#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ofu n ALA 44 N 0.00 -1.01 -3.99 0.55 0.00 -1.26 -4.92 120.51 109.89 1ofu n ALA 44 Ca 0.00 0.46 0.17 0.00 0.00 0.00 0.00 53.44 54.07 1ofu n ALA 44 Cb 0.00 -1.99 0.01 0.00 0.00 0.00 0.00 19.45 17.47 1ofu n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ofu n ALA 45 N 1.35 -3.52 -2.84 0.00 0.00 -1.23 -4.75 120.51 109.52 1ofu n ALA 45 Ca 0.15 -0.80 -0.34 0.00 0.00 0.00 0.00 53.44 52.44 1ofu n ALA 45 Cb 0.24 0.17 -0.10 0.00 0.00 0.00 0.00 19.45 19.76 1ofu n ALA 45 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1ofu s PHE 46 N -2.04 3.17 0.11 0.00 5.36 -1.26 -1.24 117.98 122.08 1ofu s PHE 46 Ca 0.29 -0.01 0.05 0.00 -0.96 0.00 0.00 56.93 56.31 1ofu s PHE 46 Cb -0.01 -1.97 -0.04 0.00 -0.34 0.00 0.00 43.02 40.66 1ofu s PHE 46 CO -0.00 0.18 -0.13 -1.12 -1.46 0.00 0.00 175.22 172.68 1ofu s SER 47 N 0.06 1.81 -0.02 6.13 0.01 0.10 -4.99 113.70 116.80 1ofu s SER 47 Ca 0.03 -0.77 0.02 0.00 1.31 0.00 0.00 55.95 56.54 1ofu s SER 47 Cb -0.13 -0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.06 1ofu s SER 47 CO 0.02 -0.16 -0.06 -0.70 0.41 0.00 0.00 173.24 172.75 1ofu s GLU 48 N -2.49 0.74 -0.10 12.44 2.12 -1.26 -1.05 118.70 129.09 1ofu s GLU 48 Ca 0.06 -0.20 0.03 0.00 0.36 0.00 0.00 54.97 55.22 1ofu s GLU 48 Cb -0.06 -0.72 0.01 0.00 0.26 0.00 0.00 34.13 33.62 1ofu s GLU 48 CO 0.02 0.05 -0.20 -1.17 -0.54 0.00 0.00 175.26 173.42 1ofu s LEU 49 N 0.33 1.95 -0.03 2.70 0.20 0.29 -4.96 118.68 119.16 1ofu s LEU 49 Ca -0.04 -0.50 0.07 0.00 0.69 0.00 0.00 54.13 54.35 1ofu s LEU 49 Cb -0.09 -1.26 -0.02 0.00 -0.43 0.00 0.00 46.19 44.40 1ofu s LEU 49 CO 0.00 0.09 -0.25 -0.44 -0.29 0.00 0.00 176.35 175.47 1ofu s SER 50 N 0.63 2.91 -0.10 3.68 0.01 -1.26 -0.71 113.70 118.86 1ofu s SER 50 Ca -0.13 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 56.68 1ofu s SER 50 Cb -0.16 -0.43 0.02 0.00 0.21 0.00 0.00 66.02 65.65 1ofu s SER 50 CO 0.04 0.29 -0.12 -0.76 0.41 0.00 0.00 173.24 173.10 1ofu s LEU 51 N -0.48 1.52 -0.05 2.44 1.43 -0.17 -4.96 118.68 118.40 1ofu s LEU 51 Ca 0.07 -0.35 0.05 0.00 -1.03 0.00 0.00 54.13 52.87 1ofu s LEU 51 Cb -0.10 -0.92 -0.02 0.00 0.03 0.00 0.00 46.19 45.17 1ofu s LEU 51 CO 0.00 -0.03 -0.18 -0.44 0.23 0.00 0.00 176.35 175.93 1ofu s SER 52 N 1.15 3.71 0.00 2.29 0.01 -1.26 -4.22 113.70 115.38 1ofu s SER 52 Ca -0.05 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 56.92 1ofu s SER 52 Cb -0.14 -0.76 0.00 0.00 0.21 0.00 0.00 66.02 65.33 1ofu s SER 52 CO -0.03 0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.56 1ofu n GLY 53 N 2.45 0.90 3.59 3.44 0.00 -1.26 -4.91 105.19 109.41 1ofu n GLY 53 Ca -0.17 -2.02 -0.46 0.00 0.00 0.00 0.00 46.02 43.37 1ofu n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ofu n LEU 54 N 0.00 1.85 -0.34 0.99 7.99 -1.26 -4.72 117.00 121.51 1ofu n LEU 54 Ca 0.00 1.16 0.11 0.00 -0.01 0.00 0.00 56.01 57.27 1ofu n LEU 54 Cb 0.00 -1.28 0.31 0.00 -0.11 0.00 0.00 43.42 42.34 1ofu n LEU 54 CO 0.00 -1.25 1.22 1.55 -1.51 0.00 0.00 177.39 177.40 1ofu h PRO 55 N 2.80 0.80 -0.36 3.23 0.13 -1.98 0.14 132.00 136.77 1ofu h PRO 55 Ca -0.42 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 1ofu h PRO 55 Cb 1.33 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1ofu h PRO 55 CO 0.66 0.53 -0.13 0.78 -0.23 0.00 0.00 178.00 179.61 1ofu h GLY 56 N 0.83 0.68 0.78 1.56 0.00 -2.00 -2.06 103.07 102.86 1ofu h GLY 56 Ca 0.52 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 1ofu h GLY 56 CO -0.29 0.46 -0.05 0.45 0.00 0.00 0.00 176.54 177.11 1ofu h HIS 57 N 0.58 0.38 -0.67 5.60 3.86 -1.36 -2.42 115.15 121.11 1ofu h HIS 57 Ca 0.10 -0.08 0.07 0.00 -1.16 0.00 0.00 60.37 59.29 1ofu h HIS 57 Cb 0.56 -0.09 -0.06 0.00 1.06 0.00 0.00 27.41 28.88 1ofu h HIS 57 CO 0.02 0.61 0.36 0.00 0.86 0.00 0.00 177.93 179.78 1ofu h LEU 59 N 0.66 0.44 -0.70 0.00 3.38 -1.33 -1.24 115.31 116.52 1ofu h LEU 59 Ca 0.31 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.18 1ofu h LEU 59 Cb 0.23 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 1ofu h LEU 59 