#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h35 s GLN 35 N 0.00 4.13 0.69 3.49 0.74 -1.26 -5.01 119.66 122.44 3h35 s GLN 35 Ca 0.00 2.58 -0.06 0.00 0.05 0.00 0.00 55.36 57.93 3h35 s GLN 35 Cb 0.00 -3.06 0.06 0.00 1.10 0.00 0.00 33.01 31.11 3h35 s GLN 35 CO 0.00 -0.69 1.00 -1.54 -0.55 0.00 0.00 175.29 173.51 3h35 s SER 36 N 0.87 4.88 0.07 6.67 1.04 -1.26 -4.90 113.70 121.08 3h35 s SER 36 Ca 0.69 0.46 -0.19 0.00 0.48 0.00 0.00 55.95 57.40 3h35 s SER 36 Cb -0.49 -1.14 -0.10 0.00 0.10 0.00 0.00 66.02 64.39 3h35 s SER 36 CO 0.39 -1.55 1.46 0.58 0.98 0.00 0.00 173.24 175.10 3h35 h VAL 37 N -0.55 1.29 -0.89 5.02 2.07 -1.99 0.41 116.25 121.60 3h35 h VAL 37 Ca -0.44 -1.08 0.02 0.00 0.82 0.00 0.00 66.70 66.02 3h35 h VAL 37 Cb 1.31 1.52 -0.05 0.00 -1.52 0.00 0.00 31.29 32.56 3h35 h VAL 37 CO 0.60 0.33 0.59 -0.65 0.02 0.00 0.00 177.57 178.46 3h35 h PRO 38 N 0.18 1.13 -0.32 1.57 0.11 -1.99 -0.77 132.00 131.90 3h35 h PRO 38 Ca 0.06 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 3h35 h PRO 38 Cb 0.53 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 3h35 h PRO 38 CO 0.02 0.74 -0.11 1.96 -0.21 0.00 0.00 178.00 180.41 3h35 h GLN 39 N 1.16 0.54 -0.12 1.05 4.20 -1.86 -0.73 115.11 119.36 3h35 h GLN 39 Ca 0.34 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 3h35 h GLN 39 Cb -0.06 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 3h35 h GLN 39 CO -0.09 0.65 0.04 0.00 -0.67 0.00 0.00 178.83 178.76 3h35 h ALA 40 N 1.38 0.15 -0.43 3.87 0.00 -0.05 -3.09 119.26 121.09 3h35 h ALA 40 Ca 0.09 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.96 3h35 h ALA 40 Cb 0.49 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 3h35 h ALA 40 CO 0.03 -0.24 0.07 0.37 0.00 0.00 0.00 179.25 179.48 3h35 h GLN 41 N 0.01 0.19 -1.28 0.00 4.15 -0.94 0.18 115.11 117.42 3h35 h GLN 41 Ca 0.04 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3h35 h GLN 41 Cb 0.20 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.85 3h35 h GLN 41 CO -0.00 0.13 0.00 2.41 -1.93 0.00 0.00 178.83 179.44 3h35 n THR 42 N -5.12 0.05 0.00 2.39 -1.04 -0.30 -1.41 114.28 108.86 3h35 n THR 42 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 3h35 n THR 42 Cb 0.21 -0.37 0.00 0.00 -1.82 0.00 0.00 70.33 68.35 3h35 n THR 42 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3h35 n LEU 44 N 0.79 0.00 -0.15 -4.42 4.77 0.63 -0.75 117.00 117.86 3h35 n LEU 44 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 3h35 n LEU 44 Cb 0.03 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.13 3h35 n LEU 44 CO 0.00 0.00 1.01 0.58 -1.33 0.00 0.00 177.39 177.65 3h35 h VAL 45 N 0.00 1.15 -0.10 4.08 2.07 -1.49 -2.07 116.25 119.89 3h35 h VAL 45 Ca 0.00 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 3h35 h VAL 45 Cb 0.00 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3h35 h VAL 45 CO 0.00 0.16 0.04 -0.08 0.02 0.00 0.00 177.57 177.71 3h35 h GLU 46 N 0.58 0.16 -0.01 1.57 4.57 -1.19 0.20 114.58 120.45 3h35 h GLU 46 Ca 0.16 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.22 3h35 h GLU 46 Cb 0.04 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 3h35 h GLU 46 CO -0.03 0.29 -0.42 0.07 -1.18 0.00 0.00 179.01 177.75 3h35 h ARG 47 N -0.01 0.02 0.03 1.92 0.11 -1.75 -1.55 114.38 113.14 3h35 h ARG 47 Ca 0.03 -0.01 -0.30 0.00 0.10 0.00 0.00 59.98 59.80 3h35 h ARG 47 Cb 0.19 -0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.23 3h35 h ARG 47 CO -0.00 0.43 -1.74 0.45 0.10 0.00 0.00 179.97 179.21 3h35 h HIS 48 N 0.02 0.10 0.00 4.08 3.86 -1.23 -3.43 115.15 118.55 3h35 h HIS 48 Ca -0.00 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 3h35 h HIS 48 Cb 0.74 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.21 3h35 h HIS 48 CO 0.00 1.15 -1.10 1.28 0.86 0.00 0.00 177.93 180.13 3h35 n LEU 49 N -3.14 0.02 0.21 2.43 4.77 0.68 -4.74 117.00 117.24 3h35 n LEU 49 Ca -0.19 -0.06 0.06 0.00 -0.03 0.00 0.00 56.01 55.79 3h35 n LEU 49 Cb 1.05 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 42.61 3h35 n LEU 49 CO 0.45 0.01 0.80 0.00 -1.33 0.00 0.00 177.39 177.32 3h35 h ALA 50 N 0.45 1.32 -0.45 -1.18 0.00 -1.34 -3.06 119.26 115.01 3h35 h ALA 50 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3h35 h ALA 50 Cb 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3h35 h ALA 50 CO 0.00 0.36 0.00 -1.13 0.00 0.00 0.00 179.25 178.48 3h35 n SER 51 N -3.90 4.02 -4.76 0.00 3.41 -1.26 -4.95 113.62 106.18 3h35 n SER 51 Ca -0.02 -2.50 -0.40 0.00 -0.26 0.00 0.00 58.87 55.69 3h35 n SER 51 Cb 0.36 -0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 63.72 3h35 n SER 51 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3h35 s LEU 52 N -1.73 4.50 0.96 1.04 1.43 -1.16 -5.03 118.68 118.69 3h35 s LEU 52 Ca 0.38 2.44 -0.12 0.00 -1.03 0.00 0.00 54.13 55.81 3h35 s