00 0.00 66.02 64.78 1qai s SER 92 CO -0.06 -0.10 1.37 -0.81 1.20 0.00 0.00 173.24 174.84 1qai n PRO 93 N 2.46 0.07 -3.67 5.44 -0.04 -1.26 -4.64 135.00 133.35 1qai n PRO 93 Ca -0.17 0.48 -0.30 0.00 -0.04 0.00 0.00 63.50 63.48 1qai n PRO 93 Cb 0.58 -1.68 -0.04 0.00 -0.04 0.00 0.00 33.50 32.32 1qai n PRO 93 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1qai s TRP 94 N -3.20 3.48 -0.29 0.54 0.52 -1.26 -4.09 118.94 114.64 1qai s TRP 94 Ca 0.01 0.46 -0.16 0.00 0.02 0.00 0.00 56.10 56.43 1qai s TRP 94 Cb 0.05 -1.93 0.15 0.00 -1.15 0.00 0.00 33.47 30.59 1qai s TRP 94 CO 0.16 0.40 1.00 1.21 0.02 0.00 0.00 176.95 179.74 1qai s ASN 95 N -2.79 -0.46 0.01 2.95 2.47 -1.01 -4.57 114.94 111.53 1qai s ASN 95 Ca 0.40 0.74 0.05 0.00 0.42 0.00 0.00 52.86 54.47 1qai s ASN 95 Cb -0.12 1.19 -0.02 0.00 -1.45 0.00 0.00 41.25 40.86 1qai s ASN 95 CO 0.27 -0.12 -0.16 0.42 -3.72 0.00 0.00 177.10 173.80 1qai s THR 96 N 1.31 1.25 0.72 -5.21 -4.23 -0.84 0.46 115.64 109.10 1qai s THR 96 Ca -0.09 -0.83 -0.16 0.00 -1.18 0.00 0.00 61.69 59.43 1qai s THR 96 Cb -0.03 -1.07 0.03 0.00 1.34 0.00 0.00 72.50 72.76 1qai s THR 96 CO -0.14 0.23 1.25 -2.84 -0.54 0.00 0.00 174.62 172.57 1qai s PRO 97 N -0.70 2.15 -0.13 3.99 0.02 -1.24 -4.53 135.00 134.56 1qai s PRO 97 Ca 0.05 1.91 0.03 0.00 0.02 0.00 0.00 61.00 63.00 1qai s PRO 97 Cb -0.07 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.64 1qai s PRO 97 CO 0.00 -1.86 -0.22 -1.17 -0.33 0.00 0.00 177.00 173.42 1qai s LEU 98 N -4.98 2.12 -0.10 -5.54 0.20 -1.26 -1.69 118.68 107.43 1qai s LEU 98 Ca 0.78 -0.59 0.03 0.00 0.69 0.00 0.00 54.13 55.04 1qai s LEU 98 Cb -0.33 -1.44 0.00 0.00 -0.43 0.00 0.00 46.19 43.99 1qai s LEU 98 CO 0.44 0.10 -0.21 -1.48 -0.29 0.00 0.00 176.35 174.92 1qai s LEU 99 N 0.72 1.97 -0.37 -0.68 2.34 0.74 -4.78 118.68 118.62 1qai s LEU 99 Ca -0.09 -0.50 -0.27 0.00 0.06 0.00 0.00 54.13 53.32 1qai s LEU 99 Cb -0.16 -1.26 -0.04 0.00 -0.56 0.00 0.00 46.19 44.17 1qai s LEU 99 CO 0.00 0.11 2.08 -2.84 -1.06 0.00 0.00 176.35 174.65 1qai s PRO 100 N 0.50 2.90 0.08 1.48 0.02 -1.26 -2.24 135.00 136.48 1qai s PRO 100 Ca -0.16 1.51 0.09 0.00 0.02 0.00 0.00 61.00 62.45 1qai s PRO 100 Cb -0.17 -4.37 -0.03 0.00 0.02 0.00 0.00 34.50 29.95 1qai s PRO 100 CO 0.06 -2.37 -0.23 0.08 -0.33 0.00 0.00 177.00 174.21 1qai s VAL 101 N 8.83 1.85 1.08 3.83 1.01 -0.93 -4.95 120.40 131.12 1qai s VAL 101 Ca 0.89 -1.44 -0.18 0.00 0.00 0.00 0.00 61.98 61.24 1qai s VAL 101 Cb -0.23 -1.64 0.25 0.00 0.00 0.00 0.00 36.38 34.77 1qai s VAL 101 CO 0.31 0.12 1.28 -0.54 0.00 0.00 0.00 175.10 176.26 1qai s LYS 102 N -1.59 -0.30 -0.15 2.72 3.01 -1.26 -1.54 119.74 120.63 1qai s LYS 102 Ca 0.09 -0.43 -0.16 0.00 -1.01 0.00 0.00 55.97 54.45 1qai s LYS 102 Cb -0.10 -1.74 0.04 0.00 -1.01 0.00 0.00 37.83 35.03 1qai s LYS 102 CO 0.03 -3.04 0.45 0.15 0.51 0.00 0.00 175.35 173.45 1qai s LYS 103 N -5.83 0.55 0.60 1.68 -0.14 -1.26 -4.81 119.74 110.54 1qai s LYS 103 Ca 0.75 0.56 0.28 0.00 -1.36 0.00 0.00 55.97 56.20 1qai s LYS 103 Cb -0.04 0.27 1.27 0.00 -1.68 0.00 0.00 37.83 37.64 1qai s LYS 103 CO 0.54 -0.08 1.67 -1.35 -0.76 0.00 0.00 175.35 175.37 1qai h PRO 104 N 5.26 0.00 0.00 -1.68 0.11 -1.99 -3.39 132.00 130.30 1qai h PRO 104 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1qai h PRO 104 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1qai h PRO 104 CO 0.24 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.44 1qai n GLY 105 N -1.57 -0.57 3.77 -0.55 0.00 -1.26 -4.93 105.19 100.08 1qai n GLY 105 Ca 0.13 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 1qai n GLY 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qai s THR 106 N 0.00 2.14 -0.97 2.61 -4.23 -1.26 -4.86 115.64 109.07 1qai s THR 106 Ca 0.00 0.13 -0.24 0.00 -1.18 0.00 0.00 61.69 60.39 1qai s THR 106 Cb 0.00 -3.07 -0.06 0.00 1.34 0.00 0.00 72.50 70.70 1qai s THR 106 CO 0.00 0.02 1.96 0.21 -0.54 0.00 0.00 174.62 176.27 1qai s ASN 107 N -0.49 5.07 0.11 3.99 3.84 -1.26 -4.68 114.94 121.52 1qai s ASN 107 Ca 0.59 -0.90 -0.23 0.00 0.21 0.00 0.00 52.86 52.54 1qai s ASN 107 Cb -0.43 -2.57 0.06 0.00 -0.55 0.00 0.00 41.25 37.76 1qai s ASN 107 CO 0.56 -2.87 0.57 1.51 -2.79 0.00 0.00 177.10 174.08 1qai s ASP 108 N 7.75 -0.52 -0.23 -4.21 1.47 -1.26 -5.12 116.67 114.54 1qai s ASP 108 Ca 0.70 0.07 -0.19 0.00 1.18 0.00 0.00 52.55 54.32 1qai s ASP 108 Cb -0.05 0.56 -0.03 0.00 -0.34 0.00 0.00 42.92 43.06 1qai s ASP 108 CO 0.03 -0.88 0.55 -0.31 0.68 0.00 0.00 175.17 175.24 1qai s TYR 109 N -3.26 3.32 0.25 2.11 2.02 -1.26 -4.13 117.35 116.40 1qai s TYR 109 Ca -0.01 0.75 0.08 0.00 -0.37 0.00 0.00 57.07 57.51 1qai s TYR 109 Cb -0.00 -2.74 -0.04 0.00 -0.40 0.00 0.00 41.96 38.78 1qai s TYR 109 CO -0.08 -0.22 0.12 1.03 -1.57 0.00 0.00 175.55 174.82 1qai s ARG 110 N 2.08 2.69 -0.10 -0.62 0.52 -0.59 -4.18 118.95 118.76 1qai s ARG 110 Ca 0.24 -1.16 -0.30 0.00 -0.52 0.00 0.00 55.73 53.99 1qai s ARG 110 Cb -0.16 -2.43 -0.02 0.00 0.52 0.00 0.00 34.95 32.87 1qai s ARG 110 CO 0.09 0.40 1.13 -2.14 0.02 0.00 0.00 175.30 174.80 1qai s PRO 111 N -3.69 4.36 -0.25 3.54 0.02 -1.26 -2.19 135.00 135.52 1qai s PRO 111 Ca 0.32 1.55 0.00 0.00 0.02 0.00 0.00 61.00 62.90 1qai s PRO 111 Cb -0.08 -3.58 0.07 0.00 0.02 0.00 0.00 34.50 30.93 1qai s PRO 111 CO 0.23 -0.44 -0.01 0.08 -0.33 0.00 0.00 177.00 176.52 1qai s VAL 112 N 2.36 1.38 0.05 3.83 1.01 -0.95 -4.96 120.40 123.12 1qai s VAL 112 Ca 0.52 -1.26 -0.26 0.00 0.00 0.00 0.00 61.98 60.99 1qai s VAL 112 Cb -0.21 -1.76 -0.06 0.00 0.00 0.00 0.00 36.38 34.35 1qai s VAL 112 CO 0.19 -0.24 0.79 -1.58 0.00 0.00 0.00 175.10 174.26 1qai s GLN 113 N 1.44 4.52 -0.76 2.72 0.74 -1.26 -0.19 119.66 126.87 1qai s GLN 113 Ca -0.02 1.11 -0.18 0.00 0.05 0.00 0.00 55.36 56.32 1qai s GLN 113 Cb -0.18 -3.36 0.13 0.00 1.10 0.00 0.00 33.01 30.70 1qai s GLN 113 CO -0.09 0.28 0.89 0.34 -0.55 0.00 0.00 175.29 176.16 1qai s ASP 114 N -0.07 6.45 0.00 6.67 2.15 -0.68 -4.87 116.67 126.32 1qai s ASP 114 Ca 0.39 -1.85 0.21 0.00 0.43 0.00 0.00 52.55 51.74 1qai s ASP 114 Cb -0.21 -2.33 0.74 0.00 -0.30 0.00 0.00 42.92 40.82 1qai s ASP 114 CO 0.24 -1.03 1.54 0.18 -0.17 0.00 0.00 175.17 175.93 1qai n LEU 115 N 6.10 1.74 -0.28 -1.34 4.77 -1.26 -4.39 117.00 122.34 1qai n LEU 115 Ca 0.07 -0.72 0.02 0.00 -0.03 0.00 0.00 56.01 55.35 1qai n LEU 115 Cb 0.46 -0.11 0.09 0.00 -2.33 0.00 0.00 43.42 41.53 1qai n LEU 115 CO 0.51 0.36 0.70 0.03 -1.33 0.00 0.00 177.39 177.66 1qai h ARG 116 N 2.32 -0.01 0.00 3.23 3.08 -1.90 0.52 114.38 121.62 1qai h ARG 116 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1qai h ARG 116 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 1qai h ARG 116 CO 0.00 -0.01 -0.10 0.93 -1.07 0.00 0.00 179.97 179.72 1qai h GLU 117 N -0.01 0.00 0.21 0.04 4.39 -2.00 -0.44 114.58 116.77 1qai h GLU 117 Ca 0.37 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.78 1qai h GLU 117 Cb 0.58 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.26 1qai h GLU 117 CO -0.81 0.10 -1.31 0.28 -1.16 0.00 0.00 179.01 176.11 1qai h VAL 118 N 0.00 1.31 -0.40 3.13 2.07 -0.68 -3.28 116.25 118.39 1qai h VAL 118 Ca -0.00 -2.62 0.02 0.00 0.82 0.00 0.00 66.70 64.91 1qai h VAL 118 Cb 0.22 3.06 -0.02 0.00 -1.52 0.00 0.00 31.29 33.03 1qai h VAL 118 CO 0.01 0.78 0.27 0.78 0.02 0.00 0.00 177.57 179.43 1qai h ASN 119 N -0.03 0.42 -0.61 0.57 2.35 0.69 -2.31 115.58 116.66 1qai h ASN 119 Ca -0.23 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.44 1qai h ASN 119 Cb 2.00 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 40.24 1qai h ASN 119 CO 0.22 0.30 0.12 0.11 -1.65 0.00 0.00 177.43 176.53 1qai h LYS 120 N 0.49 1.00 -0.01 0.81 1.57 -1.19 -2.99 116.57 116.27 1qai h LYS 120 Ca 0.15 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1qai h LYS 120 Cb 0.02 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1qai h LYS 120 CO -0.04 0.93 -0.02 0.54 -0.57 0.00 0.00 179.45 180.30 1qai n ARG 121 N -4.30 1.28 -3.79 3.15 1.74 -0.91 -4.85 116.66 108.98 1qai n ARG 121 Ca 0.03 -0.52 -0.36 0.00 -0.77 0.00 0.00 57.85 56.24 1qai n ARG 121 Cb 0.27 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 30.15 1qai n ARG 121 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1qai s VAL 122 N -2.08 5.44 0.29 1.55 1.01 -0.96 -1.30 120.40 124.35 1qai s VAL 122 Ca 0.40 0.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.31 1qai s VAL 122 Cb 0.21 -3.45 -0.12 0.00 0.00 0.00 0.00 36.38 33.02 1qai s VAL 122 CO 0.37 0.53 1.45 1.21 0.00 0.00 0.00 175.10 178.66 1qai n GLU 123 N 2.76 2.32 -2.25 2.72 2.13 -0.63 -4.71 120.64 122.98 1qai n GLU 123 Ca -0.18 0.82 -0.27 0.00 0.66 0.00 0.00 57.16 58.20 1qai n GLU 123 Cb 0.53 -2.51 0.04 0.00 0.27 0.00 0.00 31.44 29.78 1qai n GLU 123 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1qai s ASP 124 N 0.19 5.34 0.05 4.31 1.11 -1.26 -4.89 116.67 121.52 1qai s ASP 124 Ca 0.63 0.71 0.04 0.00 0.18 0.00 0.00 52.55 54.11 1qai s ASP 124 Cb -0.57 -1.57 -0.02 0.00 1.07 0.00 0.00 42.92 41.83 1qai s ASP 124 CO 0.53 -1.27 -0.11 0.27 1.18 0.00 0.00 175.17 175.78 1qai s ILE 125 N -3.13 0.83 -0.14 0.77 -4.36 -1.26 -5.14 121.20 108.77 1qai s ILE 125 Ca 0.56 -1.08 -0.04 0.00 -0.26 0.00 0.00 60.65 59.83 1qai s ILE 125 Cb -0.11 -0.82 -0.03 0.00 1.25 0.00 0.00 42.46 42.75 1qai s ILE 125 CO 0.46 -0.22 -0.02 -1.00 0.24 0.00 0.00 174.94 174.40 1qai s HIS 126 N -1.16 3.08 1.10 1.37 3.76 -1.26 -5.10 115.29 117.08 1qai s HIS 126 Ca -0.04 -0.15 -0.15 0.00 -0.15 0.00 0.00 55.06 54.57 1qai s HIS 126 Cb -0.09 -1.94 0.24 0.00 1.11 0.00 0.00 32.58 31.90 1qai s HIS 126 CO 0.01 0.09 0.54 -2.30 -0.85 0.00 0.00 174.74 172.23 1qai n PRO 127 N 3.25 -2.30 0.00 8.40 -0.02 -1.26 -5.02 135.00 138.04 1qai n PRO 127 Ca -0.17 -0.90 0.00 0.00 -2.02 0.00 0.00 63.50 60.41 1qai n PRO 127 Cb 0.53 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 1qai n PRO 127 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1qai n THR 128 N -4.76 0.00 -3.97 3.45 -1.04 -1.26 -5.14 114.28 101.56 1qai n THR 128 Ca 0.09 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.73 1qai n THR 128 Cb 0.37 0.04 -0.07 0.00 -1.82 0.00 0.00 70.33 68.85 1qai n THR 128 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1qai s VAL 129 N 0.00 5.25 -0.47 12.58 -7.23 -1.26 -5.04 120.40 124.23 1qai s VAL 129 Ca 0.00 0.11 -0.27 0.00 -1.81 0.00 0.00 61.98 60.02 1qai s VAL 129 Cb 0.00 -3.28 -0.05 0.00 0.56 0.00 0.00 36.38 33.61 1qai s VAL 129 CO 0.00 0.60 2.23 -2.84 -0.31 0.00 0.00 175.10 174.79 1qai s PRO 130 N -0.90 2.43 -0.19 4.82 0.02 -1.26 -4.82 135.00 135.10 1qai s PRO 130 Ca 0.14 1.33 0.04 0.00 0.02 0.00 0.00 61.00 62.54 1qai s PRO 130 Cb -0.12 -4.49 -0.14 0.00 0.02 0.00 0.00 34.50 29.77 1qai s PRO 130 CO 0.03 -2.92 -0.12 0.09 -0.33 0.00 0.00 177.00 173.76 1qai n ASN 131 N 14.34 2.18 -1.84 2.53 5.03 -1.26 -4.93 115.26 131.31 1qai n ASN 131 Ca 0.32 -0.08 -0.24 0.00 0.87 0.00 0.00 54.58 55.45 1qai n ASN 131 Cb 0.52 -0.03 -0.03 0.00 -1.02 0.00 0.00 39.78 39.22 1qai n ASN 131 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 1qai n PRO 132 N -2.95 0.00 -0.44 3.52 -0.02 -1.26 -4.55 135.00 129.30 1qai n PRO 132 Ca -0.32 0.00 0.37 0.00 -2.02 0.00 0.00 63.50 61.53 1qai n PRO 132 Cb 0.90 -0.59 0.62 0.00 -0.02 0.00 0.00 33.50 34.41 1qai n PRO 132 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1qai n TYR 133 N 0.53 0.60 0.50 6.00 4.19 -1.26 0.15 117.16 127.87 1qai n TYR 133 Ca 0.08 0.61 0.01 0.00 3.31 0.00 0.00 57.90 61.91 1qai n TYR 133 Cb 0.04 -1.03 0.07 0.00 0.49 0.00 0.00 39.34 38.91 1qai n TYR 133 CO 0.00 0.00 0.00 -1.71 0.91 0.00 0.00 176.86 176.06 1qai n ASN 134 N -4.47 0.00 -0.10 2.98 2.85 -1.26 -2.15 115.26 113.11 1qai n ASN 134 Ca 0.37 -0.42 -0.19 0.00 -0.11 0.00 0.00 54.58 54.22 1qai n ASN 134 Cb 1.44 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 42.38 1qai n ASN 134 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1qai n LEU 135 N -0.65 1.67 -0.19 1.20 -0.00 0.40 -3.90 117.00 115.54 1qai n LEU 135 Ca 0.02 0.17 -0.08 0.00 -0.00 0.00 0.00 56.01 56.12 1qai n LEU 135 Cb 0.01 -0.58 0.02 0.00 -0.00 0.00 0.00 43.42 42.86 1qai n LEU 135 CO 0.01 0.48 0.96 0.25 -0.00 0.00 0.00 177.39 179.09 1qai h LEU 136 N -0.56 0.74 -0.16 -1.96 5.85 -1.55 -0.13 115.31 117.53 1qai h LEU 136 Ca -0.47 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.07 1qai h LEU 136 Cb 1.47 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1qai h LEU 136 CO -0.25 0.71 0.00 -1.20 -0.34 0.00 0.00 178.44 177.36 1qai n SER 137 N -4.52 0.18 0.00 1.25 7.64 -0.94 -1.95 113.62 115.29 1qai n SER 137 Ca 