CO -0.20 0.47 0.41 0.74 0.09 0.00 0.00 178.44 179.94 1ofu h THR 60 N 0.38 1.00 -0.27 0.22 2.02 -0.91 -1.04 112.91 114.31 1ofu h THR 60 Ca 0.11 -0.26 -0.12 0.00 0.77 0.00 0.00 66.41 66.91 1ofu h THR 60 Cb 0.16 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 1ofu h THR 60 CO -0.01 0.14 -0.32 -0.07 0.37 0.00 0.00 175.52 175.62 1ofu h LEU 61 N 0.75 0.60 -0.53 2.58 3.38 -1.06 -3.17 115.31 117.86 1ofu h LEU 61 Ca 0.31 -0.24 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 1ofu h LEU 61 Cb 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1ofu h LEU 61 CO -0.17 0.89 -0.33 0.25 0.09 0.00 0.00 178.44 179.17 1ofu h LEU 62 N 0.50 0.87 -0.76 1.67 5.85 -0.57 -3.34 115.31 119.53 1ofu h LEU 62 Ca 0.06 -0.37 0.14 0.00 0.84 0.00 0.00 57.88 58.55 1ofu h LEU 62 Cb 0.80 -0.24 -0.14 0.00 0.37 0.00 0.00 40.66 41.45 1ofu h LEU 62 CO 0.07 1.12 -0.26 0.00 -0.34 0.00 0.00 178.44 179.03 1ofu h ALA 63 N 0.93 0.32 -0.57 1.25 0.00 -1.18 -1.47 119.26 118.54 1ofu h ALA 63 Ca 0.07 0.26 0.08 0.00 0.00 0.00 0.00 54.91 55.33 1ofu h ALA 63 Cb 0.88 0.71 -0.03 0.00 0.00 0.00 0.00 17.79 19.35 1ofu h ALA 63 CO 0.08 -0.51 0.38 -1.00 0.00 0.00 0.00 179.25 178.20 1ofu h PRO 64 N -0.05 0.44 0.13 0.00 0.13 -1.73 0.57 132.00 131.50 1ofu h PRO 64 Ca 0.34 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.43 1ofu h PRO 64 Cb 0.57 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.61 1ofu h PRO 64 CO -0.80 0.29 -0.06 0.82 -0.23 0.00 0.00 178.00 178.02 1ofu h ILE 65 N 0.46 1.03 -0.72 -3.56 1.08 -1.48 -1.66 117.51 112.65 1ofu h ILE 65 Ca 0.25 -0.73 -0.03 0.00 -0.39 0.00 0.00 64.86 63.96 1ofu h ILE 65 Cb 0.41 1.48 -0.03 0.00 -3.07 0.00 0.00 36.82 35.61 1ofu h ILE 65 CO -0.07 0.17 0.32 -0.07 -0.69 0.00 0.00 178.15 177.81 1ofu h LEU 66 N -0.53 0.96 0.01 1.44 3.38 -1.25 0.30 115.31 119.62 1ofu h LEU 66 Ca -0.02 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1ofu h LEU 66 Cb 0.42 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1ofu h LEU 66 CO 0.03 0.83 -0.01 -0.09 0.09 0.00 0.00 178.44 179.30 1ofu h ARG 67 N 1.04 -0.02 -0.47 1.13 2.43 -0.87 -0.74 114.38 116.88 1ofu h ARG 67 Ca 0.25 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.31 1ofu h ARG 67 Cb 0.15 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1ofu h ARG 67 CO -0.03 0.09 -0.13 1.49 -1.51 0.00 0.00 179.97 179.89 1ofu h GLU 68 N -0.12 0.88 -0.47 0.20 4.81 -0.98 -2.60 114.58 116.31 1ofu h GLU 68 Ca -0.00 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 58.90 1ofu h GLU 68 Cb 0.11 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1ofu h GLU 68 CO 0.00 0.95 0.22 -0.07 -0.73 0.00 0.00 179.01 179.39 1ofu h LEU 69 N 0.78 0.58 0.00 1.64 3.38 -0.23 -1.32 115.31 120.14 1ofu h LEU 69 Ca 0.12 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ofu h LEU 69 Cb 0.65 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1ofu h LEU 69 CO 0.05 0.50 0.00 -1.54 0.09 0.00 0.00 178.44 177.53 1ofu n SER 70 N -4.39 0.00 -0.59 -0.43 3.41 -0.30 -2.41 113.62 108.91 1ofu n SER 70 Ca 0.04 0.30 0.05 0.00 -0.26 0.00 0.00 58.87 58.99 1ofu n SER 70 Cb 0.12 -0.40 0.14 0.00 -0.26 0.00 0.00 64.21 63.81 1ofu n SER 70 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ofu n GLU 71 N -1.40 2.79 -1.52 4.33 -0.58 -0.51 -4.56 120.64 119.18 1ofu n GLU 71 Ca 0.06 -1.98 -0.47 0.00 -0.42 0.00 0.00 57.16 54.35 1ofu n GLU 71 Cb 0.17 -1.25 -0.03 0.00 -0.57 0.00 0.00 31.44 29.76 1ofu n GLU 71 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1ofu n GLU 72 N 0.45 0.82 -0.09 3.49 -0.58 -1.01 -4.84 120.64 118.88 1ofu n GLU 72 Ca 0.11 0.29 0.02 0.00 -0.42 0.00 0.00 57.16 57.15 1ofu n GLU 72 Cb 0.41 -1.57 0.32 0.00 -0.57 0.00 0.00 31.44 30.03 1ofu n GLU 72 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1ofu h GLN 73 N 1.99 0.72 -6.21 3.49 4.20 -1.93 -3.42 115.11 113.96 1ofu h GLN 73 Ca -0.37 -0.07 -0.63 0.00 0.06 0.00 0.00 58.65 57.64 1ofu h GLN 73 Cb 1.38 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 29.02 1ofu h GLN 73 CO 0.61 0.52 1.16 -3.47 -0.67 0.00 0.00 178.83 176.99 1ofu n ASP 74 N -4.41 