LEU 52 Cb 0.27 -3.63 0.17 0.00 0.03 0.00 0.00 46.19 43.02 3h35 s LEU 52 CO 0.15 -0.32 1.09 0.42 0.23 0.00 0.00 176.35 177.92 3h35 s THR 53 N -1.08 2.42 0.21 5.49 -4.23 -1.26 -4.81 115.64 112.37 3h35 s THR 53 Ca 0.47 0.13 -0.11 0.00 -1.18 0.00 0.00 61.69 61.00 3h35 s THR 53 Cb -0.35 -2.50 0.16 0.00 1.34 0.00 0.00 72.50 71.15 3h35 s THR 53 CO 0.46 -0.18 1.69 1.23 -0.54 0.00 0.00 174.62 177.28 3h35 h GLY 54 N -1.81 0.67 0.81 3.99 0.00 -1.99 -0.33 103.07 104.41 3h35 h GLY 54 Ca -0.52 0.02 0.04 0.00 0.00 0.00 0.00 47.33 46.88 3h35 h GLY 54 CO 0.53 -0.14 0.46 -0.55 0.00 0.00 0.00 176.54 176.84 3h35 h ASP 55 N 0.18 0.75 -0.23 0.19 3.32 -1.93 -1.19 116.42 117.51 3h35 h ASP 55 Ca 0.30 0.01 -0.18 0.00 0.02 0.00 0.00 57.03 57.18 3h35 h ASP 55 Cb 0.46 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3h35 h ASP 55 CO -0.44 0.50 -0.55 -0.33 -1.72 0.00 0.00 179.24 176.70 3h35 h GLU 56 N 0.89 0.78 -0.83 3.56 5.08 -1.77 -0.72 114.58 121.57 3h35 h GLU 56 Ca 0.31 -0.53 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 3h35 h GLU 56 Cb 0.08 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 3h35 h GLU 56 CO -0.13 1.16 0.44 0.00 -1.00 0.00 0.00 179.01 179.47 3h35 h ALA 57 N 0.62 1.06 -0.19 3.43 0.00 -0.87 0.19 119.26 123.51 3h35 h ALA 57 Ca -0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3h35 h ALA 57 Cb 1.17 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3h35 h ALA 57 CO 0.12 0.58 -0.07 0.00 0.00 0.00 0.00 179.25 179.88 3h35 h ARG 58 N 1.16 0.38 -0.34 0.00 3.08 -1.07 -1.47 114.38 116.11 3h35 h ARG 58 Ca 0.29 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 60.21 3h35 h ARG 58 Cb 0.05 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 3h35 h ARG 58 CO -0.04 0.66 0.15 1.25 -1.07 0.00 0.00 179.97 180.92 3h35 h LEU 59 N 0.08 0.19 -0.92 3.04 5.85 -0.71 -0.74 115.31 122.11 3h35 h LEU 59 Ca 0.04 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 3h35 h LEU 59 Cb 0.54 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 3h35 h LEU 59 CO 0.02 0.15 0.19 0.25 -0.34 0.00 0.00 178.44 178.71 3h35 h LEU 60 N 0.31 0.91 -0.39 2.25 5.85 -0.58 0.09 115.31 123.75 3h35 h LEU 60 Ca 0.15 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3h35 h LEU 60 Cb 0.09 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 3h35 h LEU 60 CO -0.13 0.86 0.21 0.00 -0.34 0.00 0.00 178.44 179.05 3h35 h ALA 61 N 1.26 0.49 -0.35 1.25 0.00 -1.00 0.33 119.26 121.23 3h35 h ALA 61 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3h35 h ALA 61 Cb 0.29 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3h35 h ALA 61 CO -0.01 -0.13 0.23 0.00 0.00 0.00 0.00 179.25 179.34 3h35 h ALA 62 N 1.19 0.45 -0.31 0.00 0.00 -0.62 -1.83 119.26 118.14 3h35 h ALA 62 Ca 0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3h35 h ALA 62 Cb 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3h35 h ALA 62 CO -0.09 -0.08 0.08 -0.07 0.00 0.00 0.00 179.25 179.10 3h35 h LEU 63 N 0.47 0.40 -1.31 0.00 3.38 -0.41 -1.48 115.31 116.37 3h35 h LEU 63 Ca 0.13 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3h35 h LEU 63 Cb -0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3h35 h LEU 63 CO -0.03 0.40 -0.17 0.77 0.09 0.00 0.00 178.44 179.51 3h35 h SER 64 N 0.44 0.00 0.64 -0.43 4.64 0.45 -1.02 113.55 118.27 3h35 h SER 64 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3h35 h SER 64 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3h35 h SER 64 CO -0.01 0.17 0.00 0.47 -0.87 0.00 0.00 176.83 176.59 3h35 n ASP 65 N -3.37 0.00 0.00 4.97 8.00 -0.57 -4.87 116.55 120.71 3h35 n ASP 65 Ca -0.00 0.49 0.00 0.00 0.71 0.00 0.00 54.79 55.99 3h35 n ASP 65 Cb 0.38 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 3h35 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h35 n GLY 66 N 0.44 0.47 3.77 0.44 0.00 -0.39 -5.09 105.19 104.83 3h35 n GLY 66 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3h35 n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h35 s SER 67 N -2.32 5.75 0.13 1.61 0.01 -1.12 -5.01 113.70 112.76 3h35 s SER 67 Ca 0.00 2.31 0.08 0.00 1.31 0.00 0.00 55.95 59.65 3h35 s SER 67 Cb 0.00 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 3h35 s SER 67 CO 0.00 -1.21 -0.18 0.00 0.41 0.00 0.00 173.24 172.26 3h35 s ALA 68 N -1.62 1.82 0.12 1.44 0.00 -1.26 -4.37 121.76 117.89 3h35 s ALA 68 Ca 0.70 -1.36 0.01 0.00 0.00 0.00 0.00 51.96 51.32 3h35 s ALA 68 Cb -0.28 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 3h35 s ALA 68 CO 0.32 0.25 -0.03 -0.06 0.00 0.00 0.00 175.76 176.25 3h35 s PHE 69 N -1.74 0.96 0.32 0.00 0.08 -0.95 -4.96 117.98 111.68 3h35 s PHE 69 Ca 0.11 -0.99 -0.29 0.00 0.12 0.00 0.00 56.93 55.87 3h35 s PHE 69 Cb -0.07 -0.56 -0.10 0.00 -0.57 0.00 0.00 43.02 41.72 3h35 s PHE 69 CO 0.05 -0.23 1.29 0.00 -0.10 0.00 0.00 175.22 