#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h35 s VAL 37 N 0.00 4.64 0.35 2.46 1.01 -1.26 -5.01 120.40 122.60 3h35 s VAL 37 Ca 0.00 2.00 -0.28 0.00 0.00 0.00 0.00 61.98 63.70 3h35 s VAL 37 Cb 0.00 -4.29 -0.12 0.00 0.00 0.00 0.00 36.38 31.97 3h35 s VAL 37 CO 0.00 0.28 1.40 -2.65 0.00 0.00 0.00 175.10 174.13 3h35 n PRO 38 N 3.13 2.40 -0.33 2.72 -0.02 -1.26 -4.85 135.00 136.79 3h35 n PRO 38 Ca 0.03 0.84 0.01 0.00 -2.02 0.00 0.00 63.50 62.36 3h35 n PRO 38 Cb 0.50 -2.51 0.07 0.00 -0.02 0.00 0.00 33.50 31.54 3h35 n PRO 38 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3h35 h GLN 39 N 2.92 -0.03 -0.49 -0.52 5.75 -2.00 -0.21 115.11 120.54 3h35 h GLN 39 Ca -0.48 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.06 3h35 h GLN 39 Cb 1.26 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.79 3h35 h GLN 39 CO 0.65 -0.02 0.33 0.00 -2.65 0.00 0.00 178.83 177.13 3h35 h ALA 40 N 1.53 1.82 -0.14 3.38 0.00 -2.05 -1.91 119.26 121.90 3h35 h ALA 40 Ca 0.37 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.16 3h35 h ALA 40 Cb 0.62 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3h35 h ALA 40 CO -0.92 0.11 -0.30 0.37 0.00 0.00 0.00 179.25 178.51 3h35 h GLN 41 N 0.50 0.45 -0.97 0.00 4.15 -1.43 -2.52 115.11 115.29 3h35 h GLN 41 Ca 0.20 -0.30 0.00 0.00 0.77 0.00 0.00 58.65 59.33 3h35 h GLN 41 Cb 0.18 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.91 3h35 h GLN 41 CO -0.05 0.90 0.00 2.41 -1.93 0.00 0.00 178.83 180.16 3h35 n THR 42 N -4.40 0.00 0.00 2.39 -1.04 -0.72 -0.73 114.28 109.79 3h35 n THR 42 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 3h35 n THR 42 Cb 0.47 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 3h35 n THR 42 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3h35 n LEU 44 N 0.67 0.00 -0.24 -4.42 7.94 -0.95 -0.30 117.00 119.71 3h35 n LEU 44 Ca 0.00 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.85 3h35 n LEU 44 Cb 0.00 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.00 3h35 n LEU 44 CO 0.00 0.00 1.15 0.58 -1.11 0.00 0.00 177.39 178.01 3h35 h VAL 45 N 0.00 1.17 -0.93 1.96 2.07 -1.20 -2.33 116.25 117.00 3h35 h VAL 45 Ca 0.00 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 3h35 h VAL 45 Cb 0.00 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 29.91 3h35 h VAL 45 CO 0.00 0.17 0.56 -0.33 0.02 0.00 0.00 177.57 177.98 3h35 h GLU 46 N 0.91 1.26 -0.67 1.57 5.08 -0.90 -0.40 114.58 121.43 3h35 h GLU 46 Ca 0.24 -0.11 0.13 0.00 -1.00 0.00 0.00 59.36 58.62 3h35 h GLU 46 Cb -0.11 -0.26 -0.09 0.00 0.50 0.00 0.00 28.75 28.79 3h35 h GLU 46 CO -0.05 0.88 0.19 -0.09 -1.00 0.00 0.00 179.01 178.94 3h35 h ARG 47 N 1.28 0.31 0.13 2.33 2.43 -1.66 -1.56 114.38 117.65 3h35 h ARG 47 Ca 0.33 -0.02 -0.28 0.00 -0.81 0.00 0.00 59.98 59.20 3h35 h ARG 47 Cb -0.05 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.43 3h35 h ARG 47 CO -0.06 0.21 -1.29 0.45 -1.51 0.00 0.00 179.97 177.76 3h35 h HIS 48 N 0.32 0.52 -0.36 2.20 3.86 -1.29 -2.95 115.15 117.44 3h35 h HIS 48 Ca 0.36 -0.38 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 3h35 h HIS 48 Cb 0.54 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.97 3h35 h HIS 48 CO -0.22 1.31 0.20 -0.07 0.86 0.00 0.00 177.93 180.01 3h35 h LEU 49 N 0.08 0.43 -0.29 2.43 3.38 -0.77 0.30 115.31 120.87 3h35 h LEU 49 Ca -0.15 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3h35 h LEU 49 Cb 1.99 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.63 3h35 h LEU 49 CO 0.20 0.35 0.00 0.00 0.09 0.00 0.00 178.44 179.08 3h35 h ALA 50 N 1.72 1.00 0.00 1.53 0.00 -1.17 -3.38 119.26 118.97 3h35 h ALA 50 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3h35 h ALA 50 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3h35 h ALA 50 CO -0.02 0.00 -0.34 -1.13 0.00 0.00 0.00 179.25 177.76 3h35 n SER 51 N -2.60 1.69 -4.62 0.00 3.41 -0.50 -5.03 113.62 105.97 3h35 n SER 51 Ca 0.04 -0.22 -0.41 0.00 -0.26 0.00 0.00 58.87 58.02 3h35 n SER 51 Cb 0.41 0.79 -0.06 0.00 -0.26 0.00 0.00 64.21 65.09 3h35 n SER 51 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3h35 s LEU 52 N -1.91 4.08 0.68 1.04 2.96 0.94 -5.06 118.68 121.40 3h35 s LEU 52 Ca 0.00 0.72 -0.14 0.00 -0.22 0.00 0.00 54.13 54.49 3h35 s LEU 52 Cb 0.00 -2.93 0.01 0.00 0.50 0.00 0.00 46.19 43.77 3h35 s LEU 52 CO 0.00 -0.44 1.10 0.42 -1.32 0.00 0.00 176.35 176.11 3h35 s THR 53 N 2.63 3.37 0.26 3.68 -4.23 -1.26 -4.82 115.64 115.26 3h35 s THR 53 Ca 0.28 0.59 -0.08 0.00 -1.18 0.00 0.00 61.69 61.29 3h35 s THR 53 Cb -0.15 -3.11 0.36 0.00 1.34 0.00 0.00 72.50 70.93 3h35 s THR 53 CO 0.09 -0.45 1.59 1.23 -0.54 0.00 0.00 174.62 176.55 