3.20 -3.23 1.46 4.64 -1.26 -4.80 116.55 112.14 1ofu n ASP 74 Ca 0.05 0.85 -0.23 0.00 -1.38 0.00 0.00 54.79 54.08 1ofu n ASP 74 Cb 0.09 -1.35 -0.02 0.00 -1.04 0.00 0.00 41.12 38.80 1ofu n ASP 74 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1ofu n ALA 75 N 7.34 3.97 -2.32 -1.67 0.00 -1.26 -4.77 120.51 121.79 1ofu n ALA 75 Ca 0.26 -1.97 -0.15 0.00 0.00 0.00 0.00 53.44 51.57 1ofu n ALA 75 Cb 0.28 -3.05 -0.09 0.00 0.00 0.00 0.00 19.45 16.60 1ofu n ALA 75 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ofu s ARG 76 N 3.92 1.51 0.69 0.00 0.52 -1.26 -5.05 118.95 119.29 1ofu s ARG 76 Ca 0.38 -1.80 -0.11 0.00 -0.52 0.00 0.00 55.73 53.68 1ofu s ARG 76 Cb 0.10 0.31 0.01 0.00 0.52 0.00 0.00 34.95 35.89 1ofu s ARG 76 CO 0.00 -0.54 1.07 -1.58 0.02 0.00 0.00 175.30 174.27 1ofu s TRP 77 N -3.76 3.31 -0.30 -0.53 0.52 -0.75 -4.61 118.94 112.81 1ofu s TRP 77 Ca 0.39 1.17 -0.06 0.00 0.02 0.00 0.00 56.10 57.62 1ofu s TRP 77 Cb 0.04 -2.96 0.02 0.00 -1.15 0.00 0.00 33.47 29.42 1ofu s TRP 77 CO 0.20 -1.14 0.06 -1.17 0.02 0.00 0.00 176.95 174.91 1ofu s LEU 78 N -5.39 3.90 -0.19 2.99 2.96 -0.74 -1.16 118.68 121.04 1ofu s LEU 78 Ca 0.58 -0.90 -0.06 0.00 -0.22 0.00 0.00 54.13 53.52 1ofu s LEU 78 Cb -0.12 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 1ofu s LEU 78 CO 0.53 -0.23 0.03 -0.89 -1.32 0.00 0.00 176.35 174.47 1ofu s THR 79 N 1.43 4.31 -0.23 3.68 2.01 -0.44 -1.32 115.64 125.08 1ofu s THR 79 Ca 0.00 -0.20 -0.07 0.00 0.31 0.00 0.00 61.69 61.74 1ofu s THR 79 Cb -0.18 -2.95 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 1ofu s THR 79 CO 0.01 0.44 0.07 -0.76 -0.69 0.00 0.00 174.62 173.69 1ofu s LEU 80 N 0.74 3.55 -0.29 4.42 1.02 -0.09 0.52 118.68 128.54 1ofu s LEU 80 Ca 0.01 -0.12 -0.08 0.00 0.02 0.00 0.00 54.13 53.97 1ofu s LEU 80 Cb -0.14 -1.93 0.00 0.00 0.02 0.00 0.00 46.19 44.14 1ofu s LEU 80 CO 0.02 0.03 0.10 -0.63 0.02 0.00 0.00 176.35 175.89 1ofu s ILE 81 N 1.24 4.17 -1.04 -0.59 -1.09 0.68 -0.83 121.20 123.74 1ofu s ILE 81 Ca 0.05 -0.56 -0.20 0.00 -2.23 0.00 0.00 60.65 57.70 1ofu s ILE 81 Cb -0.14 -3.12 0.03 0.00 -1.58 0.00 0.00 42.46 37.64 1ofu s ILE 81 CO 0.03 0.11 0.64 0.00 -1.23 0.00 0.00 174.94 174.49 1ofu n ALA 82 N 4.91 -2.68 -1.62 9.38 0.00 0.22 -4.11 120.51 126.61 1ofu n ALA 82 Ca -0.15 -0.46 -0.29 0.00 0.00 0.00 0.00 53.44 52.54 1ofu n ALA 82 Cb 0.49 -1.73 0.10 0.00 0.00 0.00 0.00 19.45 18.31 1ofu n ALA 82 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ofu s PRO 83 N -6.40 1.86 0.77 0.00 0.04 -1.26 -4.60 135.00 125.40 1ofu s PRO 83 Ca 0.28 0.45 -0.14 0.00 0.04 0.00 0.00 61.00 61.63 1ofu s PRO 83 Cb -0.16 -1.91 0.06 0.00 0.04 0.00 0.00 34.50 32.53 1ofu s PRO 83 CO 0.93 -1.74 1.20 -1.25 0.04 0.00 0.00 177.00 176.19 1ofu s PRO 84 N -5.26 1.90 0.56 0.56 0.04 -1.26 -4.86 135.00 126.67 1ofu s PRO 84 Ca 0.62 1.75 0.30 0.00 0.04 0.00 0.00 61.00 63.70 1ofu s PRO 84 Cb -0.14 -1.81 1.46 0.00 0.04 0.00 0.00 34.50 34.06 1ofu s PRO 84 CO 0.53 -2.01 1.89 0.00 0.04 0.00 0.00 177.00 177.45 1ofu h ALA 85 N -0.60 2.58 0.00 8.56 0.00 -2.03 0.67 119.26 128.43 1ofu h ALA 85 Ca -0.47 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1ofu h ALA 85 Cb 1.29 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1ofu h ALA 85 CO 0.48 -0.93 -0.03 0.66 0.00 0.00 0.00 179.25 179.43 1ofu h SER 86 N 0.00 0.00 -1.57 0.00 4.64 -2.04 -3.27 113.55 111.31 1ofu h SER 86 Ca 0.33 0.00 -0.76 0.00 -0.47 0.00 0.00 61.79 60.89 1ofu h SER 86 Cb 1.47 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.39 1ofu h SER 86 CO -0.00 0.03 1.92 0.18 -0.87 0.00 0.00 176.83 178.08 1ofu n LEU 87 N -3.20 7.05 -4.70 5.97 4.32 0.23 -4.83 117.00 121.83 1ofu n LEU 87 Ca -0.01 -4.83 -0.29 0.00 -0.02 0.00 0.00 56.01 50.86 1ofu n LEU 87 Cb 0.21 -1.40 0.15 0.00 -1.62 0.00 0.00 43.42 40.76 1ofu n LEU 87 CO 0.25 1.65 0.66 0.42 -1.22 0.00 0.00 177.39 179.15 1ofu s THR 88 N -0.72 2.38 0.35 -5.08 -4.23 -1.24 -4.82 115.64 102.29 1ofu s THR 88 Ca 0.42 0.12 0.04 0.00 -1.18 0.00 0.00 61.69 61.10 1ofu s THR 88 Cb 0.12 -2.63 0.19 0.00 1.34 0.00 0.00 72.50 