176.24 3h35 s ALA 70 N -3.70 3.50 -0.04 5.36 0.00 -1.26 -0.41 121.76 125.21 3h35 s ALA 70 Ca 0.16 1.22 0.01 0.00 0.00 0.00 0.00 51.96 53.36 3h35 s ALA 70 Cb 0.06 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 19.73 3h35 s ALA 70 CO -0.02 -0.59 -0.06 -1.17 0.00 0.00 0.00 175.76 173.92 3h35 s LEU 71 N -1.61 1.51 -0.21 0.00 2.96 -0.71 -4.28 118.68 116.34 3h35 s LEU 71 Ca 0.49 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 3h35 s LEU 71 Cb -0.39 -0.47 0.02 0.00 0.50 0.00 0.00 46.19 45.86 3h35 s LEU 71 CO 0.51 -0.01 -0.14 -0.22 -1.32 0.00 0.00 176.35 175.16 3h35 s LEU 72 N 0.64 2.60 -0.08 -0.68 2.96 0.39 0.07 118.68 124.59 3h35 s LEU 72 Ca -0.09 -0.78 0.04 0.00 -0.22 0.00 0.00 54.13 53.08 3h35 s LEU 72 Cb -0.12 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 45.00 3h35 s LEU 72 CO 0.00 -0.05 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.89 3h35 s THR 73 N 1.29 2.51 -0.21 3.68 2.01 -0.53 -0.40 115.64 123.98 3h35 s THR 73 Ca 0.02 -0.89 -0.10 0.00 0.31 0.00 0.00 61.69 61.03 3h35 s THR 73 Cb -0.15 -1.97 -0.05 0.00 0.01 0.00 0.00 72.50 70.34 3h35 s THR 73 CO -0.09 0.56 0.13 -0.76 -0.69 0.00 0.00 174.62 173.77 3h35 s LEU 74 N -0.13 4.07 0.09 4.42 1.43 -0.08 -1.01 118.68 127.46 3h35 s LEU 74 Ca -0.03 0.14 0.08 0.00 -1.03 0.00 0.00 54.13 53.29 3h35 s LEU 74 Cb -0.14 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 3h35 s LEU 74 CO 0.04 0.13 -0.17 -0.31 0.23 0.00 0.00 176.35 176.27 3h35 s TYR 75 N 0.68 2.57 0.24 0.29 2.02 0.17 -0.02 117.35 123.30 3h35 s TYR 75 Ca 0.07 -0.25 0.16 0.00 -0.37 0.00 0.00 57.07 56.68 3h35 s TYR 75 Cb -0.12 -1.39 0.62 0.00 -0.40 0.00 0.00 41.96 40.66 3h35 s TYR 75 CO 0.01 0.36 1.72 0.66 -1.57 0.00 0.00 175.55 176.73 3h35 h SER 76 N 3.93 0.00 -3.64 2.29 4.64 -0.50 -0.96 113.55 119.31 3h35 h SER 76 Ca -0.49 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.69 3h35 h SER 76 Cb 1.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 3h35 h SER 76 CO 0.47 0.44 -0.09 0.61 -0.87 0.00 0.00 176.83 177.39 3h35 n GLY 77 N 0.10 3.70 3.81 -0.77 0.00 0.16 -3.27 105.19 108.93 3h35 n GLY 77 Ca -0.01 -2.23 -0.29 0.00 0.00 0.00 0.00 46.02 43.49 3h35 n GLY 77 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h35 s SER 78 N -1.66 3.79 0.54 1.61 1.04 -1.12 -3.16 113.70 114.73 3h35 s SER 78 Ca 0.02 0.93 0.21 0.00 0.48 0.00 0.00 55.95 57.59 3h35 s SER 78 Cb -0.00 -1.50 1.39 0.00 0.10 0.00 0.00 66.02 66.01 3h35 s SER 78 CO 0.01 -2.37 2.12 0.08 0.98 0.00 0.00 173.24 174.06 3h35 h ARG 79 N -1.37 0.00 -0.00 4.02 0.11 -1.95 0.80 114.38 115.98 3h35 h ARG 79 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 3h35 h ARG 79 Cb 1.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.41 3h35 h ARG 79 CO 0.63 0.00 -0.37 1.19 0.10 0.00 0.00 179.97 181.52 3h35 n PHE 80 N -4.37 0.00 -2.91 4.08 3.72 -1.26 -4.54 117.46 112.19 3h35 n PHE 80 Ca 0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.28 3h35 n PHE 80 Cb 0.24 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 3h35 n PHE 80 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3h35 n SER 81 N -1.01 -2.10 0.22 4.37 2.88 0.18 -5.04 113.62 113.12 3h35 n SER 81 Ca 0.09 -3.02 0.05 0.00 -1.33 0.00 0.00 58.87 54.67 3h35 n SER 81 Cb 0.34 1.06 0.49 0.00 -0.75 0.00 0.00 64.21 65.35 3h35 n SER 81 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3h35 h ARG 82 N 4.32 0.00 0.00 -1.46 2.47 -1.52 -2.97 114.38 115.22 3h35 h ARG 82 Ca -0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 3h35 h ARG 82 Cb 1.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.32 3h35 h ARG 82 CO 0.30 0.20 0.00 0.41 0.56 0.00 0.00 179.97 181.44 3h35 n GLY 83 N -0.95 2.65 3.68 0.04 0.00 -1.26 0.38 105.19 109.73 3h35 n GLY 83 Ca -0.02 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 3h35 n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h35 s GLU 84 N 0.00 2.67 0.02 1.61 2.02 -1.26 -4.84 118.70 118.92 3h35 s GLU 84 Ca 0.00 -0.72 -0.30 0.00 0.02 0.00 0.00 54.97 53.97 3h35 s GLU 84 Cb 0.00 -2.60 -0.06 0.00 0.10 0.00 0.00 34.13 31.56 3h35 s GLU 84 CO 0.00 0.58 1.48 0.08 0.02 0.00 0.00 175.26 177.42 3h35 s VAL 85 N -1.19 3.53 -0.02 2.63 1.01 -1.26 -0.48 120.40 124.61 3h35 s VAL 85 Ca 0.23 0.92 0.12 0.00 0.00 0.00 0.00 61.98 63.25 3h35 s VAL 85 Cb -0.12 -3.59 -0.19 0.00 0.00 0.00 0.00 36.38 32.49 3h35 s VAL 85 CO 0.14 -0.01 0.25 0.18 0.00 0.00 0.00 175.10 175.67 3h35 n LEU 86 N 5.50 0.00 -3.64 3.92 4.77 0.97 -4.95 117.00 123.58 3h35 n LEU 86 Ca 0.14 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.07 3h35 n LEU 86 Cb 0.43 0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 3h35 n LEU 86 CO 0.60 0.02 1.04 -0.47 -1.33 0.00 0.00 177.39 177.25 3h35 s TYR 87 N -2.80 -0.16 0.01 -1.77 5.04 -1.18 -4.96 117.35 111.52 3h35 s TYR 87 Ca -0.05 0.34 0.03 0.00 -2.44 