0.02 0.54 0.07 0.00 1.01 0.00 0.00 58.87 60.52 1qai n SER 137 Cb 0.16 -0.58 0.44 0.00 -1.01 0.00 0.00 64.21 63.23 1qai n SER 137 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qai n GLY 138 N 0.15 -0.81 3.61 0.23 0.00 -0.06 -4.72 105.19 103.59 1qai n GLY 138 Ca 0.03 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 1qai n GLY 138 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qai s LEU 139 N -1.58 3.71 0.17 0.99 1.98 -0.82 -4.97 118.68 118.16 1qai s LEU 139 Ca 0.22 0.93 -0.34 0.00 -2.89 0.00 0.00 54.13 52.05 1qai s LEU 139 Cb 0.10 -3.54 -0.14 0.00 0.66 0.00 0.00 46.19 43.27 1qai s LEU 139 CO 0.17 -1.27 1.57 -2.65 -1.89 0.00 0.00 176.35 172.28 1qai n PRO 140 N 7.74 2.17 0.00 0.98 -0.02 -1.26 -4.84 135.00 139.77 1qai n PRO 140 Ca 0.15 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 1qai n PRO 140 Cb 0.48 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1qai n PRO 140 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1qai n PRO 141 N 3.32 0.00 0.05 0.52 -0.02 -1.26 -1.67 135.00 135.95 1qai n PRO 141 Ca 0.16 0.35 -0.02 0.00 -2.02 0.00 0.00 63.50 61.97 1qai n PRO 141 Cb 0.29 -1.50 0.25 0.00 -0.02 0.00 0.00 33.50 32.52 1qai n PRO 141 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1qai h SER 142 N 0.00 0.37 -3.54 2.55 4.64 -1.96 -3.36 113.55 112.26 1qai h SER 142 Ca 0.00 -0.12 -0.77 0.00 -0.47 0.00 0.00 61.79 60.42 1qai h SER 142 Cb 0.00 -0.10 -0.25 0.00 -0.31 0.00 0.00 62.40 61.74 1qai h SER 142 CO 0.00 0.64 0.05 -1.00 -0.87 0.00 0.00 176.83 175.65 1qai s HIS 143 N -4.47 3.58 -1.46 4.77 3.76 -0.67 -4.56 115.29 116.25 1qai s HIS 143 Ca -0.06 -1.75 0.12 0.00 -0.15 0.00 0.00 55.06 53.22 1qai s HIS 143 Cb 0.14 -3.84 0.14 0.00 1.11 0.00 0.00 32.58 30.13 1qai s HIS 143 CO 0.77 -1.03 0.96 1.04 -0.85 0.00 0.00 174.74 175.63 1qai n GLN 144 N 4.50 1.10 -3.38 1.40 6.02 -1.22 -4.74 117.38 121.06 1qai n GLN 144 Ca 0.06 -1.40 -0.44 0.00 -0.01 0.00 0.00 57.00 55.21 1qai n GLN 144 Cb 0.45 -1.25 -0.07 0.00 1.02 0.00 0.00 30.24 30.39 1qai n GLN 144 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1qai s TRP 145 N -1.03 3.24 0.22 1.08 0.52 -1.23 -4.61 118.94 117.13 1qai s TRP 145 Ca 0.17 -0.92 0.03 0.00 0.02 0.00 0.00 56.10 55.39 1qai s TRP 145 Cb 0.11 -3.20 0.03 0.00 -1.15 0.00 0.00 33.47 29.25 1qai s TRP 145 CO 0.16 -0.81 0.24 0.66 0.02 0.00 0.00 176.95 177.21 1qai n TYR 146 N 5.24 -1.90 -3.26 -1.98 4.01 -0.95 -1.83 117.16 116.49 1qai n TYR 146 Ca -0.12 -0.88 0.03 0.00 -0.16 0.00 0.00 57.90 56.77 1qai n TYR 146 Cb 0.44 -0.20 -0.02 0.00 -0.31 0.00 0.00 39.34 39.25 1qai n TYR 146 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1qai s THR 147 N -0.76 -0.63 -0.20 -0.72 2.01 -0.31 -2.55 115.64 112.48 1qai s THR 147 Ca 0.18 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 62.13 1qai s THR 147 Cb -0.01 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.47 1qai s THR 147 CO 0.11 0.00 0.00 -0.69 -0.69 0.00 0.00 174.62 173.36 1qai s VAL 148 N 2.79 3.98 0.03 3.82 1.01 -0.55 -0.72 120.40 130.75 1qai s VAL 148 Ca 0.05 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.77 1qai s VAL 148 Cb -0.11 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 1qai s VAL 148 CO -0.16 0.43 -0.14 -0.76 0.00 0.00 0.00 175.10 174.47 1qai s LEU 149 N 0.97 2.14 -0.10 3.92 1.43 -0.23 -0.60 118.68 126.21 1qai s LEU 149 Ca 0.02 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1qai s LEU 149 Cb -0.14 -0.60 0.02 0.00 0.03 0.00 0.00 46.19 45.50 1qai s LEU 149 CO 0.02 0.05 -0.11 1.51 0.23 0.00 0.00 176.35 178.05 1qai s ASP 150 N -0.97 2.11 -0.11 2.29 -4.77 -1.26 0.70 116.67 114.67 1qai s ASP 150 Ca 0.02 -0.33 -0.30 0.00 -3.30 0.00 0.00 52.55 48.64 1qai s ASP 150 Cb -0.07 -0.89 -0.02 0.00 -1.09 0.00 0.00 42.92 40.84 1qai s ASP 150 CO 0.01 -0.05 1.19 -0.76 0.70 0.00 0.00 175.17 176.26 1qai s LEU 151 N 1.25 4.23 0.25 2.11 1.43 0.08 -1.88 118.68 126.15 1qai s LEU 151 Ca -0.03 1.71 -0.30 0.00 -1.03 0.00 0.00 54.13 54.49 1qai s LEU 151 Cb -0.14 -3.55 -0.09 0.00 0.03 0.00 0.00 46.19 42.44 1qai s LEU 151 CO -0.04 -0.64 1.05 -0.75 0.23 0.00 0.00 176.35 176.20 1qai s LYS 152 N 2.71 4.70 -1.54 1.70 2.20 -0.88 -3.71 119.74 124.92 1qai s LYS 152 Ca 0.54 1.70 -0.05 0.00 -0.36 0.00 0.00 55.97 57.80 1qai s LYS 152 Cb -0.22 -3.23 0.04 0.00 -1.51 0.00 0.00 37.83 32.91 1qai s LYS 152 CO 0.18 0.29 0.34 -0.25 -0.36 0.00 0.00 175.35 175.55 1qai n ASP 153 N 1.43 -0.44 0.03 1.43 8.00 -1.26 -4.71 116.55 121.03 1qai n ASP 153 Ca -0.01 -1.12 -0.10 0.00 0.71 0.00 0.00 54.79 54.26 1qai n ASP 153 Cb 0.46 -2.37 -0.04 0.00 -0.02 0.00 0.00 41.12 39.15 1qai n ASP 153 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qai h ALA 154 N 0.84 -0.16 -0.95 2.24 0.00 -1.93 -2.48 119.26 116.81 1qai h ALA 154 Ca -0.63 0.02 0.14 0.00 0.00 0.00 0.00 54.91 54.43 1qai h ALA 154 Cb 1.39 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 19.40 1qai h ALA 154 CO 0.70 -0.64 0.61 0.74 0.00 0.00 0.00 179.25 180.65 1qai h PHE 155 N -0.25 1.00 0.00 0.00 0.04 -1.89 0.11 116.94 115.95 1qai h PHE 155 Ca 0.07 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1qai h PHE 155 Cb 0.34 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.18 1qai h PHE 155 CO -0.24 0.37 0.00 1.19 -0.60 0.00 0.00 178.31 179.03 1qai n PHE 156 N -4.60 0.15 0.23 -0.55 3.72 -0.94 -1.67 117.46 113.79 1qai n PHE 156 Ca 0.19 0.06 0.12 0.00 -0.05 0.00 0.00 57.45 57.77 1qai n PHE 156 Cb 0.42 -0.60 0.38 0.00 -0.94 0.00 0.00 39.48 38.74 1qai n PHE 156 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qai s LEU 158 N -6.33 4.20 0.36 0.00 1.43 -0.67 -1.26 118.68 116.41 1qai s LEU 158 Ca 0.04 0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 53.44 1qai s LEU 158 Cb 0.07 -2.37 -0.09 0.00 0.03 0.00 0.00 46.19 43.83 1qai s LEU 158 CO 0.63 0.05 0.78 -0.13 0.23 0.00 0.00 176.35 177.90 1qai s ARG 159 N 0.79 3.99 -0.19 1.70 0.52 -1.26 -0.67 118.95 123.83 1qai s ARG 159 Ca 0.16 0.71 -0.07 0.00 -0.52 0.00 0.00 55.73 56.00 1qai s ARG 159 Cb -0.13 -2.38 -0.04 0.00 0.52 0.00 0.00 34.95 32.92 1qai s ARG 159 CO 0.05 0.08 0.06 -0.51 0.02 0.00 0.00 175.30 175.01 1qai s LEU 160 N -3.19 3.76 0.33 2.53 1.43 -0.56 -0.24 118.68 122.75 1qai s LEU 160 Ca 0.55 0.04 -0.29 0.00 -1.03 0.00 0.00 54.13 53.40 1qai s LEU 160 Cb -0.10 -1.96 -0.11 0.00 0.03 0.00 0.00 46.19 44.06 1qai s LEU 160 CO 0.20 0.15 1.42 -2.28 0.23 0.00 0.00 176.35 176.06 1qai s HIS 161 N 0.53 2.84 0.60 0.29 5.65 0.58 -4.71 115.29 121.08 1qai s HIS 161 Ca 0.03 1.21 0.29 0.00 0.25 0.00 0.00 55.06 56.84 1qai s HIS 161 Cb -0.13 -3.86 1.47 0.00 -1.18 0.00 0.00 32.58 28.88 1qai s HIS 161 CO 0.01 -2.55 1.87 -1.00 -0.65 0.00 0.00 174.74 172.42 1qai h PRO 162 N 3.60 0.00 0.00 2.88 0.13 -1.97 0.13 132.00 136.78 1qai h PRO 162 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1qai h PRO 162 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1qai h PRO 162 CO 0.68 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.70 1qai n THR 163 N -3.58 0.68 0.58 1.56 -2.24 -1.26 -2.86 114.28 107.16 1qai n THR 163 Ca 0.07 0.05 0.06 0.00 -2.27 0.00 0.00 64.05 61.97 1qai n THR 163 Cb 0.66 -0.88 -0.01 0.00 -2.10 0.00 0.00 70.33 67.99 1qai n THR 163 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1qai n SER 164 N -2.03 1.29 -0.16 3.42 7.64 0.02 -4.61 113.62 119.18 1qai n SER 164 Ca 0.04 -1.15 -0.10 0.00 1.01 0.00 0.00 58.87 58.67 1qai n SER 164 Cb 0.29 0.55 -0.00 0.00 -1.01 0.00 0.00 64.21 64.04 1qai n SER 164 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1qai h GLN 165 N 1.23 0.85 -0.07 1.43 4.20 -1.36 -2.98 115.11 118.41 1qai h GLN 165 Ca 0.00 -0.28 0.02 0.00 0.06 0.00 0.00 58.65 58.45 1qai h GLN 165 Cb 0.42 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 1qai h GLN 165 CO 0.00 0.91 0.18 -1.35 -0.67 0.00 0.00 178.83 177.90 1qai h PRO 166 N 0.70 0.00 0.00 1.46 0.11 -1.82 -2.06 132.00 130.40 1qai h PRO 166 Ca 0.13 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.21 1qai h PRO 166 Cb 0.53 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.64 1qai h PRO 166 CO 0.03 0.00 -0.17 1.25 -0.21 0.00 0.00 178.00 178.90 1qai h LEU 167 N 0.00 0.00 -2.95 2.35 5.85 -1.84 -3.05 115.31 115.67 1qai h LEU 167 Ca 0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1qai h LEU 167 Cb 0.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1qai h LEU 167 CO -0.00 0.17 0.00 0.49 -0.34 0.00 0.00 178.44 178.76 1qai n PHE 168 N -4.00 0.85 -1.67 1.25 3.72 -0.77 -4.75 117.46 112.08 1qai n PHE 168 Ca -0.02 -0.56 -0.38 0.00 -0.05 0.00 0.00 57.45 56.43 1qai n PHE 168 Cb 0.25 -0.10 0.05 0.00 -0.94 0.00 0.00 39.48 38.74 1qai n PHE 168 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qai n ALA 169 N 0.80 0.71 -2.72 4.37 0.00 -1.15 -4.63 120.51 117.89 1qai n ALA 169 Ca 0.19 0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.58 1qai n ALA 169 Cb 0.62 -2.21 -0.08 0.00 0.00 0.00 0.00 19.45 17.78 1qai n ALA 169 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1qai s PHE 170 N -1.41 0.09 0.27 0.00 -0.12 -0.20 -1.99 117.98 114.61 1qai s PHE 170 Ca 0.75 -0.41 -0.06 0.00 -0.05 0.00 0.00 56.93 57.16 1qai s PHE 170 Cb -0.42 -0.04 -0.06 0.00 -0.63 0.00 0.00 43.02 41.88 1qai s PHE 170 CO 0.47 -0.49 0.54 -1.21 -0.05 0.00 0.00 175.22 174.48 1qai s GLU 171 N -3.19 3.67 -0.30 1.99 2.02 -1.26 -1.23 118.70 120.39 1qai s GLU 171 Ca -0.00 0.06 -0.01 0.00 0.02 0.00 0.00 54.97 55.03 1qai s GLU 171 Cb 0.02 -2.66 0.19 0.00 0.10 0.00 0.00 34.13 31.78 1qai s GLU 171 CO -0.07 0.25 0.70 -0.46 0.02 0.00 0.00 175.26 175.69 1qai s TRP 172 N -2.01 -1.45 -0.11 1.61 -0.11 -1.22 -4.91 118.94 110.74 1qai s TRP 172 Ca 0.44 1.20 -0.04 0.00 1.22 0.00 0.00 56.10 58.92 1qai s TRP 172 Cb -0.11 0.38 -0.04 0.00 -1.50 0.00 0.00 33.47 32.21 1qai s TRP 172 CO 0.28 -0.82 0.05 1.03 -4.62 0.00 0.00 176.95 172.88 1qai s ARG 173 N 2.87 3.31 -0.30 5.86 3.00 -1.26 -4.03 118.95 128.40 1qai s ARG 173 Ca 0.15 -0.31 -0.20 0.00 0.00 0.00 0.00 55.73 55.37 1qai s ARG 173 Cb -0.11 -2.99 0.20 0.00 0.00 0.00 0.00 34.95 32.05 1qai s ARG 173 CO -0.22 0.64 1.33 0.34 0.00 0.00 0.00 175.30 177.39 1qai s ASP 174 N -0.69 -0.00 0.16 0.23 2.15 -1.26 -5.08 116.67 112.18 1qai s ASP 174 Ca 0.12 0.00 -0.21 0.00 0.43 0.00 0.00 52.55 52.89 1qai s ASP 174 Cb -0.12 1.00 0.06 0.00 -0.30 0.00 0.00 42.92 43.57 1qai s ASP 174 CO 0.02 -0.00 1.63 -0.65 -0.17 0.00 0.00 175.17 176.00 1qai h PRO 175 N 6.79 -0.19 -0.83 4.34 0.11 -1.94 -2.82 132.00 137.46 1qai h PRO 175 Ca -0.14 0.01 0.15 0.00 0.11 0.00 0.00 66.00 66.13 1qai h PRO 175 Cb 1.13 0.04 -0.10 0.00 0.11 0.00 0.00 31.00 32.19 1qai h PRO 175 CO 0.08 -0.12 0.40 0.93 -0.21 0.00 0.00 178.00 179.08 1qai h GLU 176 N -0.19 0.54 -0.12 1.05 3.07 -1.98 -0.44 114.58 116.51 1qai h GLU 176 Ca 0.17 -0.03 0.04 0.00 -0.50 0.00 0.00 59.36 59.03 1qai h GLU 176 Cb 0.46 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1qai h GLU 176 CO -0.45 0.36 0.51 1.98 -1.40 0.00 0.00 179.01 180.01 1qai h MET 177 N 0.56 0.00 0.00 2.33 4.05 -1.92 -3.45 114.93 116.50 1qai h MET 177 Ca 0.46 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.88 1qai h MET 177 Cb 0.69 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.49 1qai h MET 177 CO -0.39 0.00 0.00 0.41 0.23 0.00 0.00 176.91 177.16 1qai n GLY 178 N -1.34 3.18 3.25 1.39 0.00 -0.17 -5.03 105.19 106.47 1qai n GLY 178 Ca 0.01 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 45.01 1qai n GLY 178 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1qai s ILE 179 N 0.00 0.59 -0.20 -0.61 -4.36 -1.26 -4.98 121.20 110.38 1qai s ILE 179 Ca 0.00 -1.98 -0.01 0.00 -0.26 0.00 0.00 60.65 58.40 1qai s ILE 179 Cb 0.00 -2.24 0.06 0.00 1.25 0.00 0.00 42.46 41.52 1qai s ILE 179 CO 0.00 -0.35 -0.02 -0.55 0.24 0.00 0.00 174.94 174.26 1qai s SER 180 N -3.20 3.23 0.00 4.36 0.15 -1.26 -4.48 113.70 112.50 1qai s SER 180 Ca 0.28 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 56.01 1qai s SER 180 Cb 0.07 -0.88 0.00 0.00 -1.71 0.00 0.00 66.02 63.50 1qai s SER 180 CO 0.06 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1qai n GLY 181 N 4.87 0.11 2.98 9.45 0.00 -1.26 -5.01 105.19 116.33 1qai n GLY 181 Ca -0.11 0.49 -0.12 0.00 0.00 0.00 0.00 46.02 46.28 1qai n GLY 181 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qai s GLN 182 N 1.68 0.34 0.30 1.61 -0.21 -1.24 -3.42 119.66 118.72 1qai s GLN 182 Ca 0.00 -0.44 0.11 0.00 0.02 0.00 0.00 55.36 55.04 1qai s GLN 182 Cb 0.00 -0.14 -0.06 0.00 1.00 0.00 0.00 33.01 33.81 1qai s GLN 182 CO 0.00 0.02 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.53 1qai s LEU 183 N -0.92 