#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wuq s ASP 34 N 0.00 6.32 0.37 -1.34 3.68 -1.26 -4.88 116.67 119.57 1wuq s ASP 34 Ca 0.00 -1.01 0.05 0.00 2.13 0.00 0.00 52.55 53.72 1wuq s ASP 34 Cb 0.00 -2.53 0.72 0.00 -1.45 0.00 0.00 42.92 39.66 1wuq s ASP 34 CO 0.00 -1.61 1.98 -0.07 0.13 0.00 0.00 175.17 175.60 1wuq h LEU 35 N 12.50 0.52 -0.84 -1.34 3.38 -1.99 -2.15 115.31 125.39 1wuq h LEU 35 Ca -0.08 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 1wuq h LEU 35 Cb 1.04 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1wuq h LEU 35 CO 1.30 0.46 0.09 -0.33 0.09 0.00 0.00 178.44 180.05 1wuq h GLU 36 N 0.58 0.95 -0.21 1.13 4.39 -1.99 0.76 114.58 120.20 1wuq h GLU 36 Ca 0.15 -0.24 -0.19 0.00 0.34 0.00 0.00 59.36 59.42 1wuq h GLU 36 Cb 0.09 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1wuq h GLU 36 CO -0.02 0.89 -0.62 -0.09 -1.16 0.00 0.00 179.01 178.01 1wuq h ARG 37 N 0.90 0.73 -0.52 2.33 2.43 -1.87 -2.14 114.38 116.25 1wuq h ARG 37 Ca 0.18 -0.50 -0.05 0.00 -0.81 0.00 0.00 59.98 58.80 1wuq h ARG 37 Cb 0.40 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 1wuq h ARG 37 CO 0.01 1.13 0.14 -0.07 -1.51 0.00 0.00 179.97 179.67 1wuq h LEU 38 N 0.54 0.77 -0.69 3.80 3.38 -1.10 -1.48 115.31 120.53 1wuq h LEU 38 Ca -0.01 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.75 1wuq h LEU 38 Cb 1.22 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 1wuq h LEU 38 CO 0.13 0.79 0.46 1.56 0.09 0.00 0.00 178.44 181.46 1wuq h GLN 39 N 0.71 0.91 -0.64 1.13 4.20 -0.78 0.69 115.11 121.33 1wuq h GLN 39 Ca 0.16 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 1wuq h GLN 39 Cb 0.30 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1wuq h GLN 39 CO -0.00 0.60 0.18 0.00 -0.67 0.00 0.00 178.83 178.94 1wuq h ALA 40 N 1.25 0.84 -0.49 3.87 0.00 -1.16 -0.11 119.26 123.45 1wuq h ALA 40 Ca 0.25 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1wuq h ALA 40 Cb -0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1wuq h ALA 40 CO -0.06 0.52 -0.05 -0.07 0.00 0.00 0.00 179.25 179.59 1wuq h LEU 41 N 0.92 0.90 -0.73 0.00 3.38 -0.84 -2.59 115.31 116.35 1wuq h LEU 41 Ca 0.20 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1wuq h LEU 41 Cb 0.32 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1wuq h LEU 41 CO -0.00 1.02 -0.15 0.00 0.09 0.00 0.00 178.44 179.39 1wuq h ALA 42 N 0.91 0.92 -0.54 1.53 0.00 -0.63 -0.07 119.26 121.37 1wuq h ALA 42 Ca 0.13 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1wuq h ALA 42 Cb 0.59 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1wuq h ALA 42 CO 0.04 0.62 0.02 0.00 0.00 0.00 0.00 179.25 179.93 1wuq h ALA 43 N 1.11 1.01 -0.04 0.00 0.00 -0.97 -1.98 119.26 118.39 1wuq h ALA 43 Ca 0.11 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 1wuq h ALA 43 Cb 0.66 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1wuq h ALA 43 CO 0.05 0.61 -0.74 1.49 