71.51 1ofu s THR 88 CO -0.01 -0.16 1.92 0.45 -0.54 0.00 0.00 174.62 176.27 1ofu h HIS 89 N -1.69 0.57 -0.35 3.99 3.86 -1.94 -1.69 115.15 117.90 1ofu h HIS 89 Ca -0.52 -0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 58.62 1ofu h HIS 89 Cb 1.31 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 29.59 1ofu h HIS 89 CO 0.36 0.50 0.09 1.49 0.86 0.00 0.00 177.93 181.23 1ofu h GLU 90 N 0.55 0.55 -0.77 2.45 4.57 -1.98 -1.31 114.58 118.65 1ofu h GLU 90 Ca 0.13 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1ofu h GLU 90 Cb 0.22 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 1ofu h GLU 90 CO -0.00 0.60 0.39 2.35 -1.18 0.00 0.00 179.01 181.17 1ofu h TRP 91 N 0.40 1.08 -0.20 0.92 7.01 -1.74 0.81 115.95 124.23 1ofu h TRP 91 Ca 0.11 -0.04 -0.13 0.00 2.11 0.00 0.00 58.89 60.94 1ofu h TRP 91 Cb 0.29 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 27.00 1ofu h TRP 91 CO 0.01 0.77 -0.43 -0.07 -2.79 0.00 0.00 178.44 175.94 1ofu h LEU 92 N 1.09 0.51 -0.01 0.65 3.38 -1.10 0.34 115.31 120.17 1ofu h LEU 92 Ca 0.27 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ofu h LEU 92 Cb 0.07 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1ofu h LEU 92 CO -0.04 0.88 -0.02 0.03 0.09 0.00 0.00 178.44 179.38 1ofu h ARG 93 N 0.40 0.03 0.00 1.13 3.08 -0.81 -2.83 114.38 115.38 1ofu h ARG 93 Ca 0.03 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1ofu h ARG 93 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.96 1ofu h ARG 93 CO 0.08 0.59 0.00 -0.09 -1.07 0.00 0.00 179.97 179.48 1ofu h ARG 94 N -0.52 0.00 0.00 0.04 2.43 -0.82 0.01 114.38 115.52 1ofu h ARG 94 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ofu h ARG 94 Cb 0.59 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1ofu h ARG 94 CO 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.46 1ofu n ALA 95 N -2.07 2.46 -0.80 2.80 0.00 0.10 -4.92 120.51 118.09 1ofu n ALA 95 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1ofu n ALA 95 Cb 0.15 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1ofu n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ofu n GLY 96 N 1.24 0.60 3.75 0.00 0.00 -0.01 -4.82 105.19 105.95 1ofu n GLY 96 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1ofu n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ofu s LEU 97 N 0.00 3.52 -0.40 0.99 1.43 -1.14 -4.89 118.68 118.18 1ofu s LEU 97 Ca 0.00 2.25 -0.28 0.00 -1.03 0.00 0.00 54.13 55.07 1ofu s LEU 97 Cb 0.00 -4.58 -0.02 0.00 0.03 0.00 0.00 46.19 41.62 1ofu s LEU 97 CO 0.00 -1.72 1.76 0.21 0.23 0.00 0.00 176.35 176.83 1ofu s ASN 98 N -1.98 5.81 0.58 2.29 3.04 -1.26 -4.85 114.94 118.56 1ofu s ASN 98 Ca 0.73 1.03 0.27 0.00 0.04 0.00 0.00 52.86 54.93 1ofu s ASN 98 Cb -0.27 -2.53 1.59 0.00 -1.54 0.00 0.00 41.25 38.50 1ofu s ASN 98 CO 0.37 -1.83 2.08 0.03 -3.04 0.00 0.00 177.10 174.72 1ofu h ARG 99 N 13.08 0.00 -0.32 0.43 2.47 -1.94 -2.41 114.38 125.69 1ofu h ARG 99 Ca -0.31 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.41 1ofu h ARG 99 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 1ofu h ARG 99 CO 1.08 0.00 0.00 0.39 0.56 0.00 0.00 179.97 182.00 1ofu n GLU 100 N -3.92 2.11 -0.53 0.04 -0.58 -1.26 -4.31 120.64 112.18 1ofu n GLU 100 Ca 0.03 -1.69 0.04 0.00 -0.42 0.00 0.00 57.16 55.12 1ofu n GLU 100 Cb 0.36 -1.44 0.06 0.00 -0.57 0.00 0.00 31.44 29.85 1ofu n GLU 100 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1ofu n ARG 101 N 0.89 0.49 -4.64 3.49 1.74 -0.91 -5.05 116.66 112.68 1ofu n ARG 101 Ca 0.17 -1.78 -0.23 0.00 -0.77 0.00 0.00 57.85 55.25 1ofu n ARG 101 Cb 0.45 -0.80 -0.15 0.00 -1.02 0.00 0.00 32.46 30.94 1ofu n ARG 101 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ofu s ILE 102 N -1.08 1.12 -0.08 0.55 1.01 -1.25 -1.80 121.20 119.68 1ofu s ILE 102 Ca 0.17 -0.58 0.05 0.00 0.00 0.00 0.00 60.65 60.29 1ofu s ILE 102 Cb 0.17 -0.95 -0.01 0.00 0.01 0.00 0.00 42.46 41.68 1ofu s ILE 102 CO -0.02 0.32 -0.24 -0.76 0.00 0.00 0.00 174.94 174.24 1ofu s LEU 103 N -0.15 2.08 -0.24 2.97 1.02 -0.43 -4.95 118.68 118.99 1ofu s LEU 103 Ca 0.02 -0.53 0.02 0.00 0.02 0.00 0.00 54.13 53.66 1ofu s LEU 103 Cb -0.07 -1.39 0.05 0.00 0.02 0.00 0.00 46.19 44.79 1ofu s LEU 103 CO 0.00 0.20 -0.12 -0.22 0.02 0.00 0.00 176.35 176.23 1ofu s LEU 104 N 0.09 3.00 -0.14 1.79 0.20 -1.26 -0.91 118.68 121.45 1ofu s LEU 104 Ca -0.11 -1.18 -0.02 0.00 0.69 0.00 0.00 54.13 53.51 1ofu s LEU 104 Cb -0.16 -1.48 -0.02 0.00 -0.43 0.00 0.00 46.19 44.10 1ofu s LEU 104 CO 0.06 -0.15 -0.06 -0.76 -0.29 0.00 0.00 176.35 175.15 1ofu s LEU 105 N 1.19 3.12 0.49 -0.68 1.43 -0.01 -4.99 118.68 119.23 1ofu s LEU 105 Ca -0.05 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 1ofu s LEU 105 Cb -0.18 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.33 1ofu s LEU 105 CO -0.07 0.20 0.69 -1.10 0.23 0.00 0.00 176.35 176.30 1ofu s GLN 106 N 0.18 2.76 -0.18 1.70 -1.52 -1.26 0.73 119.66 122.07 1ofu s GLN 106 Ca -0.03 -0.81 -0.23 0.00 -1.95 0.00 0.00 55.36 52.34 1ofu s GLN 106 Cb -0.14 -2.58 0.06 0.00 -0.22 0.00 0.00 33.01 30.13 1ofu s GLN 106 CO 0.03 -0.47 0.61 0.00 -0.25 0.00 0.00 175.29 175.21 1ofu s ALA 107 N -2.59 -1.52 0.29 6.09 0.00 -1.26 -4.75 121.76 118.01 1ofu s ALA 107 Ca 0.54 1.55 0.00 0.00 0.00 0.00 0.00 51.96 54.05 1ofu s ALA 107 Cb -0.10 -0.73 0.51 0.00 0.00 0.00 0.00 23.12 22.80 1ofu s ALA 107 CO 0.37 -0.31 1.88 1.57 0.00 0.00 0.00 175.76 179.27 1ofu h LYS 108 N 4.63 1.03 -3.35 0.00 2.10 -2.00 -3.46 116.57 115.52 1ofu h LYS 108 Ca -0.28 -0.06 -0.09 0.00 -2.00 0.00 0.00 60.65 58.21 1ofu h LYS 108 Cb 1.16 -0.23 -0.03 0.00 -0.90 0.00 0.00 32.23 32.23 1ofu h LYS 108 CO 0.19 0.68 0.12 0.16 -2.00 0.00 0.00 179.45 178.61 1ofu s ASP 109 N -5.87 0.27 0.23 7.07 -4.77 -1.26 -5.04 116.67 107.29 1ofu s ASP 109 Ca -0.12 -1.22 -0.06 0.00 -3.30 0.00 0.00 52.55 47.84 1ofu s ASP 109 Cb 0.21 0.79 0.36 0.00 -1.09 0.00 0.00 42.92 43.18 1ofu s ASP 109 CO 0.81 -1.55 1.76 0.78 0.70 0.00 0.00 175.17 177.67 1ofu h ASN 110 N 2.04 0.39 -0.49 2.11 4.21 -1.97 0.93 115.58 122.79 1ofu h ASN 110 Ca -0.30 0.07 0.05 0.00 1.21 0.00 0.00 56.30 57.33 1ofu h ASN 110 Cb 1.25 0.02 -0.05 0.00 -1.12 0.00 0.00 38.32 38.42 1ofu h ASN 110 CO 0.39 0.21 0.23 0.00 -1.29 0.00 0.00 177.43 176.98 1ofu h ALA 111 N 1.46 0.62 -0.28 -0.83 0.00 -1.99 0.16 119.26 118.40 1ofu h ALA 111 Ca 0.36 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.22 1ofu h ALA 111 Cb 0.43 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ofu h ALA 111 CO -0.30 -0.13 -0.13 0.00 0.00 0.00 0.00 179.25 178.69 1ofu h ALA 112 N 1.28 0.39 -0.84 0.00 0.00 -1.77 -2.52 119.26 115.81 1ofu h ALA 112 Ca 0.22 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1ofu h ALA 112 Cb 0.15 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1ofu h ALA 112 CO -0.17 0.27 0.55 0.00 0.00 0.00 0.00 179.25 179.90 1ofu h ALA 113 N 0.75 1.40 -0.02 0.00 0.00 -0.39 0.12 119.26 121.11 1ofu h ALA 113 Ca 0.06 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ofu h ALA 113 Cb 0.64 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ofu h ALA 113 CO 0.04 0.56 0.01 1.25 0.00 0.00 0.00 179.25 181.11 1ofu h LEU 114 N 1.14 0.03 -0.84 0.00 6.46 -0.61 -0.42 115.31 121.08 1ofu h LEU 114 Ca 0.31 -0.18 0.01 0.00 -0.12 0.00 0.00 57.88 57.90 1ofu h LEU 114 Cb -0.13 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 39.75 1ofu h LEU 114 CO -0.07 0.20 0.55 0.00 -0.62 0.00 0.00 178.44 178.50 1ofu h ALA 115 N 0.83 1.07 -0.09 1.25 0.00 -0.97 -2.09 119.26 119.26 1ofu h ALA 115 Ca 0.01 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1ofu h ALA 115 Cb 0.18 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1ofu h ALA 115 CO -0.00 0.49 -0.44 1.25 0.00 0.00 0.00 179.25 180.55 1ofu h LEU 116 N 1.14 0.23 -0.10 0.00 6.46 -0.61 -2.02 115.31 120.41 1ofu h LEU 116 Ca 0.31 -0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.95 1ofu h LEU 116 Cb -0.11 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 39.75 1ofu h LEU 116 CO -0.06 0.65 0.01 0.28 -0.62 0.00 0.00 178.44 178.69 1ofu h SER 117 N 0.18 0.17 -0.50 1.25 0.02 -0.55 -0.01 113.55 114.12 1ofu h SER 117 Ca 0.01 -0.27 -0.05 0.00 -0.84 0.00 