2.64 0.33 2.90 1.43 -0.37 -0.33 118.68 124.36 1qai s LEU 183 Ca -0.07 -1.10 -0.13 0.00 -1.03 0.00 0.00 54.13 51.79 1qai s LEU 183 Cb -0.06 -1.03 0.03 0.00 0.03 0.00 0.00 46.19 45.15 1qai s LEU 183 CO -0.00 -0.07 0.65 0.28 0.23 0.00 0.00 176.35 177.44 1qai s THR 184 N -2.58 0.00 0.11 5.49 -1.32 -0.09 -1.04 115.64 116.22 1qai s THR 184 Ca 0.31 -1.20 0.01 0.00 -1.21 0.00 0.00 61.69 59.59 1qai s THR 184 Cb -0.02 -2.54 -0.04 0.00 -1.51 0.00 0.00 72.50 68.40 1qai s THR 184 CO 0.15 0.00 0.26 0.26 -2.21 0.00 0.00 174.62 173.08 1qai s TRP 185 N -3.09 3.50 -0.15 9.09 0.52 -1.26 -1.45 118.94 126.11 1qai s TRP 185 Ca 0.19 0.22 0.09 0.00 0.02 0.00 0.00 56.10 56.62 1qai s TRP 185 Cb -0.03 -1.74 0.17 0.00 -1.15 0.00 0.00 33.47 30.72 1qai s TRP 185 CO 0.12 0.54 1.11 0.25 0.02 0.00 0.00 176.95 178.99 1qai n THR 186 N -0.12 1.42 -4.07 2.01 -2.24 -0.72 -4.65 114.28 105.91 1qai n THR 186 Ca -0.06 -1.53 -0.07 0.00 -2.27 0.00 0.00 64.05 60.12 1qai n THR 186 Cb 0.52 0.17 -0.10 0.00 -2.10 0.00 0.00 70.33 68.83 1qai n THR 186 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1qai s ARG 187 N -1.83 0.58 -0.10 -0.78 1.81 -1.26 -1.49 118.95 115.89 1qai s ARG 187 Ca 0.17 -1.14 -0.34 0.00 -1.72 0.00 0.00 55.73 52.69 1qai s ARG 187 Cb 0.14 0.20 -0.12 0.00 -0.45 0.00 0.00 34.95 34.72 1qai s ARG 187 CO 0.03 -0.11 1.87 1.28 -0.68 0.00 0.00 175.30 177.70 1qai n LEU 188 N 0.27 3.40 -4.81 2.53 4.77 0.16 -4.69 117.00 118.64 1qai n LEU 188 Ca -0.15 0.98 -0.34 0.00 -0.03 0.00 0.00 56.01 56.46 1qai n LEU 188 Cb 0.60 -1.36 -0.07 0.00 -2.33 0.00 0.00 43.42 40.27 1qai n LEU 188 CO 0.27 -0.07 0.63 -2.84 -1.33 0.00 0.00 177.39 174.04 1qai s PRO 189 N 4.03 4.34 0.43 3.23 0.02 -1.26 -4.06 135.00 141.74 1qai s PRO 189 Ca 0.93 1.15 -0.22 0.00 0.02 0.00 0.00 61.00 62.88 1qai s PRO 189 Cb -0.71 -2.44 -0.09 0.00 0.02 0.00 0.00 34.50 31.28 1qai s PRO 189 CO 0.52 0.11 1.03 -1.14 -0.33 0.00 0.00 177.00 177.19 1qai s GLN 190 N -2.72 4.04 0.00 5.54 2.00 -1.26 -3.20 119.66 124.06 1qai s GLN 190 Ca 0.57 1.39 0.00 0.00 -2.00 0.00 0.00 55.36 55.32 1qai s GLN 190 Cb -0.13 -2.32 0.00 0.00 0.80 0.00 0.00 33.01 31.36 1qai s GLN 190 CO 0.17 -0.23 0.00 0.41 -0.50 0.00 0.00 175.29 175.15 1qai n GLY 191 N -0.02 0.80 3.56 2.59 0.00 -1.26 -4.87 105.19 106.00 1qai n GLY 191 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1qai n GLY 191 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1qai s PHE 192 N -3.12 3.22 0.27 1.61 5.36 -1.19 -4.47 117.98 119.66 1qai s PHE 192 Ca 0.00 0.06 0.10 0.00 -0.96 0.00 0.00 56.93 56.13 1qai s PHE 192 Cb 0.00 -2.61 0.85 0.00 -0.34 0.00 0.00 43.02 40.92 1qai s PHE 192 CO 0.00 -0.36 1.23 0.36 -1.46 0.00 0.00 175.22 174.99 1qai n LYS 193 N 5.33 -0.05 0.00 10.12 2.85 -1.26 -1.56 118.16 133.58 1qai n LYS 193 Ca -0.10 1.12 0.12 0.00 -1.05 0.00 0.00 58.31 58.41 1qai n LYS 193 Cb 0.50 -1.91 0.28 0.00 -0.65 0.00 0.00 35.03 33.25 1qai n LYS 193 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1qai n ASN 194 N -4.92 0.76 -0.18 -5.58 3.02 -1.26 -4.43 115.26 102.67 1qai n ASN 194 Ca 0.25 -0.56 -0.01 0.00 -0.03 0.00 0.00 54.58 54.23 1qai n ASN 194 Cb 0.83 0.24 0.08 0.00 -0.61 0.00 0.00 39.78 40.32 1qai n ASN 194 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1qai h SER 195 N 0.54 -0.16 -0.41 6.41 0.02 -1.60 0.17 113.55 118.52 1qai h SER 195 Ca 0.00 0.12 0.07 0.00 -0.84 0.00 0.00 61.79 61.14 1qai h SER 195 Cb 0.51 0.21 -0.06 0.00 0.14 0.00 0.00 62.40 63.20 1qai h SER 195 CO 0.00 -0.06 0.07 -0.65 -1.14 0.00 0.00 176.83 175.05 1qai h PRO 196 N 0.16 0.19 -0.21 3.45 0.11 -1.80 0.29 132.00 134.18 1qai h PRO 196 Ca 0.29 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.32 1qai h PRO 196 Cb 0.44 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 1qai h PRO 196 CO -0.44 0.13 -0.10 1.15 -0.21 0.00 0.00 178.00 178.52 1qai h THR 197 N 0.20 1.30 -0.82 -1.15 2.02 -1.68 -1.87 112.91 110.90 1qai h THR 197 Ca 0.20 -1.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.21 1qai h THR 197 Cb 0.25 1.62 -0.04 0.00 -1.74 0.00 0.00 68.15 68.24 1qai h THR 197 CO -0.27 0.36 0.49 -0.07 0.37 0.00 0.00 175.52 176.40 1qai h LEU 198 N 0.15 0.99 -0.29 2.58 3.38 -0.33 -1.15 115.31 120.64 1qai h LEU 198 Ca 0.05 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1qai h LEU 198 Cb 0.60 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1qai h LEU 198 CO 0.03 0.77 -0.04 0.15 0.09 0.00 0.00 178.44 179.43 1qai h PHE 199 N 1.13 0.60 -0.39 1.13 3.57 -0.42 -2.27 116.94 120.28 1qai h PHE 199 Ca 0.30 -0.12 0.03 0.00 3.53 0.00 0.00 57.97 61.71 1qai h PHE 199 Cb -0.04 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 1qai h PHE 199 CO -0.00 0.72 0.19 0.22 -2.23 0.00 0.00 178.31 177.20 1qai h ASP 200 N 0.31 0.27 -0.25 0.41 3.58 -1.05 0.19 116.42 119.88 1qai h ASP 200 Ca 0.08 0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.57 1qai h ASP 200 Cb 0.51 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.51 1qai h ASP 200 CO 0.02 0.19 0.11 -0.33 -2.88 0.00 0.00 179.24 176.36 1qai h GLU 201 N 0.38 0.23 -0.61 0.28 5.08 -1.18 -0.30 114.58 118.47 1qai h GLU 201 Ca 0.17 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.58 1qai h GLU 201 Cb 0.09 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 1qai h GLU 201 CO -0.13 0.15 0.31 0.00 -1.00 0.00 0.00 179.01 178.35 1qai h ALA 202 N 1.14 0.80 -0.02 3.43 0.00 -0.97 -1.48 119.26 122.16 1qai h ALA 202 Ca 0.10 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1qai h ALA 202 Cb 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1qai h ALA 202 CO -0.08 -0.04 -0.49 1.25 0.00 0.00 0.00 179.25 179.89 1qai h LEU 203 N 0.58 0.05 -0.25 0.00 5.85 -0.40 -1.50 115.31 119.63 1qai h LEU 203 Ca 0.28 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 1qai h LEU 203 Cb 0.20 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1qai h LEU 203 CO -0.19 0.54 -0.09 0.45 -0.34 0.00 0.00 178.44 178.81 1qai h HIS 204 N 0.04 0.58 -0.83 1.25 3.86 -0.48 -1.29 115.15 118.28 1qai h HIS 204 Ca -0.00 -0.13 -0.03 0.00 -1.16 0.00 0.00 60.37 59.04 1qai h HIS 204 Cb 0.89 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 29.18 1qai h HIS 204 CO 0.00 0.74 0.39 0.00 0.86 0.00 0.00 177.93 179.93 1qai h ARG 205 N 0.25 1.19 0.00 2.45 3.08 -1.07 -1.55 114.38 118.73 1qai h