0.00 0.00 57.07 54.96 3h35 s TYR 87 Cb 0.07 0.46 -0.01 0.00 0.35 0.00 0.00 41.96 42.84 3h35 s TYR 87 CO 0.51 -0.10 -0.09 1.03 -1.34 0.00 0.00 175.55 175.56 3h35 s ARG 88 N -0.39 0.65 0.01 4.97 0.52 -1.26 -0.90 118.95 122.55 3h35 s ARG 88 Ca 0.06 -0.44 -0.01 0.00 -0.52 0.00 0.00 55.73 54.82 3h35 s ARG 88 Cb -0.03 -0.60 -0.01 0.00 0.52 0.00 0.00 34.95 34.83 3h35 s ARG 88 CO -0.10 0.15 0.00 -0.47 0.02 0.00 0.00 175.30 174.91 3h35 s TYR 89 N -0.51 0.10 -0.01 -0.53 5.04 0.46 -4.13 117.35 117.77 3h35 s TYR 89 Ca 0.00 -0.20 -0.04 0.00 -2.44 0.00 0.00 57.07 54.39 3h35 s TYR 89 Cb -0.05 -0.08 -0.00 0.00 0.35 0.00 0.00 41.96 42.18 3h35 s TYR 89 CO 0.00 -0.09 0.08 0.45 -1.34 0.00 0.00 175.55 174.65 3h35 s SER 90 N -0.65 0.03 -0.13 4.32 0.15 -1.26 -0.46 113.70 115.69 3h35 s SER 90 Ca -0.07 -0.12 0.10 0.00 0.70 0.00 0.00 55.95 56.57 3h35 s SER 90 Cb -0.04 0.18 0.53 0.00 -1.71 0.00 0.00 66.02 64.98 3h35 s SER 90 CO -0.00 -0.22 1.35 -0.46 1.20 0.00 0.00 173.24 175.10 3h35 n ASN 91 N 2.10 3.92 -0.29 5.45 6.94 -1.26 -4.70 115.26 127.42 3h35 n ASN 91 Ca -0.19 -2.51 0.06 0.00 -0.02 0.00 0.00 54.58 51.92 3h35 n ASN 91 Cb 0.57 -0.57 0.13 0.00 -2.36 0.00 0.00 39.78 37.55 3h35 n ASN 91 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3h35 n ALA 92 N 0.52 0.23 -0.72 -2.53 0.00 -1.26 -4.73 120.51 112.02 3h35 n ALA 92 Ca 0.18 0.89 0.00 0.00 0.00 0.00 0.00 53.44 54.52 3h35 n ALA 92 Cb 0.81 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.70 3h35 n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h35 n GLY 93 N -1.50 2.59 0.36 0.00 0.00 -1.26 -3.09 105.19 102.29 3h35 n GLY 93 Ca 0.14 -0.31 -0.04 0.00 0.00 0.00 0.00 46.02 45.81 3h35 n GLY 93 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3h35 h ARG 94 N 0.00 1.25 -0.18 1.61 3.08 -1.85 0.34 114.38 118.63 3h35 h ARG 94 Ca 0.00 -0.16 0.05 0.00 0.07 0.00 0.00 59.98 59.94 3h35 h ARG 94 Cb 0.00 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 3h35 h ARG 94 CO 0.00 0.93 0.16 0.00 -1.07 0.00 0.00 179.97 179.99 3h35 h ALA 95 N 1.26 1.95 -0.23 0.04 0.00 -1.92 0.14 119.26 120.50 3h35 h ALA 95 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3h35 h ALA 95 Cb 0.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3h35 h ALA 95 CO -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 179.25 178.95 3h35 n ALA 96 N -2.44 2.42 -0.82 0.00 0.00 -0.69 -4.97 120.51 114.01 3h35 n ALA 96 Ca 0.01 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.59 3h35 n ALA 96 Cb 0.29 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.99 3h35 n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h35 n GLY 97 N 1.26 0.52 3.60 0.00 0.00 0.49 -2.30 105.19 108.76 3h35 n GLY 97 Ca 0.15 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 3h35 n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h35 s ILE 98 N -2.00 4.62 0.04 -0.61 -1.09 0.03 -4.65 121.20 117.54 3h35 s ILE 98 Ca 0.00 1.12 -0.20 0.00 -2.23 0.00 0.00 60.65 59.34 3h35 s ILE 98 Cb 0.00 -4.30 -0.15 0.00 -1.58 0.00 0.00 42.46 36.43 3h35 s ILE 98 CO 0.00 -0.51 1.31 1.56 -1.23 0.00 0.00 174.94 176.07 3h35 h GLN 99 N 8.48 0.41 -3.46 2.79 4.20 -1.93 -3.36 115.11 122.24 3h35 h GLN 99 Ca -0.24 -0.24 -0.74 0.00 0.06 0.00 0.00 58.65 57.49 3h35 h GLN 99 Cb 1.08 0.02 -0.32 0.00 0.30 0.00 0.00 27.48 28.56 3h35 h GLN 99 CO 0.96 0.83 0.05 0.00 -0.67 0.00 0.00 178.83 180.01 3h35 h ASN 101 N 6.47 0.00 -0.15 0.00 -1.24 -2.00 -1.96 115.58 116.70 3h35 h ASN 101 Ca 0.14 0.00 0.04 0.00 0.71 0.00 0.00 56.30 57.19 3h35 h ASN 101 Cb 0.87 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.91 3h35 h ASN 101 CO 0.88 0.00 0.14 0.44 -1.29 0.00 0.00 177.43 177.60 3h35 h ASP 102 N 0.00 0.00 -0.41 1.15 3.32 -2.00 -2.97 116.42 115.51 3h35 h ASP 102 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3h35 h ASP 102 Cb 1.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.57 3h35 h ASP 102 CO -0.00 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.01 3h35 n PHE 103 N -4.04 0.78 -0.32 4.55 3.72 -0.74 -4.66 117.46 116.76 3h35 n PHE 103 Ca 0.01 -0.60 -0.02 0.00 -0.05 0.00 0.00 57.45 56.79 3h35 n PHE 103 Cb 0.26 -0.13 0.15 0.00 -0.94 0.00 0.00 39.48 38.82 3h35 n PHE 103 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 3h35 h ILE 104 N 2.50 1.24 -0.36 4.37 6.09 -1.66 0.12 117.51 129.80 3h35 h ILE 104 Ca 0.00 -0.47 -0.11 0.00 -1.37 0.00 0.00 64.86 62.91 3h35 h ILE 104 Cb 1.03 -0.07 -0.01 0.00 0.47 0.00 0.00 36.82 38.24 3h35 h ILE 104 CO 0.09 0.24 -0.23 0.00 -3.07 0.00 0.00 178.15 175.18 3h35 h ALA 105 N 1.40 0.94 -0.55 0.18 0.00 -1.83 -0.46 119.26 118.93 3h35 h ALA 105 Ca 0.33 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3h35 h ALA 105 Cb -0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3h35 h ALA 105 CO -0.07 0.61 0.07 -0.07 0.00 0.00 0.00 