0.00 61.79 60.64 1ofu h SER 117 Cb 0.85 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.32 1ofu h SER 117 CO 0.07 0.40 0.14 0.00 -1.14 0.00 0.00 176.83 176.30 1ofu h GLU 119 N 0.81 0.55 -0.53 0.00 4.57 -1.21 0.17 114.58 118.94 1ofu h GLU 119 Ca 0.18 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1ofu h GLU 119 Cb 0.28 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 1ofu h GLU 119 CO -0.00 0.78 0.32 0.00 -1.18 0.00 0.00 179.01 178.93 1ofu h ALA 120 N 0.76 0.67 -0.16 2.92 0.00 -0.65 0.23 119.26 123.03 1ofu h ALA 120 Ca 0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ofu h ALA 120 Cb 0.60 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ofu h ALA 120 CO 0.03 0.15 0.08 -0.07 0.00 0.00 0.00 179.25 179.44 1ofu h LEU 121 N 0.71 0.21 -0.99 0.00 3.38 -0.69 -3.02 115.31 114.91 1ofu h LEU 121 Ca 0.19 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1ofu h LEU 121 Cb -0.02 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 1ofu h LEU 121 CO -0.04 0.27 0.64 -0.09 0.09 0.00 0.00 178.44 179.32 1ofu h ARG 122 N 0.13 1.18 0.00 1.13 2.43 -0.27 -2.23 114.38 116.75 1ofu h ARG 122 Ca 0.05 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1ofu h ARG 122 Cb 0.12 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1ofu h ARG 122 CO -0.01 0.78 -0.01 -0.07 -1.51 0.00 0.00 179.97 179.15 1ofu h LEU 123 N 1.22 0.00 0.50 3.80 4.07 -0.82 -3.36 115.31 120.72 1ofu h LEU 123 Ca 0.41 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 58.15 1ofu h LEU 123 Cb 0.07 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 41.73 1ofu h LEU 123 CO -0.15 0.01 -0.20 0.61 -1.08 0.00 0.00 178.44 177.64 1ofu n GLY 124 N -1.00 1.18 0.50 0.83 0.00 -0.84 -4.89 105.19 100.96 1ofu n GLY 124 Ca -0.03 -0.48 0.13 0.00 0.00 0.00 0.00 46.02 45.64 1ofu n GLY 124 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ofu n ARG 125 N -2.56 1.41 -4.95 1.61 3.00 -1.26 -4.89 116.66 109.01 1ofu n ARG 125 Ca -0.11 -1.00 -0.27 0.00 -0.00 0.00 0.00 57.85 56.48 1ofu n ARG 125 Cb 0.36 -1.48 -0.15 0.00 0.00 0.00 0.00 32.46 31.19 1ofu n ARG 125 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1ofu s SER 126 N -2.27 2.41 0.21 6.15 0.01 -1.26 -1.81 113.70 117.13 1ofu s SER 126 Ca 0.27 -0.39 0.10 0.00 1.31 0.00 0.00 55.95 57.24 1ofu s SER 126 Cb 0.20 -0.26 0.07 0.00 0.21 0.00 0.00 66.02 66.24 1ofu s SER 126 CO 0.44 0.24 1.44 1.12 0.41 0.00 0.00 173.24 176.89 1ofu h HIS 127 N 5.53 0.00 -3.30 2.43 2.07 -1.39 -3.43 115.15 117.06 1ofu h HIS 127 Ca -0.39 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 56.93 1ofu h HIS 127 Cb 1.14 0.00 -0.27 0.00 2.57 0.00 0.00 27.41 30.85 1ofu h HIS 127 CO 0.41 0.77 -0.53 0.99 -3.07 0.00 0.00 177.93 176.50 1ofu s THR 128 N -3.08 -0.01 -0.23 6.12 2.01 -1.24 -0.72 115.64 118.49 1ofu s THR 128 Ca 0.01 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.06 1ofu s THR 128 Cb 0.11 -0.25 0.05 0.00 0.01 0.00 0.00 72.50 72.41 1ofu s THR 128 CO 0.78 0.01 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.89 1ofu s VAL 129 N 0.30 2.13 -0.20 3.82 1.01 -0.25 -1.33 120.40 125.87 1ofu s VAL 129 Ca -0.02 -1.40 -0.13 0.00 0.00 0.00 0.00 61.98 60.43 1ofu s VAL 129 Cb -0.03 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 1ofu s VAL 129 CO -0.01 0.17 0.27 -0.69 0.00 0.00 0.00 175.10 174.84 1ofu s VAL 130 N 1.17 5.30 0.31 2.92 1.01 0.18 -2.00 120.40 129.28 1ofu s VAL 130 Ca -0.04 0.45 0.10 0.00 0.00 0.00 0.00 61.98 62.48 1ofu s VAL 130 Cb -0.18 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1ofu s VAL 130 CO -0.08 0.33 -0.03 -0.44 0.00 0.00 0.00 175.10 174.89 1ofu s SER 131 N 0.85 4.18 -0.44 3.32 0.01 0.17 -0.23 113.70 121.56 1ofu s SER 131 Ca 0.14 -0.90 0.08 0.00 1.31 0.00 0.00 55.95 56.58 1ofu s SER 131 Cb -0.14 -0.58 0.27 0.00 0.21 0.00 0.00 66.02 65.79 1ofu s SER 131 CO 0.05 -0.13 0.62 0.79 0.41 0.00 0.00 173.24 174.98 1ofu n TRP 132 N -0.88 0.71 -4.17 2.43 8.01 -1.26 -0.15 117.44 122.13 1ofu n TRP 132 Ca -0.05 -3.74 -0.34 0.00 -1.31 0.00 0.00 57.50 52.06 1ofu n TRP 132 Cb 0.61 -0.41 -0.13 0.00 -2.01 0.00 