ARG 205 Ca 0.06 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 59.84 1qai h ARG 205 Cb 0.57 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1qai h ARG 205 CO 0.03 0.92 -0.44 -0.44 -1.07 0.00 0.00 179.97 178.96 1qai h ASP 206 N 1.18 0.00 0.04 7.04 3.32 -1.17 -3.22 116.42 123.61 1qai h ASP 206 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1qai h ASP 206 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1qai h ASP 206 CO -0.04 0.44 -0.51 0.18 -1.72 0.00 0.00 179.24 177.60 1qai n LEU 207 N -3.52 1.72 -0.13 1.55 4.77 -0.50 -4.43 117.00 116.45 1qai n LEU 207 Ca -0.00 -0.63 -0.04 0.00 -0.03 0.00 0.00 56.01 55.31 1qai n LEU 207 Cb 0.57 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.66 1qai n LEU 207 CO 0.38 0.33 0.81 0.00 -1.33 0.00 0.00 177.39 177.59 1qai h ALA 208 N 3.73 0.35 -0.56 -1.18 0.00 -1.29 -0.50 119.26 119.81 1qai h ALA 208 Ca 0.00 0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.15 1qai h ALA 208 Cb 0.68 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 1qai h ALA 208 CO 0.00 -0.42 0.18 -0.44 0.00 0.00 0.00 179.25 178.57 1qai h ASP 209 N 0.05 0.15 -0.69 0.00 5.19 -1.79 -1.61 116.42 117.72 1qai h ASP 209 Ca 0.21 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.70 1qai h ASP 209 Cb 0.32 0.08 -0.03 0.00 0.18 0.00 0.00 39.33 39.88 1qai h ASP 209 CO -0.40 0.10 0.43 0.15 -3.12 0.00 0.00 179.24 176.40 1qai h PHE 210 N 0.35 0.89 -0.84 4.55 3.04 -1.47 -1.32 116.94 122.14 1qai h PHE 210 Ca 0.28 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.24 1qai h PHE 210 Cb 0.35 -0.30 -0.04 0.00 2.56 0.00 0.00 35.95 38.53 1qai h PHE 210 CO -0.19 0.59 0.54 0.00 -2.02 0.00 0.00 178.31 177.23 1qai h ARG 211 N 0.94 1.11 -0.13 1.11 3.08 -0.22 -1.69 114.38 118.59 1qai h ARG 211 Ca 0.25 -0.07 -0.18 0.00 0.07 0.00 0.00 59.98 60.04 1qai h ARG 211 Cb -0.06 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 29.74 1qai h ARG 211 CO -0.05 0.75 -0.67 0.82 -1.07 0.00 0.00 179.97 179.75 1qai h ILE 212 N 1.14 1.34 0.00 2.04 5.03 -0.99 -2.93 117.51 123.14 1qai h ILE 212 Ca 0.31 -1.99 0.00 0.00 -0.12 0.00 0.00 64.86 63.05 1qai h ILE 212 Cb -0.11 1.97 0.00 0.00 -3.03 0.00 0.00 36.82 35.65 1qai h ILE 212 CO -0.06 0.61 0.00 1.56 -0.68 0.00 0.00 178.15 179.58 1qai h GLN 213 N 0.36 0.00 -2.03 2.37 4.20 -0.76 -3.32 115.11 115.93 1qai h GLN 213 Ca -0.02 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.15 1qai h GLN 213 Cb 1.24 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.62 1qai h GLN 213 CO 0.12 0.00 -1.07 0.72 -0.67 0.00 0.00 178.83 177.93 1qai n HIS 214 N -2.58 0.41 0.27 2.96 8.25 -0.68 -4.95 115.22 118.90 1qai n HIS 214 Ca 0.03 -3.73 0.12 0.00 -0.26 0.00 0.00 57.72 53.88 1qai n HIS 214 Cb 0.33 -0.40 0.76 0.00 1.12 0.00 0.00 29.99 31.79 1qai n HIS 214 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1qai h PRO 215 N 3.60 0.00 -0.04 -0.41 0.13 -1.62 -1.92 132.00 131.73 1qai h PRO 215 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1qai h PRO 215 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1qai h PRO 215 CO 0.53 0.07 0.00 -0.25 -0.23 0.00 0.00 178.00 178.11 1qai n ASP 216 N -3.95 0.52 -4.71 1.44 8.00 -1.26 -4.79 116.55 111.79 1qai n ASP 216 Ca -0.03 -1.40 -0.31 0.00 0.71 0.00 0.00 54.79 53.76 1qai n ASP 216 Cb 0.16 -0.02 -0.08 0.00 -0.02 0.00 0.00 41.12 41.15 1qai n ASP 216 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qai s LEU 217 N -1.71 3.60 -0.31 0.64 1.43 -0.72 -4.68 118.68 116.93 1qai s LEU 217 Ca 0.34 -0.04 -0.08 0.00 -1.03 0.00 0.00 54.13 53.32 1qai s LEU 217 Cb 0.17 -2.19 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1qai s LEU 217 CO 0.27 0.23 0.12 -0.63 0.23 0.00 0.00 176.35 176.57 1qai s ILE 218 N -1.22 4.31 -0.27 -0.59 1.01 -0.11 -4.99 121.20 119.34 1qai s ILE 218 Ca 0.24 -0.59 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 1qai s ILE 218 Cb -0.12 -3.23 0.04 0.00 0.01 0.00 0.00 42.46 39.16 1qai s ILE 218 CO 0.15 0.04 -0.05 -0.22 0.00 0.00 0.00 174.94 174.87 1qai s LEU 219 N 1.55 3.45 -0.08 2.97 2.96 -1.26 -1.16 118.68 127.11 1qai s LEU 219 Ca 0.03 -1.07 -0.02 0.00 -0.22 0.00 0.00 54.13 52.85 1qai s LEU 219 Cb -0.17 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 1qai s LEU 219 CO 0.05 -0.18 0.02 -0.76 -1.32 0.00 0.00 176.35 174.15 1qai s LEU 220 N 1.27 3.67 -0.08 -0.68 2.01 -0.53 -4.98 118.68 119.36 1qai s LEU 220 Ca -0.03 0.17 -0.06 0.00 0.01 0.00 0.00 54.13 54.23 1qai s LEU 220 Cb -0.18 -1.87 0.03 0.00 0.01 0.00 0.00 46.19 44.18 1qai s LEU 220 CO -0.03 0.37 0.20 0.00 1.01 0.00 0.00 176.35 177.90 1qai s GLN 221 N -0.96 0.19 -0.30 1.70 -2.07 -1.26 -0.92 119.66 116.04 1qai s GLN 221 Ca 0.14 0.36 -0.02 0.00 -1.82 0.00 0.00 55.36 54.02 1qai s GLN 221 Cb -0.11 -0.01 0.10 0.00 -1.09 0.00 0.00 33.01 31.90 1qai s GLN 221 CO 0.03 -0.09 0.12 -0.47 -1.32 0.00 0.00 175.29 173.57 1qai s TYR 222 N 0.63 0.89 0.00 9.60 5.04 -0.05 -4.98 117.35 128.47 1qai s TYR 222 Ca -0.04 -1.26 0.00 0.00 -2.44 0.00 0.00 57.07 53.32 1qai s TYR 222 Cb -0.06 -1.22 0.00 0.00 0.35 0.00 0.00 41.96 41.03 1qai s TYR 222 CO -0.03 -0.85 0.00 0.28 -1.34 0.00 0.00 175.55 173.61 1qai n VAL 223 N 5.01 0.00 -1.48 3.14 0.31 -1.26 -1.64 118.33 122.41 1qai n VAL 223 Ca -0.03 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.08 1qai n VAL 223 Cb 0.42 0.00 0.13 0.00 -0.91 0.00 0.00 33.84 33.47 1qai n VAL 223 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1qai n ASP 224 N 10.62 4.77 -3.97 4.52 5.75 -1.26 -4.72 116.55 132.26 1qai n ASP 224 Ca 0.00 -3.75 -0.30 0.00 -0.01 0.00 0.00 54.79 50.73 1qai n ASP 224 Cb 0.00 -0.73 -0.16 0.00 -1.03 0.00 0.00 41.12 39.20 1qai n ASP 224 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1qai s ASP 225 N -2.26 3.13 0.12 -1.12 1.01 -0.65 -0.74 116.67 116.15 1qai s ASP 225 Ca 0.55 -0.77 0.09 0.00 0.71 0.00 0.00 52.55 53.13 1qai s ASP 225 Cb 0.45 -1.13 -0.04 0.00 1.01 0.00 0.00 42.92 43.21 1qai s ASP 225 CO 0.03 -0.14 -0.17 -0.76 0.21 0.00 0.00 175.17 174.33 1qai s LEU 226 N 1.48 2.73 -0.06 1.23 1.02 0.22 -0.87 118.68 124.43 1qai s LEU 226 Ca 0.00 -0.55 -0.01 0.00 0.02 0.00 0.00 54.13 53.60 1qai s LEU 226 Cb -0.15 -1.57 0.03 0.00 0.02 0.00 0.00 46.19 44.51 1qai s LEU 226 CO -0.08 0.18 0.00 -0.22 0.02 0.00 0.00 176.35 176.24 1qai s LEU 227 N -2.16 0.73 -0.18 1.79 2.96 -0.10 -1.06 118.68 120.66 1qai s LEU 227 Ca 0.18 -0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 54.02 1qai s LEU 227 Cb -0.11 -0.37 -0.01 0.00 0.50 0.00 0.00 46.19 46.21 1qai s LEU 227 CO 0.11 -0.17 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.64 1qai s LEU 228 N 1.70 2.67 -0.06 -0.68 2.96 0.10 -1.46 118.68 123.91 1qai s LEU 228 Ca 0.00 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.52 1qai s LEU 228 Cb -0.13 -1.64 0.01 0.00 0.50 0.00 0.00 46.19 44.94 1qai s LEU 228 CO -0.04 0.05 -0.11 0.00 -1.32 0.00 0.00 176.35 174.94 1qai s ALA 229 N 1.02 1.15 0.41 5.97 0.00 -0.31 -1.16 121.76 128.83 1qai s ALA 229 Ca -0.01 -0.37 0.03 0.00 0.00 0.00 0.00 51.96 51.61 1qai s ALA 229 Cb -0.15 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1qai s ALA 229 CO -0.02 0.11 0.07 0.00 0.00 0.00 0.00 175.76 175.93 1qai s ALA 230 N 0.59 3.08 0.02 0.00 0.00 -0.76 -0.93 121.76 123.75 1qai s ALA 230 Ca -0.12 -1.36 -0.08 0.00 0.00 0.00 0.00 51.96 50.40 1qai s ALA 230 Cb -0.14 0.50 -0.31 0.00 0.00 0.00 0.00 23.12 23.17 1qai s ALA 230 CO 0.03 -0.23 0.93 1.79 0.00 0.00 0.00 175.76 178.28 1qai h THR 231 N 1.77 1.24 -1.74 0.00 1.35 -1.83 -3.22 112.91 110.47 1qai h THR 231 Ca -0.40 -2.79 -0.60 0.00 -0.55 0.00 0.00 66.41 62.07 1qai h THR 231 Cb 1.27 2.88 -0.12 0.00 -1.73 0.00 0.00 68.15 70.46 1qai h THR 231 CO 0.67 0.84 -0.59 -0.94 -0.25 0.00 0.00 175.52 175.25 1qai s SER 232 N -7.24 4.04 0.20 5.36 1.04 -1.26 -4.73 113.70 111.10 1qai s SER 232 Ca -0.09 -1.20 -0.01 0.00 0.48 0.00 0.00 55.95 55.13 1qai s SER 232 Cb 0.06 -0.44 0.14 0.00 0.10 0.00 0.00 66.02 65.88 1qai s SER 232 CO 0.89 -0.39 1.51 -0.08 0.98 0.00 0.00 173.24 176.14 1qai h GLU 233 N 1.74 0.46 -0.23 4.02 4.81 -1.96 -2.61 114.58 120.80 1qai h GLU 233 Ca -0.43 -0.31 -0.20 0.00 -0.13 0.00 0.00 59.36 58.29 1qai h GLU 233 Cb 1.25 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1qai h GLU 233 CO 0.74 0.92 -0.63 1.25 -0.73 0.00 0.00 179.01 180.56 1qai h LEU 234 N 0.35 0.94 -0.95 1.64 7.12 -1.99 -2.46 115.31 119.95 1qai h LEU 234 Ca -0.00 -0.54 -0.05 0.00 0.13 0.00 0.00 57.88 57.41 1qai h LEU 234 Cb 1.13 -0.27 -0.03 0.00 -0.53 0.00 0.00 40.66 40.96 1qai h LEU 234 CO 0.10 1.34 0.16 0.44 -0.13 0.00 0.00 178.44 180.36 1qai h ASP 235 N 0.61 0.86 -0.30 1.25 3.32 -1.97 -1.40 116.42 118.79 1qai h ASP 235 Ca -0.01 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 56.78 1qai h ASP 235 Cb 1.24 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 1qai h ASP 235 CO 0.13 0.83 -0.16 0.00 -1.72 0.00 0.00 179.24 178.32 1qai h GLN 237 N 0.67 0.98 -0.07 0.00 4.20 -0.95 0.28 115.11 120.22 1qai h GLN 237 Ca 0.11 -0.32 -0.24 0.00 0.06 0.00 0.00 58.65 58.25 1qai h GLN 237 Cb 0.65 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.36 1qai h GLN 237 CO 0.05 0.99 -0.91 1.96 -0.67 0.00 0.00 178.83 180.25 1qai h GLN 238 N 0.89 0.73 -0.10 1.46 1.08 -1.03 -2.28 115.11 115.86 1qai h GLN 238 Ca 0.15 -0.69 -0.12 0.00 -1.45 0.00 0.00 58.65 56.55 1qai h GLN 238 Cb 0.59 0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.18 1qai h GLN 238 CO 0.04 1.28 -0.46 0.78 -0.95 0.00 0.00 178.83 179.51 1qai h GLY 239 N 0.53 0.26 0.74 3.46 0.00 -0.16 -1.43 103.07 106.47 1qai h GLY 239 Ca -0.09 -0.26 -0.11 0.00 0.00 0.00 0.00 47.33 46.87 1qai h GLY 239 CO 0.18 0.24 -0.36 -0.84 0.00 0.00 0.00 176.54 175.76 1qai h THR 240 N 0.19 1.41 -0.58 4.70 2.02 -0.47 -1.06 112.91 119.12 1qai h THR 240 Ca 0.01 -1.74 0.03 0.00 0.77 0.00 0.00 66.41 65.48 1qai h THR 240 Cb 0.89 2.28 -0.04 0.00 -1.74 0.00 0.00 68.15 69.54 1qai h THR 240 CO 0.07 0.51 0.36 0.03 0.37 0.00 0.00 175.52 176.85 1qai h ARG 241 N -0.07 0.68 -0.57 6.66 3.08 -1.37 -0.47 114.38 122.32 1qai h ARG 241 Ca -0.02 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 1qai h ARG 241 Cb 1.01 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 1qai h ARG 241 CO 0.08 0.45 0.09 0.00 -1.07 0.00 0.00 179.97 179.52 1qai h ALA 242 N 1.25 1.09 -0.20 0.04 0.00 -1.25 -1.49 119.26 118.72 1qai h ALA 242 Ca 0.23 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1qai h ALA 242 Cb 0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1qai h ALA 242 CO -0.10 0.59 -0.11 1.25 0.00 0.00 0.00 179.25 180.88 1qai h LEU 243 N 0.86 0.44 -0.57 0.00 5.85 -0.58 -1.85 115.31 119.47 1qai h LEU 243 Ca 0.18 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1qai h LEU 243 Cb 0.38 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1qai h LEU 243 CO 0.01 0.77 0.36 -0.07 -0.34 0.00 0.00 178.44 179.17 1qai h LEU 244 N 0.11 0.66 -1.31 2.25 3.38 -0.98 -0.41 115.31 119.02 1qai h LEU 244 Ca 0.04 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1qai h LEU 244 Cb 0.61 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1qai h LEU 244 CO 0.03 0.50 -0.03 -0.61 0.09 0.00 0.00 178.44 178.42 1qai h GLN 245 N 0.76 0.42 -0.20 1.13 5.75 -1.23 -1.73 115.11 120.02 1qai h GLN 245 Ca 0.21 -0.09 -0.10 0.00 -0.15 0.00 0.00 58.65 58.52 1qai h GLN 245 Cb -0.06 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.43 1qai h GLN 245 CO -0.04 0.48 -0.27 1.15 -2.65 0.00 0.00 178.83 177.49 1qai h THR 246 N 0.41 1.33 -0.17 2.39 2.02 -0.64 -2.31 112.91 115.94 1qai h THR 246 Ca 0.09 -1.47 -0.08 0.00 0.77 0.00 0.00 66.41 65.72 1qai h THR 246 Cb 0.32 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 1qai h THR 246 CO 0.01 0.45 -0.23 -0.07 0.37 0.00 0.00 175.52 176.05 1qai h LEU 247 N 0.20 0.31 -0.22 2.58 3.38 -0.86 -1.59 115.31 119.10 1qai h LEU 247 Ca 0.02 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1qai h LEU 247 Cb 0.84 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1qai h LEU 247 CO 0.06 0.55 -0.05 1.23 0.09 0.00 0.00 178.44 180.33 1qai h GLY 248 N 0.97 0.46 2.00 0.83 0.00 -1.28 -0.25 103.07 105.80 1qai h GLY 248 Ca 0.05 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1qai h GLY 248 CO 0.04 0.34 -0.12 3.43 0.00 0.00 0.00 176.54 180.24 1qai h ASN 249 N 0.15 0.00 1.27 0.19 -0.26 -1.19 -1.79 115.58 113.96 1qai h ASN 249 Ca 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 1qai h ASN 249 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.76 1qai h ASN 249 CO 0.02 0.12 -0.25 -0.07 -1.06 0.00 0.00 177.43 176.19 1qai h LEU 250 N 0.00 0.00 0.00 1.61 3.38 -0.99 -3.46 115.31 