0.00 0.00 0.00 179.25 180.66 1wuq h GLU 44 N 0.85 0.24 -0.54 0.00 4.81 -1.16 -2.98 114.58 115.80 1wuq h GLU 44 Ca 0.16 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1wuq h GLU 44 Cb 0.47 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 1wuq h GLU 44 CO 0.02 0.88 0.35 2.35 -0.73 0.00 0.00 179.01 181.88 1wuq h TRP 45 N 0.16 0.68 -0.60 0.92 2.91 -0.65 -1.22 115.95 118.15 1wuq h TRP 45 Ca -0.03 0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.08 1wuq h TRP 45 Cb 1.31 -0.23 -0.06 0.00 -0.51 0.00 0.00 29.16 29.68 1wuq h TRP 45 CO 0.03 0.43 0.29 -0.07 -1.03 0.00 0.00 178.44 178.09 1wuq h LEU 46 N 0.73 0.38 0.07 0.65 3.38 -1.24 -2.25 115.31 117.02 1wuq h LEU 46 Ca 0.20 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1wuq h LEU 46 Cb -0.08 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1wuq h LEU 46 CO -0.04 0.24 -0.03 1.56 0.09 0.00 0.00 178.44 180.26 1wuq h GLN 47 N 0.53 -0.08 -1.00 1.13 4.20 -1.27 0.12 115.11 118.74 1wuq h GLN 47 Ca 0.28 0.01 0.03 0.00 0.06 0.00 0.00 58.65 59.03 1wuq h GLN 47 Cb 0.25 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.99 1wuq h GLN 47 CO -0.22 0.09 0.66 0.28 -0.67 0.00 0.00 178.83 178.96 1wuq h VAL 48 N -0.24 1.20 0.00 -0.54 2.07 -0.99 -2.04 116.25 115.70 1wuq h VAL 48 Ca -0.01 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1wuq h VAL 48 Cb 0.21 -0.20 0.00 0.00 -1.52 0.00 0.00 31.29 29.78 1wuq h VAL 48 CO 0.01 0.23 0.00 2.30 0.02 0.00 0.00 177.57 180.14 1wuq n ILE 49 N -4.42 0.24 0.00 4.57 -5.35 -0.87 -4.85 119.36 108.68 1wuq n ILE 49 Ca 0.13 0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.67 1wuq n ILE 49 Cb 0.07 -0.70 0.00 0.00 -1.74 0.00 0.00 39.64 37.27 1wuq n ILE 49 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wuq n GLY 50 N 0.54 0.97 3.99 3.28 0.00 -0.77 -5.11 105.19 108.09 1wuq n GLY 50 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 1wuq n GLY 50 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wuq s GLU 51 N -0.66 2.05 -0.33 1.61 0.41 0.03 -5.01 118.70 116.80 1wuq s GLU 51 Ca 0.00 -1.07 0.02 0.00 -0.41 0.00 0.00 54.97 53.51 1wuq s GLU 51 Cb 0.00 -2.43 0.09 0.00 -1.78 0.00 0.00 34.13 30.01 1wuq s GLU 51 CO 0.00 -1.12 0.05 0.34 -0.49 0.00 0.00 175.26 174.04 1wuq s ASP 52 N -4.62 4.83 0.38 -0.19 3.68 -1.26 -4.14 116.67 115.35 1wuq s ASP 52 Ca 0.63 -1.88 0.25 0.00 2.13 0.00 0.00 52.55 53.67 1wuq s ASP 52 Cb -0.07 -1.67 1.37 0.00 -1.45 0.00 0.00 42.92 41.10 1wuq s ASP 52 CO 0.42 -0.37 1.77 -0.65 0.13 0.00 0.00 175.17 176.47 1wuq h PRO 53 N 7.78 0.00 0.00 4.34 0.11 -1.89 -0.06 132.00 142.29 1wuq h PRO 53 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1wuq h PRO 53 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1wuq h PRO 53 CO 0.55 0.00 -0.22 0.41 -0.21 0.00 0.00 178.00 178.53 1wuq n GLY 54 N -1.26 -1.56 3.69 -0.55 0.00 -1.26 -3.99 105.19 100.25 1wuq n GLY 54 Ca -0.02 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 