179.25 179.79 3h35 h LEU 106 N 0.61 0.90 -0.39 0.00 3.38 -1.51 -0.53 115.31 117.77 3h35 h LEU 106 Ca 0.09 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 3h35 h LEU 106 Cb 0.71 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3h35 h LEU 106 CO 0.05 0.95 0.07 1.88 0.09 0.00 0.00 178.44 181.49 3h35 h TYR 107 N 0.82 0.67 -0.56 1.13 0.05 -0.29 -1.30 116.97 117.50 3h35 h TYR 107 Ca 0.17 -0.09 -0.06 0.00 0.05 0.00 0.00 58.73 58.79 3h35 h TYR 107 Cb 0.44 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 3h35 h TYR 107 CO 0.03 0.67 0.11 -0.07 -1.05 0.00 0.00 178.16 177.84 3h35 h LEU 108 N 0.49 0.88 -0.29 3.88 3.38 -1.03 -0.69 115.31 121.92 3h35 h LEU 108 Ca 0.12 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.90 3h35 h LEU 108 Cb 0.35 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 3h35 h LEU 108 CO 0.01 0.91 -0.09 -1.13 0.09 0.00 0.00 178.44 178.22 3h35 h ASN 109 N 0.81 -0.33 -0.43 -0.43 -1.24 -0.86 -0.13 115.58 112.97 3h35 h ASN 109 Ca 0.17 0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.28 3h35 h ASN 109 Cb 0.39 0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.63 3h35 h ASN 109 CO 0.01 -0.12 0.27 -0.74 -1.29 0.00 0.00 177.43 175.56 3h35 h HIS 110 N -0.03 0.55 -0.29 0.67 2.76 -0.98 -1.49 115.15 116.34 3h35 h HIS 110 Ca 0.14 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.19 3h35 h HIS 110 Cb 0.25 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 3h35 h HIS 110 CO -0.30 0.37 -0.36 -0.07 -1.30 0.00 0.00 177.93 176.27 3h35 h LEU 111 N 0.57 0.69 -0.46 0.26 3.38 -0.66 -1.02 115.31 118.08 3h35 h LEU 111 Ca 0.16 -0.29 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 3h35 h LEU 111 Cb -0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3h35 h LEU 111 CO -0.03 0.98 -0.17 -0.26 0.09 0.00 0.00 178.44 179.05 3h35 h PHE 112 N 0.55 1.05 -0.21 1.13 0.04 -1.01 -1.63 116.94 116.85 3h35 h PHE 112 Ca 0.05 -0.25 -0.03 0.00 2.80 0.00 0.00 57.97 60.55 3h35 h PHE 112 Cb 0.88 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.76 3h35 h PHE 112 CO 0.04 1.04 0.00 0.00 -0.60 0.00 0.00 178.31 178.79 3h35 h ALA 113 N 0.86 1.61 -0.08 2.45 0.00 -0.93 -0.30 119.26 122.86 3h35 h ALA 113 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3h35 h ALA 113 Cb 0.73 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3h35 h ALA 113 CO 0.06 0.29 0.00 1.04 0.00 0.00 0.00 179.25 180.64 3h35 n GLN 114 N -4.36 1.40 -1.32 0.00 1.13 -0.42 -4.93 117.38 108.88 3h35 n GLN 114 Ca 0.00 -0.60 -0.11 0.00 -1.94 0.00 0.00 57.00 54.35 3h35 n GLN 114 Cb 0.19 -1.36 -0.05 0.00 0.11 0.00 0.00 30.24 29.13 3h35 n GLN 114 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3h35 n GLY 115 N 0.99 1.23 0.14 1.08 0.00 -0.12 -4.91 105.19 103.59 3h35 n GLY 115 Ca 0.16 -0.48 0.12 0.00 0.00 0.00 0.00 46.02 45.81 3h35 n GLY 115 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3h35 h LEU 116 N 0.00 0.00 -8.30 0.99 3.38 -1.51 -3.32 115.31 106.55 3h35 h LEU 116 Ca -0.23 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.57 3h35 h LEU 116 Cb 0.74 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.34 3h35 h LEU 116 CO 0.33 0.01 -0.68 0.68 0.09 0.00 0.00 178.44 178.87 3h35 s VAL 117 N -3.30 0.34 0.23 1.22 -7.23 -1.25 -1.19 120.40 109.23 3h35 s VAL 117 Ca 0.02 -1.84 0.06 0.00 -1.81 0.00 0.00 61.98 58.40 3h35 s VAL 117 Cb 0.09 -1.58 -0.05 0.00 0.56 0.00 0.00 36.38 35.40 3h35 s VAL 117 CO 0.75 -0.95 -0.06 0.27 -0.31 0.00 0.00 175.10 174.79 3h35 s ILE 118 N -3.85 1.43 -0.32 -0.62 -4.36 -0.18 -4.56 121.20 108.75 3h35 s ILE 118 Ca 0.09 -2.11 -0.08 0.00 -0.26 0.00 0.00 60.65 58.29 3h35 s ILE 118 Cb 0.07 -2.26 0.01 0.00 1.25 0.00 0.00 42.46 41.53 3h35 s ILE 118 CO -0.08 -0.42 0.13 0.00 0.24 0.00 0.00 174.94 174.80 3h35 s ALA 119 N -3.16 3.17 0.40 2.27 0.00 -1.26 -2.20 121.76 120.98 3h35 s ALA 119 Ca 0.26 -1.51 0.06 0.00 0.00 0.00 0.00 51.96 50.78 3h35 s ALA 119 Cb 0.03 -2.31 0.07 0.00 0.00 0.00 0.00 23.12 20.91 3h35 s ALA 119 CO 0.09 -1.04 0.56 -1.13 0.00 0.00 0.00 175.76 174.23 3h35 n SER 120 N 4.92 1.44 -4.71 0.00 3.41 0.12 -4.82 113.62 113.97 3h35 n SER 120 Ca -0.14 -2.05 -0.30 0.00 -0.26 0.00 0.00 58.87 56.12 3h35 n SER 120 Cb 0.48 -0.30 0.13 0.00 -0.26 0.00 0.00 64.21 64.26 3h35 n SER 120 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3h35 s ASP 121 N -3.48 3.62 0.08 4.04 1.01 -1.26 -0.44 116.67 120.23 3h35 s ASP 121 Ca 0.42 1.81 -0.35 0.00 0.71 0.00 0.00 52.55 55.14 3h35 s ASP 121 Cb -0.03 -2.43 -0.19 0.00 1.01 0.00 0.00 42.92 41.28 3h35 s ASP 121 CO 0.27 -2.59 0.85 0.33 0.21 0.00 0.00 175.17 174.23 3h35 n PHE 122 N -3.88 0.20 -4.16 4.23 7.35 -1.19 -3.61 117.46 116.41 3h35 n PHE 122 Ca 0.09 1.02 -0.34 0.00 -0.76 0.00 0.00 57.45 57.46 3h35 n PHE 122 Cb 0.53 -2.02 -0.15 0.00 0.35 0.00 0.00 39.48 38.19 3h35 n PHE 122 