115.85 1qai h LEU 250 Ca -0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1qai h LEU 250 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1qai h LEU 250 CO 0.02 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.19 1qai n GLY 251 N 1.31 0.13 3.81 0.83 0.00 -0.57 -1.12 105.19 109.58 1qai n GLY 251 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1qai n GLY 251 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qai s TYR 252 N -2.00 3.05 -0.04 1.61 2.02 -0.21 -1.62 117.35 120.16 1qai s TYR 252 Ca 0.00 1.45 0.02 0.00 -0.37 0.00 0.00 57.07 58.17 1qai s TYR 252 Cb 0.00 -2.92 0.01 0.00 -0.40 0.00 0.00 41.96 38.65 1qai s TYR 252 CO 0.00 -1.25 -0.09 1.03 -1.57 0.00 0.00 175.55 173.67 1qai s ARG 253 N -4.85 1.13 -0.03 -0.62 1.81 -1.26 -4.24 118.95 110.90 1qai s ARG 253 Ca 0.59 -0.29 -0.06 0.00 -1.72 0.00 0.00 55.73 54.25 1qai s ARG 253 Cb -0.15 -1.03 -0.04 0.00 -0.45 0.00 0.00 34.95 33.28 1qai s ARG 253 CO 0.52 0.04 0.22 0.00 -0.68 0.00 0.00 175.30 175.40 1qai s ALA 254 N 0.50 3.87 -0.57 2.13 0.00 0.76 -2.07 121.76 126.38 1qai s ALA 254 Ca -0.09 -0.61 -0.27 0.00 0.00 0.00 0.00 51.96 50.99 1qai s ALA 254 Cb -0.12 -2.02 0.03 0.00 0.00 0.00 0.00 23.12 21.01 1qai s ALA 254 CO 0.01 0.65 1.14 0.45 0.00 0.00 0.00 175.76 178.02 1qai s SER 255 N -1.54 6.43 0.33 0.00 0.15 -0.79 -1.49 113.70 116.79 1qai s SER 255 Ca 0.24 0.03 0.11 0.00 0.70 0.00 0.00 55.95 57.02 1qai s SER 255 Cb -0.13 -2.53 0.56 0.00 -1.71 0.00 0.00 66.02 62.21 1qai s SER 255 CO 0.13 -1.43 1.74 0.00 1.20 0.00 0.00 173.24 174.88 1qai h ALA 256 N 9.49 1.21 -0.88 5.45 0.00 -1.95 -2.52 119.26 130.06 1qai h ALA 256 Ca -0.25 -0.42 0.12 0.00 0.00 0.00 0.00 54.91 54.36 1qai h ALA 256 Cb 1.06 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 1qai h ALA 256 CO 1.17 0.58 0.57 -0.22 0.00 0.00 0.00 179.25 181.34 1qai h LYS 257 N 0.05 0.75 0.00 0.00 1.63 -1.99 -2.65 116.57 114.36 1qai h LYS 257 Ca 0.00 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1qai h LYS 257 Cb 0.82 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 32.27 1qai h LYS 257 CO 0.06 0.50 -0.22 1.63 -3.45 0.00 0.00 179.45 177.97 1qai n LYS 258 N -4.54 1.41 -2.85 1.90 5.02 -1.17 -5.03 118.16 112.90 1qai n LYS 258 Ca 0.16 -2.90 -0.42 0.00 -2.02 0.00 0.00 58.31 53.14 1qai n LYS 258 Cb 0.39 -1.55 -0.04 0.00 -0.02 0.00 0.00 35.03 33.81 1qai n LYS 258 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qai s ALA 259 N -3.03 3.53 -1.15 7.82 0.00 -0.96 -4.78 121.76 123.19 1qai s ALA 259 Ca 0.35 0.07 -0.10 0.00 0.00 0.00 0.00 51.96 52.28 1qai s ALA 259 Cb 0.32 -3.28 0.25 0.00 0.00 0.00 0.00 23.12 20.41 1qai s ALA 259 CO -0.01 -0.69 1.26 1.04 0.00 0.00 0.00 175.76 177.36 1qai n GLN 260 N 5.34 3.57 -2.37 0.00 6.02 0.23 -4.98 117.38 125.18 1qai n GLN 260 Ca 0.06 -4.26 -0.43 0.00 -0.01 0.00 0.00 57.00 52.35 1qai n GLN 260 Cb 0.48 -2.70 -0.02 0.00 1.02 0.00 0.00 30.24 29.02 1qai n GLN 260 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1qai s ILE 261 N -0.55 3.97 -0.62 5.09 -1.09 -1.26 -1.49 121.20 125.24 1qai s ILE 261 Ca 0.35 1.02 -0.19 0.00 -2.23 0.00 0.00 60.65 59.59 1qai s ILE 261 Cb -0.06 -4.20 0.03 0.00 -1.58 0.00 0.00 42.46 36.65 1qai s ILE 261 CO -0.04 -0.69 0.64 0.00 -1.23 0.00 0.00 174.94 173.62 1qai s GLN 263 N -3.54 1.84 -0.13 0.00 -1.52 -1.07 -4.94 119.66 110.30 1qai s GLN 263 Ca 0.19 -1.95 -0.09 0.00 -1.95 0.00 0.00 55.36 51.57 1qai s GLN 263 Cb -0.02 -1.71 -0.25 0.00 -0.22 0.00 0.00 33.01 30.81 1qai s GLN 263 CO 0.87 0.12 0.36 1.63 -0.25 0.00 0.00 175.29 178.02 1qai n LYS 264 N -0.81 0.74 -3.90 2.91 4.76 -1.26 -2.25 118.16 118.34 1qai n LYS 264 Ca -0.05 0.30 -0.35 0.00 -2.87 0.00 0.00 58.31 55.34 1qai n LYS 264 Cb 0.64 -1.72 -0.14 0.00 -1.84 0.00 0.00 35.03 31.97 1qai n LYS 264 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1qai s GLN 265 N -2.54 3.16 0.02 1.97 -1.52 -1.26 -4.29 119.66 115.20 1qai s GLN 265 Ca -0.23 -0.77 -0.00 0.00 -1.95 0.00 0.00 55.36 52.40 1qai s GLN 265 Cb 0.06 -3.05 -0.02 0.00 -0.22 0.00 0.00 33.01 29.79 1qai s GLN 265 CO 0.75 -0.30 -0.02 0.14 -0.25 0.00 0.00 175.29 175.61 1qai s VAL 266 N 1.43 0.10 -0.22 1.09 -7.23 -0.87 -5.02 120.40 109.68 1qai s VAL 266 Ca 0.04 -0.81 -0.09 0.00 -1.81 0.00 0.00 61.98 59.30 1qai s VAL 266 Cb -0.15 -0.24 -0.05 0.00 0.56 0.00 0.00 36.38 36.50 1qai s VAL 266 CO -0.03 -0.45 0.12 -0.75 -0.31 0.00 0.00 175.10 173.68 1qai s LYS 267 N -1.31 4.04 -0.10 4.82 2.20 -1.26 -1.65 119.74 126.48 1qai s LYS 267 Ca -0.14 -0.30 -0.01 0.00 -0.36 0.00 0.00 55.97 55.16 1qai s LYS 267 Cb -0.09 -3.40 0.03 0.00 -1.51 0.00 0.00 37.83 32.85 1qai s LYS 267 CO -0.01 0.15 -0.03 -0.47 -0.36 0.00 0.00 175.35 174.63 1qai s TYR 268 N 0.76 1.10 -2.04 4.03 5.04 0.21 -4.78 117.35 121.66 1qai s TYR 268 Ca 0.06 -0.50 0.00 0.00 -2.44 0.00 0.00 57.07 54.19 1qai s TYR 268 Cb -0.13 -1.03 0.00 0.00 0.35 0.00 0.00 41.96 41.15 1qai s TYR 268 CO 0.02 -0.44 0.00 1.28 -1.34 0.00 0.00 175.55 175.07 1qai n LEU 269 N 5.04 -1.59 0.00 6.97 4.32 -1.26 -2.84 117.00 127.64 1qai n LEU 269 Ca -0.10 0.37 0.00 0.00 -0.02 0.00 0.00 56.01 56.26 1qai n LEU 269 Cb 0.50 -2.82 0.00 0.00 -1.62 0.00 0.00 43.42 39.48 1qai n LEU 269 CO 0.14 -0.84 0.00 0.61 -1.22 0.00 0.00 177.39 176.08 1qai n GLY 270 N -0.54 3.10 3.76 -0.72 0.00 -1.26 -5.08 105.19 104.46 1qai n GLY 270 Ca -0.21 -0.87 -0.36 0.00 0.00 0.00 0.00 46.02 44.58 1qai n GLY 270 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qai s TYR 271 N 0.00 2.49 -0.27 1.61 2.02 -1.13 -4.98 117.35 117.08 1qai s TYR 271 Ca 0.00 1.52 -0.03 0.00 -0.37 0.00 0.00 57.07 58.20 1qai s TYR 271 Cb 0.00 -3.42 0.03 0.00 -0.40 0.00 0.00 41.96 38.17 1qai s TYR 271 CO 0.00 -2.00 -0.02 -1.17 -1.57 0.00 0.00 175.55 170.79 1qai s LEU 272 N -3.96 3.48 0.15 -1.29 0.20 -1.26 -0.62 118.68 115.37 1qai s LEU 272 Ca 0.76 -0.94 0.11 0.00 0.69 0.00 0.00 54.13 54.74 1qai s LEU 272 Cb -0.28 -1.71 -0.04 0.00 -0.43 0.00 0.00 46.19 43.72 1qai s LEU 272 CO 0.31 -0.17 -0.23 -1.48 -0.29 0.00 0.00 176.35 174.49 1qai s LEU 273 N 1.34 2.48 0.00 -0.68 -0.00 -0.66 -4.98 118.68 116.17 1qai s LEU 273 Ca -0.01 -0.73 0.10 0.00 -0.00 0.00 0.00 54.13 53.49 1qai s LEU 273 Cb -0.17 -1.30 0.08 0.00 -0.00 0.00 0.00 46.19 44.79 1qai s LEU 273 CO -0.02 0.16 0.81 2.29 -0.00 0.00 0.00 176.35 179.59