0.00 31.31 29.37 1ofu n TRP 132 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1ofu s LEU 133 N -1.77 3.11 -0.21 -0.99 1.43 -1.25 -4.95 118.68 114.04 1ofu s LEU 133 Ca 0.38 -0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 53.12 1ofu s LEU 133 Cb 0.21 -1.78 0.07 0.00 0.03 0.00 0.00 46.19 44.72 1ofu s LEU 133 CO -0.09 0.07 0.50 -1.83 0.23 0.00 0.00 176.35 175.23 1ofu s GLU 134 N 0.93 0.47 0.88 1.70 -1.05 -1.26 -4.43 118.70 115.94 1ofu s GLU 134 Ca 0.00 0.98 -0.12 0.00 -0.15 0.00 0.00 54.97 55.68 1ofu s GLU 134 Cb -0.14 0.12 0.12 0.00 -0.44 0.00 0.00 34.13 33.79 1ofu s GLU 134 CO 0.01 -0.17 1.14 -1.25 0.95 0.00 0.00 175.26 175.94 1ofu s PRO 135 N 1.74 1.41 -0.08 -4.83 0.04 -1.26 -5.07 135.00 126.94 1ofu s PRO 135 Ca -0.08 0.32 -0.02 0.00 0.04 0.00 0.00 61.00 61.26 1ofu s PRO 135 Cb -0.08 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 32.62 1ofu s PRO 135 CO -0.15 -2.02 0.03 -1.17 0.04 0.00 0.00 177.00 173.73 1ofu s LEU 136 N -5.93 0.52 0.78 -3.56 2.96 -1.26 -5.13 118.68 107.07 1ofu s LEU 136 Ca 0.63 -0.15 -0.11 0.00 -0.22 0.00 0.00 54.13 54.27 1ofu s LEU 136 Cb -0.14 -0.37 0.06 0.00 0.50 0.00 0.00 46.19 46.24 1ofu s LEU 136 CO 0.53 -0.23 1.09 -0.94 -1.32 0.00 0.00 176.35 175.48 1ofu s SER 137 N 2.02 4.63 0.18 3.68 1.04 -1.26 -4.86 113.70 119.14 1ofu s SER 137 Ca 0.04 1.32 -0.12 0.00 0.48 0.00 0.00 55.95 57.67 1ofu s SER 137 Cb -0.13 -2.07 0.10 0.00 0.10 0.00 0.00 66.02 64.02 1ofu s SER 137 CO -0.05 -1.88 1.82 -0.09 0.98 0.00 0.00 173.24 174.02 1ofu h ARG 138 N -1.03 0.83 -0.16 4.02 2.43 -2.01 -0.91 114.38 117.56 1ofu h ARG 138 Ca -0.47 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 58.58 1ofu h ARG 138 Cb 1.26 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 1ofu h ARG 138 CO 0.59 0.59 -0.14 0.00 -1.51 0.00 0.00 179.97 179.51 1ofu h ALA 139 N 1.19 1.46 -0.27 2.80 0.00 -1.99 -1.75 119.26 120.70 1ofu h ALA 139 Ca 0.22 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1ofu h ALA 139 Cb -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ofu h ALA 139 CO -0.04 0.38 -0.01 0.00 0.00 0.00 0.00 179.25 179.58 1ofu h ALA 140 N 1.61 0.36 -0.30 0.00 0.00 -1.57 -0.82 119.26 118.54 1ofu h ALA 140 Ca 0.05 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1ofu h ALA 140 Cb 0.41 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1ofu h ALA 140 CO 0.02 0.10 -0.03 0.00 0.00 0.00 0.00 179.25 179.35 1ofu h ARG 141 N 0.25 0.46 -0.27 0.00 3.08 -0.97 -1.58 114.38 115.35 1ofu h ARG 141 Ca 0.07 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1ofu h ARG 141 Cb 0.43 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1ofu h ARG 141 CO 0.01 0.52 0.04 -0.22 -1.07 0.00 0.00 179.97 179.25 1ofu h LYS 142 N 0.44 0.46 -0.46 0.04 1.63 -1.05 -0.61 116.57 117.02 1ofu h LYS 142 Ca 0.09 -0.12 0.02 0.00 -0.85 0.00 0.00 60.65 59.79 1ofu h LYS 142 Cb 0.34 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.88 1ofu h LYS 142 CO 0.01 0.57 0.27 1.96 -3.45 0.00 0.00 179.45 178.82 1ofu h GLN 143 N 0.27 0.53 -0.46 1.90 4.20 -0.71 -0.93 115.11 119.91 1ofu h GLN 143 Ca 0.08 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1ofu h GLN 143 Cb 0.34 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1ofu h GLN 143 CO 0.01 0.35 0.23 -0.07 -0.67 0.00 0.00 178.83 178.68 1ofu h LEU 144 N 0.54 0.58 -1.29 1.46 3.38 -1.09 -1.00 115.31 117.90 1ofu h LEU 144 Ca 0.19 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1ofu h LEU 144 Cb 0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1ofu h LEU 144 CO -0.09 0.53 -0.35 0.77 0.09 0.00 0.00 178.44 179.40 1ofu h SER 145 N 0.59 0.00 -0.13 -0.43 4.64 -0.84 -0.60 113.55 116.79 1ofu h SER 145 Ca 0.16 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.26 1ofu h SER 145 Cb 0.09 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1ofu h SER 145 CO -0.02 0.35 -0.78 -0.09 -0.87 0.00 0.00 176.83 175.42 1ofu h ARG 146 N 0.00 0.75 -0.72 4.77 2.43 -0.80 -2.44 114.38 118.37 1ofu h ARG 146 Ca -0.00 -0.64 -0.07 0.00 -0.81 0.00 0.00 59.98 58.46 1ofu h ARG 146 Cb 0.66 