3h35 h GLY 54 N -0.20 0.72 1.05 3.99 0.00 -1.99 0.36 103.07 107.00 3h35 h GLY 54 Ca -0.46 0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 3h35 h GLY 54 CO 0.54 -0.34 0.44 -0.55 0.00 0.00 0.00 176.54 176.63 3h35 h ASP 55 N 0.02 1.11 -0.35 0.19 3.32 -1.91 0.13 116.42 118.92 3h35 h ASP 55 Ca 0.43 -0.12 -0.16 0.00 0.02 0.00 0.00 57.03 57.20 3h35 h ASP 55 Cb 0.70 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 3h35 h ASP 55 CO -0.84 0.92 -0.39 -0.33 -1.72 0.00 0.00 179.24 176.88 3h35 h GLU 56 N 1.22 0.91 -0.45 3.56 5.08 -1.66 0.13 114.58 123.38 3h35 h GLU 56 Ca 0.30 -0.48 0.02 0.00 -1.00 0.00 0.00 59.36 58.20 3h35 h GLU 56 Cb 0.09 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 3h35 h GLU 56 CO -0.04 1.13 0.26 0.00 -1.00 0.00 0.00 179.01 179.36 3h35 h ALA 57 N 0.81 0.57 -0.52 3.43 0.00 -0.42 0.56 119.26 123.69 3h35 h ALA 57 Ca 0.06 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3h35 h ALA 57 Cb 0.98 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3h35 h ALA 57 CO 0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 179.25 179.28 3h35 h ARG 58 N 0.52 0.88 -0.49 0.00 3.08 -0.37 -1.43 114.38 116.57 3h35 h ARG 58 Ca 0.18 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 3h35 h ARG 58 Cb 0.02 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3h35 h ARG 58 CO -0.09 0.88 0.14 1.25 -1.07 0.00 0.00 179.97 181.08 3h35 h LEU 59 N 0.82 0.73 -0.88 3.04 5.85 -0.25 -1.75 115.31 122.87 3h35 h LEU 59 Ca 0.15 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3h35 h LEU 59 Cb 0.49 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 3h35 h LEU 59 CO 0.02 0.75 0.56 -0.07 -0.34 0.00 0.00 178.44 179.37 3h35 h LEU 60 N 0.66 0.91 -0.37 2.25 3.38 -0.58 -1.79 115.31 119.78 3h35 h LEU 60 Ca 0.16 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3h35 h LEU 60 Cb 0.30 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3h35 h LEU 60 CO -0.00 0.61 0.07 0.00 0.09 0.00 0.00 178.44 179.21 3h35 h ALA 61 N 1.38 0.50 -0.83 1.53 0.00 -0.92 0.64 119.26 121.55 3h35 h ALA 61 Ca 0.36 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3h35 h ALA 61 Cb 0.07 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3h35 h ALA 61 CO -0.14 0.20 0.53 0.00 0.00 0.00 0.00 179.25 179.84 3h35 h ALA 62 N 0.92 1.10 -0.21 0.00 0.00 -1.02 -2.71 119.26 117.33 3h35 h ALA 62 Ca 0.11 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3h35 h ALA 62 Cb 0.35 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3h35 h ALA 62 CO 0.01 0.36 -0.38 -0.07 0.00 0.00 0.00 179.25 179.16 3h35 h LEU 63 N 1.03 0.50 -1.78 0.00 3.38 -0.86 -2.99 115.31 114.60 3h35 h LEU 63 Ca 0.33 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3h35 h LEU 63 Cb 0.02 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3h35 h LEU 63 CO -0.12 0.84 -0.16 0.77 0.09 0.00 0.00 178.44 179.86 3h35 h SER 64 N 0.40 0.00 0.55 -0.43 4.64 -0.56 -0.39 113.55 117.76 3h35 h SER 64 Ca 0.04 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 3h35 h SER 64 Cb 0.85 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.94 3h35 h SER 64 CO 0.07 0.16 -0.03 0.44 -0.87 0.00 0.00 176.83 176.59 3h35 h ASP 65 N 0.00 0.00 0.00 4.97 5.19 -1.41 -3.46 116.42 121.71 3h35 h ASP 65 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3h35 h ASP 65 Cb 0.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.83 3h35 h ASP 65 CO 0.02 0.03 0.00 0.61 -3.12 0.00 0.00 179.24 176.78 3h35 n GLY 66 N -0.47 1.01 3.42 2.75 0.00 -0.16 -5.09 105.19 106.66 3h35 n GLY 66 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 3h35 n GLY 66 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3h35 n SER 67 N 0.00 -1.07 -3.96 1.61 7.64 -1.23 -4.98 113.62 111.62 3h35 n SER 67 Ca 0.00 1.01 -0.20 0.00 1.01 0.00 0.00 58.87 60.70 3h35 n SER 67 Cb 0.00 -1.03 -0.16 0.00 -1.01 0.00 0.00 64.21 62.01 3h35 n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h35 s ALA 68 N -1.27 0.77 0.25 -0.43 0.00 -1.26 -4.62 121.76 115.19 3h35 s ALA 68 Ca 0.62 -0.23 0.10 0.00 0.00 0.00 0.00 51.96 52.45 3h35 s ALA 68 Cb -0.75 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 21.99 3h35 s ALA 68 CO 0.59 0.09 -0.17 -0.06 0.00 0.00 0.00 175.76 176.20 3h35 s PHE 69 N 0.40 2.07 0.21 0.00 0.08 -0.73 -4.92 117.98 115.08 3h35 s PHE 69 Ca -0.06 -0.44 -0.30 0.00 0.12 0.00 0.00 56.93 56.25 3h35 s PHE 69 Cb -0.10 -0.93 -0.09 0.00 -0.57 0.00 0.00 43.02 41.33 3h35 s PHE 69 CO 0.00 0.57 1.32 0.00 -0.10 0.00 0.00 175.22 177.01 3h35 s ALA 70 N -2.70 3.54 -0.07 5.36 0.00 -1.26 -0.94 121.76 125.68 3h35 s ALA 70 Ca 0.27 1.13 0.02 0.00 0.00 0.00 0.00 51.96 53.38 3h35 s ALA 70 Cb -0.03 