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 3h35 s THR 123 N -0.38 2.51 0.30 -2.13 2.01 -1.26 -4.98 115.64 111.70 3h35 s THR 123 Ca 0.80 -0.79 0.04 0.00 0.31 0.00 0.00 61.69 62.05 3h35 s THR 123 Cb -1.13 -2.08 0.29 0.00 0.01 0.00 0.00 72.50 69.59 3h35 s THR 123 CO 0.56 0.50 1.79 -0.08 -0.69 0.00 0.00 174.62 176.71 3h35 h GLU 124 N 7.85 0.81 0.00 4.92 4.57 -2.01 0.40 114.58 131.12 3h35 h GLU 124 Ca -0.42 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 3h35 h GLU 124 Cb 1.16 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 3h35 h GLU 124 CO 0.61 0.54 0.00 -1.13 -1.18 0.00 0.00 179.01 177.85 3h35 n SER 125 N -4.72 0.00 -0.99 1.04 3.41 -1.26 -1.07 113.62 110.03 3h35 n SER 125 Ca 0.22 0.33 0.10 0.00 -0.26 0.00 0.00 58.87 59.25 3h35 n SER 125 Cb 0.50 -0.42 0.26 0.00 -0.26 0.00 0.00 64.21 64.29 3h35 n SER 125 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3h35 n LEU 126 N -1.42 2.89 -0.34 1.04 4.77 0.13 -4.71 117.00 119.35 3h35 n LEU 126 Ca 0.06 -1.39 -0.08 0.00 -0.03 0.00 0.00 56.01 54.56 3h35 n LEU 126 Cb 0.18 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 40.90 3h35 n LEU 126 CO 0.15 0.70 0.53 -0.09 -1.33 0.00 0.00 177.39 177.35 3h35 h ARG 127 N 3.30 -0.07 0.00 3.23 2.43 -1.18 0.06 114.38 122.15 3h35 h ARG 127 Ca 0.00 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 3h35 h ARG 127 Cb 0.75 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 3h35 h ARG 127 CO 0.00 -0.05 -0.28 1.79 -1.51 0.00 0.00 179.97 179.92 3h35 h THR 128 N -0.08 1.03 -0.31 0.20 1.35 -1.85 -2.35 112.91 110.91 3h35 h THR 128 Ca 0.21 -1.03 -0.16 0.00 -0.55 0.00 0.00 66.41 64.88 3h35 h THR 128 Cb 0.51 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.51 3h35 h THR 128 CO -0.88 0.28 -0.44 0.44 -0.25 0.00 0.00 175.52 174.67 3h35 h ASP 129 N 0.00 0.85 -0.95 5.36 3.32 -1.36 -2.06 116.42 121.58 3h35 h ASP 129 Ca -0.00 -0.41 0.01 0.00 0.02 0.00 0.00 57.03 56.65 3h35 h ASP 129 Cb 0.56 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.82 3h35 h ASP 129 CO 0.04 1.17 0.63 1.88 -1.72 0.00 0.00 179.24 181.23 3h35 h TYR 130 N 0.63 1.19 -0.22 4.55 0.05 -0.87 0.71 116.97 123.01 3h35 h TYR 130 Ca 0.04 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.85 3h35 h TYR 130 Cb 1.01 -0.40 -0.01 0.00 1.01 0.00 0.00 36.73 38.34 3h35 h TYR 130 CO 0.06 0.75 0.13 0.93 -1.05 0.00 0.00 178.16 178.97 3h35 h GLU 131 N 1.28 0.31 -0.41 4.88 5.08 -1.32 -0.77 114.58 123.64 3h35 h GLU 131 Ca 0.35 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.74 3h35 h GLU 131 Cb -0.15 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 28.99 3h35 h GLU 131 CO -0.08 0.27 0.10 -0.07 -1.00 0.00 0.00 179.01 178.23 3h35 h LEU 132 N 0.26 0.04 -0.61 1.33 3.38 -0.91 -2.03 115.31 116.77 3h35 h LEU 132 Ca 0.08 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.15 3h35 h LEU 132 Cb 0.04 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 3h35 h LEU 132 CO -0.01 0.06 0.35 0.00 0.09 0.00 0.00 178.44 178.92 3h35 h GLU 134 N 0.67 0.00 0.00 0.00 5.08 -0.82 -1.02 114.58 118.49 3h35 h GLU 134 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3h35 h GLU 134 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3h35 h GLU 134 CO -0.14 0.27 0.00 0.78 -1.00 0.00 0.00 179.01 178.92 3h35 h GLY 135 N 1.36 0.00 -3.96 -3.84 0.00 -0.78 -3.45 103.07 92.41 3h35 h GLY 135 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.80 3h35 h GLY 135 CO 0.04 0.00 0.67 -0.35 0.00 0.00 0.00 176.54 176.89 3h35 s ASP 136 N -5.48 6.74 0.09 0.19 2.15 -0.39 -4.93 116.67 115.04 3h35 s ASP 136 Ca 0.08 2.69 -0.22 0.00 0.43 0.00 0.00 52.55 55.54 3h35 s ASP 136 Cb 0.08 -2.64 -0.12 0.00 -0.30 0.00 0.00 42.92 39.94 3h35 s ASP 136 CO 0.63 -0.58 1.67 -1.28 -0.17 0.00 0.00 175.17 175.44 3h35 h SER 137 N 3.71 0.14 -0.76 -0.34 0.87 -1.91 -2.16 113.55 113.10 3h35 h SER 137 Ca -0.48 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 59.97 3h35 h SER 137 Cb 1.22 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 63.11 3h35 h SER 137 CO 0.68 0.19 0.43 0.44 -0.53 0.00 0.00 176.83 178.05 3h35 h ASP 138 N 0.07 0.93 0.07 6.23 3.32 -1.96 -1.69 116.42 123.39 3h35 h ASP 138 Ca 0.04 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.02 3h35 h ASP 138 Cb 0.09 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3h35 h ASP 138 CO -0.01 0.74 -0.14 0.15 -1.72 0.00 0.00 179.24 178.27 3h35 h PHE 139 N 1.04 -0.35 -0.12 4.55 3.57 -1.84 -2.13 116.94 121.66 3h35 h PHE 139 Ca 0.27 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.69 3h35 h PHE 139 Cb 0.00 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 3h35 h PHE 139 CO -0.00 -0.20 -0.33 0.00 -2.23 0.00 0.00 178.31 175.54 3h35 h ARG 140 N -0.26 0.24 -0.62 1.11 2.47 -1.21 -0.33 114.38 115.77 3h35 h ARG 140 Ca 0.03 -0.09 -0.03 0.00 -1.26 0.00 0.00 