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.32 1ofu h ARG 146 CO 0.05 1.24 0.18 0.00 -1.51 0.00 0.00 179.97 179.93 1ofu h ALA 147 N 0.52 0.95 -0.09 2.80 0.00 -0.87 -1.09 119.26 121.49 1ofu h ALA 147 Ca -0.06 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1ofu h ALA 147 Cb 1.42 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1ofu h ALA 147 CO 0.16 0.67 0.01 0.00 0.00 0.00 0.00 179.25 180.10 1ofu h ALA 148 N 1.10 0.08 -0.54 0.00 0.00 -1.07 -0.75 119.26 118.08 1ofu h ALA 148 Ca 0.23 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1ofu h ALA 148 Cb 0.37 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1ofu h ALA 148 CO 0.00 -0.45 0.35 1.96 0.00 0.00 0.00 179.25 181.10 1ofu h GLN 149 N 0.05 0.72 -0.83 0.00 4.20 -1.18 0.32 115.11 118.39 1ofu h GLN 149 Ca 0.04 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.72 1ofu h GLN 149 Cb 0.03 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 27.61 1ofu h GLN 149 CO -0.05 0.49 0.53 -0.07 -0.67 0.00 0.00 178.83 179.06 1ofu h LEU 150 N 0.73 0.89 -1.18 1.46 3.38 -0.86 -1.63 115.31 118.11 1ofu h LEU 150 Ca 0.20 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1ofu h LEU 150 Cb -0.06 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1ofu h LEU 150 CO -0.04 0.62 0.00 0.61 0.09 0.00 0.00 178.44 179.72 1ofu n GLY 151 N -1.33 0.35 3.79 0.83 0.00 -0.32 -4.90 105.19 103.62 1ofu n GLY 151 Ca 0.10 -0.44 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 1ofu n GLY 151 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ofu n GLN 152 N 0.39 -4.77 -4.43 1.61 6.02 0.69 -4.36 117.38 112.54 1ofu n GLN 152 Ca 0.17 0.58 -0.22 0.00 -0.01 0.00 0.00 57.00 57.51 1ofu n GLN 152 Cb 0.35 -5.14 -0.09 0.00 1.02 0.00 0.00 30.24 26.38 1ofu n GLN 152 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ofu s ALA 153 N -3.64 2.45 -0.15 -1.58 0.00 0.78 -4.92 121.76 114.70 1ofu s ALA 153 Ca 0.14 -1.56 -0.04 0.00 0.00 0.00 0.00 51.96 50.50 1ofu s ALA 153 Cb -0.07 0.95 -0.03 0.00 0.00 0.00 0.00 23.12 23.97 1ofu s ALA 153 CO 0.83 -0.42 -0.01 -0.65 0.00 0.00 0.00 175.76 175.51 1ofu s GLN 154 N -3.73 3.65 -0.23 0.00 -1.52 0.10 -3.54 119.66 114.39 1ofu s GLN 154 Ca 0.30 -0.46 -0.08 0.00 -1.95 0.00 0.00 55.36 53.17 1ofu s GLN 154 Cb 0.04 -2.97 -0.04 0.00 -0.22 0.00 0.00 33.01 29.82 1ofu s GLN 154 CO 0.17 0.32 0.10 0.45 -0.25 0.00 0.00 175.29 176.08 1ofu s SER 155 N 0.17 5.57 -0.16 5.90 0.15 -0.37 -1.10 113.70 123.87 1ofu s SER 155 Ca 0.00 -0.03 -0.00 0.00 0.70 0.00 0.00 55.95 56.62 1ofu s SER 155 Cb -0.13 -1.99 0.04 0.00 -1.71 0.00 0.00 66.02 62.22 1ofu s SER 155 CO 0.02 0.05 -0.07 -0.22 1.20 0.00 0.00 173.24 174.22 1ofu s LEU 156 N 1.11 1.63 -0.13 3.45 2.96 -0.85 -0.72 118.68 126.13 1ofu s LEU 156 Ca 0.05 -0.60 -0.06 0.00 -0.22 0.00 0.00 54.13 53.30 1ofu s LEU 156 Cb -0.14 -0.97 -0.04 0.00 0.50 0.00 0.00 46.19 45.54 1ofu s LEU 156 CO 0.04 -0.15 0.10 0.21 -1.32 0.00 0.00 176.35 175.23 1ofu s ASN 157 N 1.60 6.04 -0.14 3.68 2.47 -0.22 -0.65 114.94 127.73 1ofu s ASN 157 Ca 0.02 0.33 0.02 0.00 0.42 0.00 0.00 52.86 53.65 1ofu s ASN 157 Cb -0.15 -1.93 0.00 0.00 -1.45 0.00 0.00 41.25 37.72 1ofu s ASN 157 CO -0.08 0.35 -0.19 -0.63 -3.72 0.00 0.00 177.10 172.83 1ofu s ILE 158 N -0.71 2.39 -0.29 -5.21 1.01 0.79 -0.55 121.20 118.63 1ofu s ILE 158 Ca 0.13 -0.88 -0.03 0.00 0.00 0.00 0.00 60.65 59.87 1ofu s ILE 158 Cb -0.12 -1.98 0.04 0.00 0.01 0.00 0.00 42.46 40.41 1ofu s ILE 158 CO 0.03 0.54 0.01 -0.13 0.00 0.00 0.00 174.94 175.39 1ofu s ARG 159 N 0.68 2.67 0.00 2.79 0.52 0.12 -3.96 118.95 121.77 1ofu s ARG 159 Ca -0.09 -1.11 0.24 0.00 -0.52 0.00 0.00 55.73 54.25 1ofu s ARG 159 Cb -0.16 -3.21 0.44 0.00 0.52 0.00 0.00 34.95 32.55 1ofu s ARG 159 CO 0.02 -0.54 1.40 1.28 0.02 0.00 0.00 175.30 177.48 1ofu n LEU 160 N 4.71 2.70 0.00 2.53 4.77 -1.26 -1.00 117.00 129.44 1ofu n LEU 160 Ca -0.14 -0.97 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 1ofu n LEU 160 Cb 0.45 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1ofu n LEU 160 CO 0.28 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.44