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.62 3h35 s ALA 70 CO 0.12 -0.56 -0.10 -1.17 0.00 0.00 0.00 175.76 174.05 3h35 s LEU 71 N -0.18 1.50 -0.13 0.00 2.96 -0.75 -3.86 118.68 118.22 3h35 s LEU 71 Ca 0.57 -0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 54.20 3h35 s LEU 71 Cb -0.37 -0.74 -0.03 0.00 0.50 0.00 0.00 46.19 45.55 3h35 s LEU 71 CO 0.39 -0.01 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.59 3h35 s LEU 72 N 0.89 3.13 -0.12 -0.68 1.43 0.65 -0.87 118.68 123.10 3h35 s LEU 72 Ca -0.11 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 3h35 s LEU 72 Cb -0.15 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.36 3h35 s LEU 72 CO 0.01 0.21 -0.16 -0.89 0.23 0.00 0.00 176.35 175.75 3h35 s THR 73 N 0.09 1.60 -0.16 5.49 2.01 -0.39 -0.86 115.64 123.41 3h35 s THR 73 Ca -0.02 -0.69 -0.14 0.00 0.31 0.00 0.00 61.69 61.15 3h35 s THR 73 Cb -0.14 -1.46 -0.05 0.00 0.01 0.00 0.00 72.50 70.86 3h35 s THR 73 CO 0.03 0.46 0.31 -0.76 -0.69 0.00 0.00 174.62 173.97 3h35 s LEU 74 N 1.08 4.24 0.14 4.42 1.43 -0.05 -1.14 118.68 128.81 3h35 s LEU 74 Ca -0.04 0.52 -0.05 0.00 -1.03 0.00 0.00 54.13 53.53 3h35 s LEU 74 Cb -0.14 -2.40 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 3h35 s LEU 74 CO -0.04 0.08 0.17 -0.72 0.23 0.00 0.00 176.35 176.07 3h35 s TYR 75 N 0.55 0.58 -0.08 0.29 1.13 0.06 -0.33 117.35 119.55 3h35 s TYR 75 Ca 0.17 -0.96 -0.30 0.00 -1.41 0.00 0.00 57.07 54.57 3h35 s TYR 75 Cb -0.13 -0.25 -0.04 0.00 -1.10 0.00 0.00 41.96 40.44 3h35 s TYR 75 CO 0.04 -0.61 1.43 0.45 -2.51 0.00 0.00 175.55 174.35 3h35 s SER 76 N -2.99 6.83 -0.19 -0.18 0.15 -1.09 -0.15 113.70 116.07 3h35 s SER 76 Ca 0.19 1.98 0.10 0.00 0.70 0.00 0.00 55.95 58.92 3h35 s SER 76 Cb 0.05 -2.54 0.60 0.00 -1.71 0.00 0.00 66.02 62.42 3h35 s SER 76 CO -0.00 -0.80 1.44 0.61 1.20 0.00 0.00 173.24 175.69 3h35 n GLY 77 N 3.79 2.70 3.77 9.45 0.00 -0.44 -4.21 105.19 120.25 3h35 n GLY 77 Ca 0.15 -0.69 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 3h35 n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h35 s SER 78 N -0.58 7.01 0.59 1.61 0.01 -1.26 -4.88 113.70 116.19 3h35 s SER 78 Ca 0.40 1.20 0.38 0.00 1.31 0.00 0.00 55.95 59.25 3h35 s SER 78 Cb 0.31 -2.37 1.92 0.00 0.21 0.00 0.00 66.02 66.09 3h35 s SER 78 CO 0.11 0.14 2.16 0.03 0.41 0.00 0.00 173.24 176.09 3h35 h ARG 79 N 5.37 0.00 -0.50 12.44 2.47 -1.99 -1.73 114.38 130.44 3h35 h ARG 79 Ca -0.46 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 3h35 h ARG 79 Cb 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.52 3h35 h ARG 79 CO 0.68 0.00 0.00 1.19 0.56 0.00 0.00 179.97 182.40 3h35 n PHE 80 N -2.99 0.66 -3.03 3.04 3.72 -1.26 -4.94 117.46 112.66 3h35 n PHE 80 Ca -0.01 -0.33 -0.19 0.00 -0.05 0.00 0.00 57.45 56.87 3h35 n PHE 80 Cb 0.16 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.71 3h35 n PHE 80 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3h35 s SER 81 N -1.31 5.66 0.00 4.37 1.04 -0.65 -4.99 113.70 117.81 3h35 s SER 81 Ca 0.42 -0.22 0.20 0.00 0.48 0.00 0.00 55.95 56.83 3h35 s SER 81 Cb 0.23 -0.90 1.04 0.00 0.10 0.00 0.00 66.02 66.49 3h35 s SER 81 CO 0.32 -0.77 1.69 -2.11 0.98 0.00 0.00 173.24 173.35 3h35 n ARG 82 N -1.93 1.21 -3.29 4.02 1.85 -1.26 -4.90 116.66 112.36 3h35 n ARG 82 Ca 0.06 -0.32 -0.18 0.00 -1.00 0.00 0.00 57.85 56.41 3h35 n ARG 82 Cb 0.59 -1.33 0.06 0.00 -1.05 0.00 0.00 32.46 30.73 3h35 n ARG 82 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3h35 n GLY 83 N 0.90 -0.17 3.76 2.89 0.00 -1.26 -4.96 105.19 106.35 3h35 n GLY 83 Ca 0.15 0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3h35 n GLY 83 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3h35 s GLU 84 N -5.94 2.88 0.18 1.61 1.03 -1.26 -4.35 118.70 112.85 3h35 s GLU 84 Ca 0.43 1.57 -0.30 0.00 0.03 0.00 0.00 54.97 56.69 3h35 s GLU 84 Cb -0.19 -1.95 -0.08 0.00 -0.80 0.00 0.00 34.13 31.11 3h35 s GLU 84 CO 0.53 -1.22 1.31 0.08 -1.33 0.00 0.00 175.26 174.63 3h35 s VAL 85 N -2.02 3.27 -0.04 1.83 1.01 -1.26 -2.69 120.40 120.50 3h35 s VAL 85 Ca 0.71 1.02 0.13 0.00 0.00 0.00 0.00 61.98 63.84 3h35 s VAL 85 Cb -0.24 -3.65 -0.19 0.00 0.00 0.00 0.00 36.38 32.29 3h35 s VAL 85 CO 0.37 0.14 0.23 0.18 0.00 0.00 0.00 175.10 176.02 3h35 n LEU 86 N 2.89 0.00 -3.62 3.92 4.77 0.56 -4.97 117.00 120.54 3h35 n LEU 86 Ca 0.07 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.97 3h35 n LEU 86 Cb 0.43 0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 3h35 n LEU 86 CO 0.58 0.07 0.83 -0.47 -1.33 0.00 0.00 177.39 177.07 3h35 s TYR 87 N -2.78 -0.36 0.05 -1.77 5.04 -1.19 -5.00 117.35 111.34 3h35 s TYR 87 Ca -0.05 0.79 0.04 0.00 -2.44 0.00 0.00 57.07 55.41 3h35 s TYR 87 Cb 0.07 0.41 -0.02 0.00 0.35 0.00 0.00 41.96 42.77 3h35 s TYR 87 CO 0.54 -0.22 -0.12 1.03 -1.34 0.00 0.00 175.55 175.44 3h35 s ARG 88 N -0.27 0.75 0.00 4.97 0.52 -1.26 -0.87 118.95 122.80 3h35 s ARG 88 Ca 0.03 -0.77 -0.05 0.00 -0.52 0.00 0.00 55.73 54.42 3h35 s ARG 88 Cb -0.03 -0.70 -0.00 0.00 0.52 0.00 0.00 34.95 34.74 3h35 s ARG 88 CO -0.05 0.16 0.09 -0.47 0.02 0.00 0.00 175.30 175.05 3h35 s TYR 89 N -1.05 0.09 0.14 -0.53 5.04 -0.04 -4.29 117.35 116.70 3h35 s TYR 89 Ca -0.02 -0.20 -0.13 0.00 -2.44 0.00 0.00 57.07 54.28 3h35 s TYR 89 Cb -0.09 -0.08 0.01 0.00 0.35 0.00 0.00 41.96 42.16 3h35 s TYR 89 CO 0.01 -0.24 0.34 0.45 -1.34 0.00 0.00 175.55 174.78 3h35 s SER 90 N -1.26 -0.09 -0.20 4.32 0.15 -1.26 -0.25 113.70 115.12 3h35 s SER 90 Ca -0.14 -0.56 0.16 0.00 0.70 0.00 0.00 55.95 56.11 3h35 s SER 90 Cb -0.08 0.45 0.56 0.00 -1.71 0.00 0.00 66.02 65.25 3h35 s SER 90 CO 0.01 -0.87 1.47 -0.46 1.20 0.00 0.00 173.24 174.59 3h35 n ASN 91 N -0.20 3.94 -0.37 5.45 6.94 -1.25 -4.69 115.26 125.07 3h35 n ASN 91 Ca -0.13 -3.09 0.01 0.00 -0.02 0.00 0.00 54.58 51.35 3h35 n ASN 91 Cb 0.63 -0.57 0.07 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 -0.48 -0.01 -0.75 -2.53 0.00 -1.26 -4.58 120.51 110.89 3h35 n ALA 92 Ca 0.24 1.00 0.00 0.00 0.00 0.00 0.00 53.44 54.68 3h35 n ALA 92 Cb 0.95 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.51 3.18 0.34 0.00 0.00 -1.26 -1.50 105.19 104.44 3h35 n GLY 93 Ca 0.12 -0.13 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 3h35 n GLY 93 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3h35 h ARG 94 N 0.00 1.14 -0.97 1.61 -0.00 -1.81 -1.14 114.38 113.21 3h35 h ARG 94 Ca 0.00 -0.07 0.15 0.00 -0.00 0.00 0.00 59.98 60.06 3h35 h ARG 94 Cb 0.00 -0.26 -0.16 0.00 -0.00 0.00 0.00 29.97 29.56 3h35 h ARG 94 CO 0.00 0.75 -0.37 0.00 -0.00 0.00 0.00 179.97 180.35 3h35 n ALA 95 N -2.34 -0.11 1.08 0.08 0.00 -0.56 0.11 120.51 118.77 3h35 n ALA 95 Ca 0.10 0.97 0.13 0.00 0.00 0.00 0.00 53.44 54.64 3h35 n ALA 95 Cb 0.03 -0.44 0.62 0.00 0.00 0.00 0.00 19.45 19.67 3h35 n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h35 n ALA 96 N -3.50 2.29 -1.88 0.00 0.00 -0.62 -4.91 120.51 111.89 3h35 n ALA 96 Ca 0.10 -0.11 -0.06 0.00 0.00 0.00 0.00 53.44 53.37 3h35 n ALA 96 Cb 0.39 -1.44 -0.01 0.00 0.00 0.00 0.00 19.45 18.39 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 1.17 0.30 3.66 0.00 0.00 0.30 -4.17 105.19 106.45 3h35 n GLY 97 Ca 0.09 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.27 3.77 0.15 -0.61 -1.09 -0.53 -4.89 121.20 115.73 3h35 s ILE 98 Ca 0.00 0.92 -0.01 0.00 -2.23 0.00 0.00 60.65 59.33 3h35 s ILE 98 Cb 0.00 -3.62 -0.16 0.00 -1.58 0.00 0.00 42.46 37.10 3h35 s ILE 98 CO 0.00 -0.12 1.35 1.56 -1.23 0.00 0.00 174.94 176.50 3h35 h GLN 99 N 9.42 0.31 -3.69 2.79 4.20 -1.93 -3.40 115.11 122.81 3h35 h GLN 99 Ca -0.35 -0.33 -0.65 0.00 0.06 0.00 0.00 58.65 57.38 3h35 h GLN 99 Cb 1.16 0.09 -0.40 0.00 0.30 0.00 0.00 27.48 28.63 3h35 h GLN 99 CO 0.97 1.02 -0.60 0.00 -0.67 0.00 0.00 178.83 179.54 3h35 h ASN 101 N 6.83 0.00 -1.01 0.00 -1.24 -1.99 -2.35 115.58 115.81 3h35 h ASN 101 Ca -0.06 0.00 0.29 0.00 0.71 0.00 0.00 56.30 57.23 3h35 h ASN 101 Cb 0.93 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.93 3h35 h ASN 101 CO 0.66 0.00 0.72 0.44 -1.29 0.00 0.00 177.43 177.96 3h35 h ASP 102 N 0.00 0.07 -0.54 1.15 3.32 -1.99 -2.92 116.42 115.51 3h35 h ASP 102 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3h35 h ASP 102 Cb 0.51 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3h35 h ASP 102 CO 0.00 0.02 0.00 0.49 -1.72 0.00 0.00 179.24 178.03 3h35 n PHE 103 N -4.29 0.83 -0.33 4.55 3.72 -0.89 -4.65 117.46 116.41 3h35 n PHE 103 Ca 0.22 -0.53 -0.01 0.00 -0.05 0.00 0.00 57.45 57.07 3h35 n PHE 103 Cb 1.04 -0.06 0.12 0.00 -0.94 0.00 0.00 39.48 39.63 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 3.20 1.14 -0.57 4.37 6.09 -1.66 -0.46 117.51 129.63 3h35 h ILE 104 Ca 0.00 -0.38 -0.07 0.00 -1.37 0.00 0.00 64.86 63.04 3h35 h ILE 104 Cb 0.97 -0.07 -0.02 0.00 0.47 0.00 0.00 36.82 38.17 3h35 h ILE 104 CO 0.04 0.20 0.07 0.00 -3.07 0.00 0.00 178.15 175.40 3h35 h ALA 105 N 1.37 1.06 -0.62 0.18 0.00 -1.83 -0.40 119.26 119.01 3h35 h ALA 105 Ca 0.36 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3h35 h ALA 105 Cb 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3h35 h ALA 105 CO -0.12 0.60 0.04 -0.07 0.00 0.00 0.00 179.25 179.70 3h35 h LEU 106 N 0.87 1.03 -0.36 0.00 3.38 -1.68 -0.84 115.31 117.71 3h35 h LEU 106 Ca 0.18 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 3h35 h