59.98 58.62 3h35 h ARG 140 Cb 0.29 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.57 3h35 h ARG 140 CO -0.08 0.55 0.27 0.87 0.56 0.00 0.00 179.97 182.13 3h35 h LYS 141 N 0.21 0.92 -0.33 0.04 1.57 -1.23 -0.43 116.57 117.31 3h35 h LYS 141 Ca 0.03 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 3h35 h LYS 141 Cb 0.69 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 3h35 h LYS 141 CO 0.05 0.77 0.08 0.00 -0.57 0.00 0.00 179.45 179.78 3h35 h ALA 142 N 1.11 0.43 -0.38 3.86 0.00 -0.74 -0.48 119.26 123.07 3h35 h ALA 142 Ca 0.21 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3h35 h ALA 142 Cb 0.17 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 3h35 h ALA 142 CO -0.02 0.10 0.02 0.37 0.00 0.00 0.00 179.25 179.71 3h35 h GLN 143 N 0.38 0.12 -0.55 0.00 4.15 -0.94 -0.76 115.11 117.50 3h35 h GLN 143 Ca 0.10 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.45 3h35 h GLN 143 Cb 0.29 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 3h35 h GLN 143 CO 0.00 0.08 0.09 0.00 -1.93 0.00 0.00 178.83 177.07 3h35 h ALA 144 N 1.32 0.73 -0.25 3.38 0.00 -0.66 0.85 119.26 124.63 3h35 h ALA 144 Ca 0.18 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3h35 h ALA 144 Cb 0.25 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3h35 h ALA 144 CO -0.29 0.48 0.07 0.93 0.00 0.00 0.00 179.25 180.43 3h35 h GLU 145 N 0.81 0.16 -0.35 0.00 5.08 -0.76 -2.53 114.58 116.99 3h35 h GLU 145 Ca 0.17 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 3h35 h GLU 145 Cb 0.41 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3h35 h GLU 145 CO 0.01 0.11 -0.19 -0.07 -1.00 0.00 0.00 179.01 177.87 3h35 h LEU 146 N 0.17 0.65 -1.92 1.33 3.38 -0.61 -2.78 115.31 115.53 3h35 h LEU 146 Ca 0.11 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3h35 h LEU 146 Cb 0.10 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3h35 h LEU 146 CO -0.14 0.84 0.02 -0.61 0.09 0.00 0.00 178.44 178.65 3h35 h GLN 147 N 0.58 0.07 -0.87 1.13 4.15 -0.42 -0.20 115.11 119.56 3h35 h GLN 147 Ca 0.09 -0.01 0.16 0.00 0.77 0.00 0.00 58.65 59.67 3h35 h GLN 147 Cb 0.64 -0.02 -0.10 0.00 0.21 0.00 0.00 27.48 28.22 3h35 h GLN 147 CO 0.05 0.06 0.44 0.82 -1.93 0.00 0.00 178.83 178.27 3h35 h ILE 148 N 0.08 0.69 0.00 2.39 2.04 -1.29 -3.10 117.51 118.31 3h35 h ILE 148 Ca 0.02 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3h35 h ILE 148 Cb 0.02 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.13 3h35 h ILE 148 CO -0.00 0.11 -0.83 1.41 0.00 0.00 0.00 178.15 178.84 3h35 n HIS 149 N -4.89 0.00 -3.71 1.37 8.25 -0.84 -4.78 115.22 110.63 3h35 n HIS 149 Ca 0.18 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.36 3h35 n HIS 149 Cb 0.48 -0.09 -0.12 0.00 1.12 0.00 0.00 29.99 31.39 3h35 n HIS 149 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3h35 s LEU 150 N -2.91 3.36 0.27 2.41 1.43 -0.15 -4.99 118.68 118.10 3h35 s LEU 150 Ca 0.01 -3.38 0.25 0.00 -1.03 0.00 0.00 54.13 49.98 3h35 s LEU 150 Cb 0.07 -1.15 0.89 0.00 0.03 0.00 0.00 46.19 46.02 3h35 s LEU 150 CO 0.38 -0.14 1.76 1.55 0.23 0.00 0.00 176.35 180.12 3h35 h PRO 151 N 5.72 0.00 -0.06 1.29 0.13 -1.83 -2.60 132.00 134.65 3h35 h PRO 151 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3h35 h PRO 151 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3h35 h PRO 151 CO 0.57 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.97 3h35 n LYS 152 N -2.38 1.36 -1.54 0.86 4.76 -1.26 -4.97 118.16 114.98 3h35 n LYS 152 Ca 0.04 -0.53 -0.49 0.00 -2.87 0.00 0.00 58.31 54.45 3h35 n LYS 152 Cb 0.35 -1.39 -0.04 0.00 -1.84 0.00 0.00 35.03 32.12 3h35 n LYS 152 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3h35 n LEU 153 N -0.28 0.84 -4.32 -0.35 0.00 -0.98 -3.24 117.00 108.67 3h35 n LEU 153 Ca 0.17 1.15 -0.17 0.00 0.00 0.00 0.00 56.01 57.16 3h35 n LEU 153 Cb 0.21 -1.14 -0.10 0.00 0.00 0.00 0.00 43.42 42.39 3h35 n LEU 153 CO 0.13 -1.72 -0.39 -0.94 0.00 0.00 0.00 177.39 174.47 3h35 s SER 154 N -0.29 2.14 -0.10 1.96 1.04 -0.37 -4.90 113.70 113.19 3h35 s SER 154 Ca 0.71 -1.08 0.01 0.00 0.48 0.00 0.00 55.95 56.07 3h35 s SER 154 Cb -0.89 -0.06 -0.02 0.00 0.10 0.00 0.00 66.02 65.14 3h35 s SER 154 CO 0.55 -0.33 -0.12 -0.63 0.98 0.00 0.00 173.24 173.69 3h35 s ILE 155 N -3.21 3.20 -0.07 -1.02 1.01 -1.26 -0.65 121.20 119.20 3h35 s ILE 155 Ca 0.23 -0.64 0.04 0.00 0.00 0.00 0.00 60.65 60.28 3h35 s ILE 155 Cb 0.02 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 40.18 3h35 s ILE 155 CO 0.06 0.55 -0.18 -0.60 0.00 0.00 0.00 174.94 174.77 3h35 s ARG 156 N -0.13 2.15 -0.15 2.79 3.52 -0.18 -4.99 118.95 121.95 3h35 s ARG 156 Ca -0.01 -0.65 -0.29 0.00 -0.13 0.00 0.00 55.73 54.66 3h35 s ARG 156 Cb -0.14 -1.75 -0.00 0.00 -1.56 0.00 0.00 34.95 31.50 3h35 s ARG 156 CO 0.03 0.18 1.00 1.03 -0.81 0.00 0.00 175.30 176.73 