LEU 106 Cb 0.41 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3h35 h LEU 106 CO 0.01 1.06 -0.17 1.88 0.09 0.00 0.00 178.44 181.32 3h35 h TYR 107 N 0.98 0.87 -0.35 1.13 0.05 -0.40 -2.14 116.97 117.12 3h35 h TYR 107 Ca 0.18 -0.21 -0.06 0.00 0.05 0.00 0.00 58.73 58.69 3h35 h TYR 107 Cb 0.51 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 3h35 h TYR 107 CO 0.04 0.94 -0.02 -0.07 -1.05 0.00 0.00 178.16 178.00 3h35 h LEU 108 N 0.55 0.61 -0.73 3.88 3.38 -0.97 0.21 115.31 122.23 3h35 h LEU 108 Ca 0.08 -0.32 0.14 0.00 0.09 0.00 0.00 57.88 57.87 3h35 h LEU 108 Cb 0.71 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.20 3h35 h LEU 108 CO 0.05 0.79 0.27 -1.13 0.09 0.00 0.00 178.44 178.51 3h35 h ASN 109 N 0.43 0.21 -0.12 -0.43 -1.24 -1.07 -0.51 115.58 112.85 3h35 h ASN 109 Ca 0.10 0.11 -0.09 0.00 0.71 0.00 0.00 56.30 57.13 3h35 h ASN 109 Cb 0.48 0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.64 3h35 h ASN 109 CO 0.02 0.07 -0.26 -0.74 -1.29 0.00 0.00 177.43 175.24 3h35 h HIS 110 N 0.40 0.50 -0.62 0.67 2.76 -1.04 -0.83 115.15 116.99 3h35 h HIS 110 Ca 0.40 -0.18 -0.06 0.00 -2.20 0.00 0.00 60.37 58.33 3h35 h HIS 110 Cb 0.62 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.47 3h35 h HIS 110 CO -0.19 0.88 0.15 -0.07 -1.30 0.00 0.00 177.93 177.40 3h35 h LEU 111 N -0.02 0.91 -0.33 0.26 3.38 -0.58 -1.18 115.31 117.75 3h35 h LEU 111 Ca 0.00 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.65 3h35 h LEU 111 Cb 0.85 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 3h35 h LEU 111 CO 0.06 0.88 -0.36 -0.26 0.09 0.00 0.00 178.44 178.85 3h35 h PHE 112 N 0.93 1.01 -0.97 1.13 0.04 -1.09 -1.47 116.94 116.51 3h35 h PHE 112 Ca 0.20 -0.31 0.02 0.00 2.80 0.00 0.00 57.97 60.68 3h35 h PHE 112 Cb 0.33 -0.21 -0.05 0.00 2.20 0.00 0.00 35.95 38.22 3h35 h PHE 112 CO 0.02 1.11 0.64 0.00 -0.60 0.00 0.00 178.31 179.48 3h35 h ALA 113 N 0.73 1.26 -0.01 2.45 0.00 -0.77 -1.00 119.26 121.92 3h35 h ALA 113 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h35 h ALA 113 Cb 0.95 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3h35 h ALA 113 CO 0.09 0.57 0.00 1.04 0.00 0.00 0.00 179.25 180.95 3h35 n GLN 114 N -4.44 1.05 -1.55 0.00 1.13 -0.48 -4.90 117.38 108.19 3h35 n GLN 114 Ca 0.12 -0.07 -0.13 0.00 -1.94 0.00 0.00 57.00 54.98 3h35 n GLN 114 Cb 0.05 -1.40 -0.04 0.00 0.11 0.00 0.00 30.24 28.96 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 0.91 1.02 0.02 1.08 0.00 -0.38 -4.91 105.19 102.94 3h35 n GLY 115 Ca 0.19 -0.42 0.11 0.00 0.00 0.00 0.00 46.02 45.90 3h35 n GLY 115 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h35 n LEU 116 N -1.51 0.63 -4.16 0.99 4.77 -0.58 -4.20 117.00 112.94 3h35 n LEU 116 Ca -0.13 -0.05 -0.10 0.00 -0.03 0.00 0.00 56.01 55.70 3h35 n LEU 116 Cb 0.46 -0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 41.28 3h35 n LEU 116 CO 0.19 0.10 -0.33 0.68 -1.33 0.00 0.00 177.39 176.69 3h35 s VAL 117 N -3.08 0.36 0.19 4.08 -7.23 -1.25 -1.63 120.40 111.84 3h35 s VAL 117 Ca 0.08 -1.91 0.05 0.00 -1.81 0.00 0.00 61.98 58.39 3h35 s VAL 117 Cb 0.16 -1.90 -0.05 0.00 0.56 0.00 0.00 36.38 35.15 3h35 s VAL 117 CO 0.76 -0.64 -0.09 0.27 -0.31 0.00 0.00 175.10 175.09 3h35 s ILE 118 N -3.86 1.33 -0.28 -0.62 -4.36 -0.29 -4.64 121.20 108.47 3h35 s ILE 118 Ca 0.19 -2.10 -0.06 0.00 -0.26 0.00 0.00 60.65 58.41 3h35 s ILE 118 Cb 0.07 -2.04 -0.00 0.00 1.25 0.00 0.00 42.46 41.74 3h35 s ILE 118 CO -0.01 -0.59 0.06 0.00 0.24 0.00 0.00 174.94 174.64 3h35 s ALA 119 N -3.23 3.05 0.47 2.27 0.00 -1.26 -2.35 121.76 120.70 3h35 s ALA 119 Ca 0.21 -1.35 0.06 0.00 0.00 0.00 0.00 51.96 50.88 3h35 s ALA 119 Cb 0.02 -2.07 0.06 0.00 0.00 0.00 0.00 23.12 21.13 3h35 s ALA 119 CO 0.05 -0.78 0.50 -1.13 0.00 0.00 0.00 175.76 174.40 3h35 n SER 120 N 4.87 2.11 -4.67 0.00 3.41 0.10 -4.85 113.62 114.59 3h35 n SER 120 Ca -0.15 -2.43 -0.32 0.00 -0.26 0.00 0.00 58.87 55.71 3h35 n SER 120 Cb 0.49 -0.19 0.16 0.00 -0.26 0.00 0.00 64.21 64.41 3h35 n SER 120 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3h35 n ASP 121 N -2.15 0.52 -4.55 4.04 9.92 -1.26 -0.27 116.55 122.81 3h35 n ASP 121 Ca 0.06 0.47 -0.59 0.00 -0.53 0.00 0.00 54.79 54.20 3h35 n ASP 121 Cb 0.51 -1.49 -0.08 0.00 -0.64 0.00 0.00 41.12 39.42 3h35 n ASP 121 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 3h35 n PHE 122 N -4.00 0.93 -3.79 1.24 7.35 -1.19 -3.55 117.46 114.44 3h35 n PHE 122 Ca 0.12 0.99 -0.36 0.00 -0.76 0.00 0.00 57.45 57.44 3h35 n PHE 122 Cb 0.52 -2.15 -0.13 0.00 0.35 0.00 0.00 39.48 38.07 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 0.47 4.06 0.28 -2.13 2.01 -1.26 -4.97 115.64 114.09 3h35 s THR 123 Ca 0.92 -0.29 0.01 0.00 0.31 0.00 0.00 61.69 62.63 3h35 s THR 123 Cb -1.24 -2.90 0.27 0.00 0.01 0.00 0.00 72.50 68.64 3h35 s THR 123 CO 0.58 0.34 1.83 -0.33 -0.69 0.00 0.00 174.62 176.35 3h35 h GLU 124 N 8.21 0.92 -0.95 4.92 4.39 -2.02 -0.50 114.58 129.55 3h35 h GLU 124 Ca -0.39 -0.06 0.27 0.00 0.34 0.00 0.00 59.36 59.53 3h35 h GLU 124 Cb 1.17 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 29.57 3h35 h GLU 124 CO 0.59 0.61 0.68 1.03 -1.16 0.00 0.00 179.01 180.76 3h35 h SER 125 N 0.95 0.04 -0.48 1.42 0.87 -2.03 -1.69 113.55 112.62 3h35 h SER 125 Ca 0.49 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.05 3h35 h SER 125 Cb 0.49 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 3h35 h SER 125 CO -0.27 0.01 0.00 0.18 -0.53 0.00 0.00 176.83 176.22 3h35 n LEU 126 N -4.28 3.37 -0.33 2.23 4.77 -0.20 -4.64 117.00 117.94 3h35 n LEU 126 Ca 0.20 -1.55 0.08 0.00 -0.03 0.00 0.00 56.01 54.71 3h35 n LEU 126 Cb 1.00 -0.32 0.18 0.00 -2.33 0.00 0.00 43.42 41.95 3h35 n LEU 126 CO 0.38 0.77 0.73 -0.09 -1.33 0.00 0.00 177.39 177.86 3h35 h ARG 127 N 4.08 0.02 -0.53 3.23 2.43 -1.34 0.14 114.38 122.41 3h35 h ARG 127 Ca 0.00 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 3h35 h ARG 127 Cb 0.91 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 3h35 h ARG 127 CO 0.00 0.01 0.03 1.15 -1.51 0.00 0.00 179.97 179.65 3h35 h THR 128 N 0.02 1.26 -0.70 0.20 2.02 -1.85 -1.79 112.91 112.07 3h35 h THR 128 Ca 0.49 -1.06 0.08 0.00 0.77 0.00 0.00 66.41 66.69 3h35 h THR 128 Cb 0.85 0.89 -0.06 0.00 -1.74 0.00 0.00 68.15 68.10 3h35 h THR 128 CO -0.91 0.38 0.37 0.44 0.37 0.00 0.00 175.52 176.17 3h35 h ASP 129 N 0.80 0.52 -0.74 4.18 3.32 -1.36 0.36 116.42 123.51 3h35 h ASP 129 Ca 0.15 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3h35 h ASP 129 Cb 0.49 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 3h35 h ASP 129 CO 0.02 0.32 0.47 1.88 -1.72 0.00 0.00 179.24 180.21 3h35 h TYR 130 N 0.66 0.96 -0.74 4.55 0.05 -0.55 0.14 116.97 122.04 3h35 h TYR 130 Ca 0.33 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 59.06 3h35 h TYR 130 Cb 0.28 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.67 3h35 h TYR 130 CO -0.09 0.63 0.25 0.93 -1.05 0.00 0.00 178.16 178.83 3h35 h GLU 131 N 1.01 1.13 0.34 4.88 5.08 -0.81 -1.26 114.58 124.94 3h35 h GLU 131 Ca 0.27 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3h35 h GLU 131 Cb -0.07 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.01 3h35 h GLU 131 CO -0.05 0.95 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.67 3h35 h LEU 132 N 1.09 -0.38 -1.02 1.33 3.38 -0.39 -3.02 115.31 116.30 3h35 h LEU 132 Ca 0.24 -0.14 0.19 0.00 0.09 0.00 0.00 57.88 58.25 3h35 h LEU 132 Cb 0.28 0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.02 3h35 h LEU 132 CO -0.01 -0.05 0.61 0.00 0.09 0.00 0.00 178.44 179.08 3h35 h GLU 134 N 0.78 0.00 0.00 0.00 5.08 -1.11 -2.35 114.58 116.97 3h35 h GLU 134 Ca 0.57 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.93 3h35 h GLU 134 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3h35 h GLU 134 CO -0.37 0.17 -0.71 0.78 -1.00 0.00 0.00 179.01 177.89 3h35 h GLY 135 N 0.62 0.00 -3.52 -3.84 0.00 -1.15 -3.42 103.07 91.77 3h35 h GLY 135 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 3h35 h GLY 135 CO 0.02 0.00 0.67 1.22 0.00 0.00 0.00 176.54 178.45 3h35 n ASP 136 N -2.23 3.21 -0.10 0.19 8.00 -0.89 -4.82 116.55 119.91 3h35 n ASP 136 Ca 0.03 1.12 -0.06 0.00 0.71 0.00 0.00 54.79 56.59 3h35 n ASP 136 Cb 0.46 -1.59 0.00 0.00 -0.02 0.00 0.00 41.12 39.98 3h35 n ASP 136 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3h35 h SER 137 N 2.28 -0.58 -0.52 -2.24 0.02 -1.92 -0.38 113.55 110.21 3h35 h SER 137 Ca -0.50 0.14 -0.08 0.00 -0.84 0.00 0.00 61.79 60.50 3h35 h SER 137 Cb 1.27 0.32 -0.02 0.00 0.14 0.00 0.00 62.40 64.11 3h35 h SER 137 CO 0.61 -0.20 0.02 0.44 -1.14 0.00 0.00 176.83 176.56 3h35 h ASP 138 N -0.11 0.92 0.01 3.07 3.32 -1.95 0.05 116.42 121.72 3h35 h ASP 138 Ca 0.18 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 3h35 h ASP 138 Cb 0.38 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3h35 h ASP 138 CO -0.43 0.96 -0.00 0.15 -1.72 0.00 0.00 179.24 178.20 3h35 h PHE 139 N 0.88 -0.01 -0.07 4.55 3.57 -1.74 -2.05 116.94 122.07 3h35 h PHE 139 Ca 0.17 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.59 3h35 h PHE 139 Cb 0.49 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 3h35 h PHE 139 CO 0.03 0.18 -0.32 0.00 -2.23 0.00 0.00 178.31 175.97 3h35 h ARG 140 N -0.19 0.14 -0.14 1.11 3.08 -0.66 -0.76 114.38 116.96 3h35 h ARG 140 Ca -0.00 