3h35 s ARG 157 N 0.28 4.36 0.26 5.12 0.52 -1.26 -1.46 118.95 126.77 3h35 s ARG 157 Ca -0.11 1.35 0.04 0.00 -0.52 0.00 0.00 55.73 56.49 3h35 s ARG 157 Cb -0.15 -3.58 -0.02 0.00 0.52 0.00 0.00 34.95 31.73 3h35 s ARG 157 CO 0.04 -0.42 0.15 0.39 0.02 0.00 0.00 175.30 175.48 3h35 n GLU 158 N 5.48 0.50 -3.98 3.54 1.02 0.11 -3.16 120.64 124.15 3h35 n GLU 158 Ca 0.09 -2.41 -0.24 0.00 -0.02 0.00 0.00 57.16 54.59 3h35 n GLU 158 Cb 0.48 1.60 -0.17 0.00 -0.02 0.00 0.00 31.44 33.33 3h35 n GLU 158 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3h35 s THR 159 N -2.78 0.72 -0.08 2.62 2.01 0.41 -1.74 115.64 116.80 3h35 s THR 159 Ca 0.21 -0.13 -0.27 0.00 0.31 0.00 0.00 61.69 61.80 3h35 s THR 159 Cb 0.01 -0.77 -0.03 0.00 0.01 0.00 0.00 72.50 71.72 3h35 s THR 159 CO 0.15 0.30 0.87 -0.22 -0.69 0.00 0.00 174.62 175.03 3h35 s LEU 160 N 1.53 4.29 0.13 4.42 2.96 0.46 0.15 118.68 132.63 3h35 s LEU 160 Ca -0.00 1.39 -0.05 0.00 -0.22 0.00 0.00 54.13 55.24 3h35 s LEU 160 Cb -0.13 -3.35 -0.02 0.00 0.50 0.00 0.00 46.19 43.19 3h35 s LEU 160 CO -0.04 -0.28 0.16 -0.13 -1.32 0.00 0.00 176.35 174.74 3h35 s ARG 161 N 1.37 0.99 0.37 1.98 0.52 -0.93 -2.24 118.95 121.01 3h35 s ARG 161 Ca 0.44 -1.25 -0.27 0.00 -0.52 0.00 0.00 55.73 54.13 3h35 s ARG 161 Cb -0.19 0.31 -0.09 0.00 0.52 0.00 0.00 34.95 35.50 3h35 s ARG 161 CO 0.20 -0.32 1.27 -1.50 0.02 0.00 0.00 175.30 174.97 3h35 s ILE 162 N -3.98 2.77 0.68 1.52 2.07 -1.26 -1.01 121.20 121.99 3h35 s ILE 162 Ca 0.18 0.72 -0.08 0.00 -1.41 0.00 0.00 60.65 60.05 3h35 s ILE 162 Cb 0.05 -3.44 0.03 0.00 0.13 0.00 0.00 42.46 39.24 3h35 s ILE 162 CO -0.01 0.13 1.02 -0.94 -1.91 0.00 0.00 174.94 173.22 3h35 s SER 163 N -0.71 5.21 0.28 4.50 1.04 -0.33 -4.53 113.70 119.16 3h35 s SER 163 Ca 0.53 0.76 -0.01 0.00 0.48 0.00 0.00 55.95 57.71 3h35 s SER 163 Cb -0.37 -1.54 0.48 0.00 0.10 0.00 0.00 66.02 64.68 3h35 s SER 163 CO 0.48 -1.38 1.89 -0.65 0.98 0.00 0.00 173.24 174.56 3h35 h PRO 164 N -0.52 1.06 -0.35 4.02 0.11 -1.89 -0.49 132.00 133.95 3h35 h PRO 164 Ca -0.45 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 3h35 h PRO 164 Cb 1.28 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3h35 h PRO 164 CO 0.62 0.70 -0.01 -0.07 -0.21 0.00 0.00 178.00 179.03 3h35 h LEU 165 N 1.10 0.61 -0.50 2.35 3.38 -1.91 -0.83 115.31 119.51 3h35 h LEU 165 Ca 0.43 -0.32 0.08 0.00 0.09 0.00 0.00 57.88 58.16 3h35 h LEU 165 Cb 0.23 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 3h35 h LEU 165 CO -0.18 0.78 0.16 1.23 0.09 0.00 0.00 178.44 180.52 3h35 h GLY 166 N 0.43 0.66 0.98 0.83 0.00 -1.56 0.10 103.07 104.51 3h35 h GLY 166 Ca 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 3h35 h GLY 166 CO 0.02 -0.02 0.25 3.21 0.00 0.00 0.00 176.54 180.00 3h35 h ARG 167 N 0.32 0.77 -0.51 4.80 3.08 -0.92 0.44 114.38 122.36 3h35 h ARG 167 Ca 0.25 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 3h35 h ARG 167 Cb 0.29 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3h35 h ARG 167 CO -0.27 0.65 0.28 0.37 -1.07 0.00 0.00 179.97 179.93 3h35 h GLN 168 N 0.72 0.71 -0.48 0.04 4.15 -0.75 -2.31 115.11 117.18 3h35 h GLN 168 Ca 0.18 -0.08 -0.11 0.00 0.77 0.00 0.00 58.65 59.41 3h35 h GLN 168 Cb 0.14 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 3h35 h GLN 168 CO -0.02 0.55 -0.13 -0.07 -1.93 0.00 0.00 178.83 177.23 3h35 h LEU 169 N 0.68 0.90 -0.28 -2.39 3.38 -0.45 -0.43 115.31 116.72 3h35 h LEU 169 Ca 0.18 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.91 3h35 h LEU 169 Cb 0.05 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 3h35 h LEU 169 CO -0.03 1.03 -0.03 -0.25 0.09 0.00 0.00 178.44 179.25 3h35 h TRP 170 N 0.80 -0.06 -0.54 1.13 2.91 -0.76 -2.56 115.95 116.87 3h35 h TRP 170 Ca 0.13 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.14 3h35 h TRP 170 Cb 0.65 0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 29.35 3h35 h TRP 170 CO 0.04 -0.07 0.22 1.15 -1.03 0.00 0.00 178.44 178.74 3h35 h THR 171 N 0.05 1.22 0.00 2.65 2.02 -0.98 -0.36 112.91 117.51 3h35 h THR 171 Ca 0.13 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.64 3h35 h THR 171 Cb 0.19 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3h35 h THR 171 CO -0.25 0.26 0.00 0.18 0.37 0.00 0.00 175.52 176.08 3h35 n LEU 172 N -4.52 0.00 0.00 2.58 4.77 -0.21 -2.61 117.00 117.01 3h35 n LEU 172 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3h35 n LEU 172 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3h35 n LEU 172 CO 0.38 0.00 0.00 0.35 -1.33 0.00 0.00 177.39 176.79 3h35 n THR 174 N 0.64 0.00 0.00 -5.08 -2.24 -0.15 -5.07 114.28 102.39 3h35 n THR 174 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3h35 n THR 174 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3h35 n THR 174 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85