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3h35 h ARG 140 Cb 0.19 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3h35 h ARG 140 CO 0.00 0.45 0.01 0.87 -1.07 0.00 0.00 179.97 180.22 3h35 h LYS 141 N 0.12 0.25 -0.53 0.04 1.57 -0.91 0.08 116.57 117.18 3h35 h LYS 141 Ca 0.02 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3h35 h LYS 141 Cb 0.63 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 3h35 h LYS 141 CO 0.05 0.47 0.32 0.00 -0.57 0.00 0.00 179.45 179.72 3h35 h ALA 142 N 0.77 0.68 -0.44 3.86 0.00 -1.16 0.59 119.26 123.55 3h35 h ALA 142 Ca 0.04 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3h35 h ALA 142 Cb 0.35 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3h35 h ALA 142 CO 0.01 0.16 0.23 0.37 0.00 0.00 0.00 179.25 180.02 3h35 h GLN 143 N 0.71 0.46 -0.53 0.00 4.15 -1.03 -0.68 115.11 118.19 3h35 h GLN 143 Ca 0.19 -0.03 -0.12 0.00 0.77 0.00 0.00 58.65 59.46 3h35 h GLN 143 Cb -0.01 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 3h35 h GLN 143 CO -0.04 0.30 -0.14 0.00 -1.93 0.00 0.00 178.83 177.03 3h35 h ALA 144 N 1.23 0.73 -0.22 3.38 0.00 -0.52 -0.82 119.26 123.04 3h35 h ALA 144 Ca 0.19 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3h35 h ALA 144 Cb 0.07 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3h35 h ALA 144 CO -0.12 0.67 -0.03 0.93 0.00 0.00 0.00 179.25 180.70 3h35 h GLU 145 N 0.91 0.02 -0.21 0.00 5.08 -0.45 -2.98 114.58 116.95 3h35 h GLU 145 Ca 0.13 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 3h35 h GLU 145 Cb 0.72 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3h35 h GLU 145 CO 0.05 0.02 -0.39 -0.07 -1.00 0.00 0.00 179.01 177.62 3h35 h LEU 146 N 0.02 0.50 -0.98 1.33 3.38 -0.92 -3.19 115.31 115.46 3h35 h LEU 146 Ca 0.10 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3h35 h LEU 146 Cb 0.15 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 3h35 h LEU 146 CO -0.20 0.84 0.65 -0.61 0.09 0.00 0.00 178.44 179.21 3h35 h GLN 147 N 0.40 1.30 -0.86 1.13 5.75 -1.00 0.97 115.11 122.80 3h35 h GLN 147 Ca 0.04 -0.08 0.21 0.00 -0.15 0.00 0.00 58.65 58.67 3h35 h GLN 147 Cb 0.86 -0.29 -0.12 0.00 1.07 0.00 0.00 27.48 28.99 3h35 h GLN 147 CO 0.07 0.86 0.32 0.82 -2.65 0.00 0.00 178.83 178.25 3h35 h ILE 148 N 1.34 0.46 0.00 2.39 2.04 -1.53 -2.95 117.51 119.26 3h35 h ILE 148 Ca 0.36 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 66.10 3h35 h ILE 148 Cb -0.16 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.01 3h35 h ILE 148 CO -0.08 0.06 -0.96 1.41 0.00 0.00 0.00 178.15 178.58 3h35 n HIS 149 N -5.10 0.00 -3.71 1.37 8.25 -0.78 -4.69 115.22 110.57 3h35 n HIS 149 Ca 0.20 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.38 3h35 n HIS 149 Cb 0.61 -0.08 -0.12 0.00 1.12 0.00 0.00 29.99 31.52 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 -3.05 3.37 0.35 2.41 1.43 0.27 -4.98 118.68 118.47 3h35 s LEU 150 Ca 0.03 -3.39 0.06 0.00 -1.03 0.00 0.00 54.13 49.81 3h35 s LEU 150 Cb 0.11 -1.15 0.64 0.00 0.03 0.00 0.00 46.19 45.82 3h35 s LEU 150 CO 0.64 -0.14 1.86 1.55 0.23 0.00 0.00 176.35 180.49 3h35 h PRO 151 N 5.71 0.39 -1.00 1.29 0.13 -1.83 -0.26 132.00 136.43 3h35 h PRO 151 Ca 0.16 -0.10 -0.12 0.00 -0.87 0.00 0.00 66.00 65.07 3h35 h PRO 151 Cb 0.83 -0.05 -0.07 0.00 0.13 0.00 0.00 31.00 31.85 3h35 h PRO 151 CO 0.57 0.50 0.15 1.63 -0.23 0.00 0.00 178.00 180.62 3h35 n LYS 152 N -4.25 1.32 -1.67 0.86 5.02 -1.26 -4.93 118.16 113.25 3h35 n LYS 152 Ca 0.00 -0.71 -0.48 0.00 -2.02 0.00 0.00 58.31 55.10 3h35 n LYS 152 Cb 0.28 -1.30 -0.05 0.00 -0.02 0.00 0.00 35.03 33.95 3h35 n LYS 152 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3h35 n LEU 153 N 0.12 3.13 -4.68 -0.35 7.94 -0.11 -1.32 117.00 121.73 3h35 n LEU 153 Ca 0.14 1.03 -0.24 0.00 -1.11 0.00 0.00 56.01 55.82 3h35 n LEU 153 Cb 0.76 -1.36 -0.07 0.00 0.53 0.00 0.00 43.42 43.28 3h35 n LEU 153 CO 0.14 -0.23 -0.31 -0.44 -1.11 0.00 0.00 177.39 175.44 3h35 s SER 154 N 2.65 4.77 -0.04 1.96 0.01 0.78 -4.81 113.70 119.02 3h35 s SER 154 Ca 0.88 -0.48 0.06 0.00 1.31 0.00 0.00 55.95 57.71 3h35 s SER 154 Cb -0.73 -0.99 -0.01 0.00 0.21 0.00 0.00 66.02 64.50 3h35 s SER 154 CO 0.47 0.04 -0.21 -0.51 0.41 0.00 0.00 173.24 173.43 3h35 s ILE 155 N -2.03 1.74 -0.10 1.44 2.07 -1.26 -0.76 121.20 122.30 3h35 s ILE 155 Ca 0.30 -0.91 0.02 0.00 -1.41 0.00 0.00 60.65 58.65 3h35 s ILE 155 Cb -0.08 -1.47 0.01 0.00 0.13 0.00 0.00 42.46 41.05 3h35 s ILE 155 CO 0.20 0.49 -0.17 -0.60 -1.91 0.00 0.00 174.94 172.96 3h35 s ARG 156 N -0.19 2.30 -0.21 3.50 3.52 -0.29 -4.99 118.95 122.58 3h35 s ARG 156 Ca -0.00 -0.60 -0.18 0.00 -0.13 0.00 0.00 55.73 54.81 3h35 s ARG 156 Cb -0.11 -1.88 -0.03 0.00 -1.56 0.00 0.00 34.95 31.37 3h35 s ARG 156 CO 0.02 0.01 0.52 1.03 -0.81 0.00 0.00 175.30 176.07 3h35 s ARG 157 N 0.77 4.17 0.34 5.12 0.52 -1.26 -1.27 118.95 127.34 3h35 s ARG 157 Ca -0.11 0.40 0.06 0.00 -0.52 0.00 0.00 55.73 55.56 3h35 s ARG 157 Cb -0.16 -3.58 -0.02 0.00 0.52 0.00 0.00 34.95 31.71 3h35 s ARG 157 CO 0.02 -0.18 0.22 0.39 0.02 0.00 0.00 175.30 175.76 3h35 n GLU 158 N 4.92 0.46 -4.80 3.54 1.02 -0.05 -3.18 120.64 122.54 3h35 n GLU 158 Ca -0.05 -3.16 -0.28 0.00 -0.02 0.00 0.00 57.16 53.66 3h35 n GLU 158 Cb 0.50 2.26 -0.17 0.00 -0.02 0.00 0.00 31.44 34.01 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 -3.16 1.50 -0.11 2.62 2.01 0.63 -1.81 115.64 117.32 3h35 s THR 159 Ca 0.31 -0.69 -0.21 0.00 0.31 0.00 0.00 61.69 61.40 3h35 s THR 159 Cb 0.01 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.15 3h35 s THR 159 CO 0.22 0.44 0.61 -0.22 -0.69 0.00 0.00 174.62 174.98 3h35 s LEU 160 N 0.58 4.26 0.17 4.42 2.96 -0.12 0.02 118.68 130.97 3h35 s LEU 160 Ca -0.15 0.99 -0.06 0.00 -0.22 0.00 0.00 54.13 54.68 3h35 s LEU 160 Cb -0.17 -2.91 -0.02 0.00 0.50 0.00 0.00 46.19 43.59 3h35 s LEU 160 CO 0.05 -0.11 0.22 -0.13 -1.32 0.00 0.00 176.35 175.06 3h35 s ARG 161 N 0.99 1.14 0.58 1.98 0.52 -0.99 -1.78 118.95 121.39 3h35 s ARG 161 Ca 0.32 -1.31 -0.16 0.00 -0.52 0.00 0.00 55.73 54.06 3h35 s ARG 161 Cb -0.16 0.34 -0.05 0.00 0.52 0.00 0.00 34.95 35.60 3h35 s ARG 161 CO 0.14 -0.40 1.04 -1.50 0.02 0.00 0.00 175.30 174.60 3h35 s ILE 162 N -4.02 3.97 0.43 1.52 2.07 -1.26 -1.14 121.20 122.77 3h35 s ILE 162 Ca 0.22 0.94 0.08 0.00 -1.41 0.00 0.00 60.65 60.48 3h35 s ILE 162 Cb 0.04 -3.46 -0.01 0.00 0.13 0.00 0.00 42.46 39.17 3h35 s ILE 162 CO 0.03 -0.55 0.45 -0.94 -1.91 0.00 0.00 174.94 172.02 3h35 s SER 163 N -2.85 5.21 0.41 4.50 1.04 -0.65 -4.46 113.70 116.89 3h35 s SER 163 Ca 0.63 -0.68 0.07 0.00 0.48 0.00 0.00 55.95 56.44 3h35 s SER 163 Cb -0.15 -0.52 0.84 0.00 0.10 0.00 0.00 66.02 66.30 3h35 s SER 163 CO 0.36 -0.73 2.05 -0.65 0.98 0.00 0.00 173.24 175.25 3h35 h PRO 164 N 0.87 0.55 -0.53 4.02 0.11 -1.87 -1.11 132.00 134.04 3h35 h PRO 164 Ca -0.40 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.55 3h35 h PRO 164 Cb 1.27 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3h35 h PRO 164 CO 0.53 0.37 -0.14 -0.07 -0.21 0.00 0.00 178.00 178.48 3h35 h LEU 165 N 0.56 1.03 -0.69 2.35 3.38 -1.87 -1.18 115.31 118.89 3h35 h LEU 165 Ca 0.15 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3h35 h LEU 165 Cb -0.05 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 3h35 h LEU 165 CO -0.03 1.16 0.31 1.23 0.09 0.00 0.00 178.44 181.20 3h35 h GLY 166 N 0.92 1.09 0.96 0.83 0.00 -1.38 -0.27 103.07 105.21 3h35 h GLY 166 Ca 0.13 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 3h35 h GLY 166 CO 0.05 0.53 0.09 3.21 0.00 0.00 0.00 176.54 180.43 3h35 h ARG 167 N 0.97 0.21 -0.06 4.80 3.08 -0.96 -1.43 114.38 120.99 3h35 h ARG 167 Ca 0.24 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3h35 h ARG 167 Cb 0.16 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 3h35 h ARG 167 CO -0.03 0.19 0.03 0.37 -1.07 0.00 0.00 179.97 179.46 3h35 h GLN 168 N 0.17 0.06 -0.37 0.04 4.15 -1.01 -0.98 115.11 117.18 3h35 h GLN 168 Ca 0.06 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 3h35 h GLN 168 Cb 0.03 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 3h35 h GLN 168 CO -0.01 0.04 0.10 1.25 -1.93 0.00 0.00 178.83 178.29 3h35 h LEU 169 N 0.07 0.54 -0.83 -2.39 5.85 -1.00 -0.41 115.31 117.13 3h35 h LEU 169 Ca 0.02 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.48 3h35 h LEU 169 Cb -0.00 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 3h35 h LEU 169 CO -0.01 0.62 0.28 -0.25 -0.34 0.00 0.00 178.44 178.74 3h35 h TRP 170 N 0.44 1.17 -0.25 1.25 2.91 -1.17 -1.31 115.95 119.00 3h35 h TRP 170 Ca 0.12 -0.09 0.01 0.00 1.13 0.00 0.00 58.89 60.06 3h35 h TRP 170 Cb 0.28 -0.35 -0.02 0.00 -0.51 0.00 0.00 29.16 28.56 3h35 h TRP 170 CO 0.01 0.90 0.12 1.15 -1.03 0.00 0.00 178.44 179.59 3h35 h THR 171 N 1.11 1.00 0.00 2.65 2.02 -0.85 -1.13 112.91 117.71 3h35 h THR 171 Ca 0.25 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.34 3h35 h THR 171 Cb 0.24 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3h35 h THR 171 CO -0.02 0.05 0.00 0.18 0.37 0.00 0.00 175.52 176.10 3h35 n LEU 172 N -4.98 0.00 0.00 2.58 4.77 -0.19 -5.10 117.00 114.07 3h35 n LEU 172 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3h35 n LEU 172 Cb 0.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3h35 n LEU 172 CO 0.32 0.00 0.00 0.35 -1.33 0.00 0.00 177.39 176.73