1wuq n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wuq n ARG 55 N -2.06 1.63 -0.18 1.61 1.74 -0.04 -4.80 116.66 114.57 1wuq n ARG 55 Ca 0.05 0.59 -0.01 0.00 -0.77 0.00 0.00 57.85 57.71 1wuq n ARG 55 Cb 0.41 -2.37 0.09 0.00 -1.02 0.00 0.00 32.46 29.57 1wuq n ARG 55 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1wuq h GLU 56 N 1.58 0.30 0.00 5.56 4.57 -1.90 -1.20 114.58 123.49 1wuq h GLU 56 Ca -0.48 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1wuq h GLU 56 Cb 1.31 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 1wuq h GLU 56 CO 0.57 0.20 0.00 0.78 -1.18 0.00 0.00 179.01 179.38 1wuq h GLY 57 N 0.31 0.00 -0.81 1.92 0.00 -1.95 -3.16 103.07 99.38 1wuq h GLY 57 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1wuq h GLY 57 CO -0.32 0.00 -0.37 1.04 0.00 0.00 0.00 176.54 176.89 1wuq n LEU 58 N -2.82 1.75 -0.22 3.11 4.77 -0.59 -4.65 117.00 118.34 1wuq n LEU 58 Ca 0.01 -0.77 0.03 0.00 -0.03 0.00 0.00 56.01 55.25 1wuq n LEU 58 Cb 0.30 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.53 1wuq n LEU 58 CO 0.25 0.33 0.97 -0.07 -1.33 0.00 0.00 177.39 177.55 1wuq h LEU 59 N 1.99 0.15 -2.49 2.23 3.38 -1.22 -2.15 115.31 117.20 1wuq h LEU 59 Ca 0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1wuq h LEU 59 Cb 0.61 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1wuq h LEU 59 CO 0.00 0.07 0.00 0.29 0.09 0.00 0.00 178.44 178.89 1wuq n LYS 60 N -5.06 2.60 -0.06 1.13 5.02 -1.26 -4.60 118.16 115.93 1wuq n LYS 60 Ca 0.11 -2.45 -0.10 0.00 -2.02 0.00 0.00 58.31 53.85 1wuq n LYS 60 Cb 0.36 -1.54 -0.04 0.00 -0.02 0.00 0.00 35.03 33.79 1wuq n LYS 60 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1wuq h THR 61 N 4.45 1.13 -0.86 -0.18 2.02 -1.65 -1.39 112.91 116.43 1wuq h THR 61 Ca 0.00 -0.36 0.07 0.00 0.77 0.00 0.00 66.41 66.90 1wuq h THR 61 Cb 1.00 0.95 -0.06 0.00 -1.74 0.00 0.00 68.15 68.30 1wuq h THR 61 CO 0.00 0.12 0.56 -0.65 0.37 0.00 0.00 175.52 175.92 1wuq h PRO 62 N 0.25 0.90 -0.15 6.66 0.11 -1.81 0.19 132.00 138.15 1wuq h PRO 62 Ca 0.08 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.10 1wuq h PRO 62 Cb 0.10 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.00 1wuq h PRO 62 CO -0.01 0.59 -0.03 1.49 -0.21 0.00 0.00 178.00 179.83 1wuq h GLU 63 N 0.92 0.28 -0.84 1.05 4.81 -1.83 -2.08 114.58 116.90 1wuq h GLU 63 Ca 0.38 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 1wuq h GLU 63 Cb 0.26 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 1wuq h GLU 63 CO -0.14 0.55 0.42 0.00 -0.73 0.00 0.00 179.01 179.11 1wuq h ARG 64 N -0.01 1.20 -0.58 1.92 3.08 -0.48 -2.45 114.38 117.06 1wuq h ARG 64 Ca 0.04 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 59.83 1wuq h ARG 64 Cb 0.45 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1wuq h ARG 64 CO 0.01 0.91 0.01 0.28 -1.07 0.00 0.00 179.97 180.12 1wuq h VAL 65 N 1.20 1.26 -0.07 2.04 2.07 -0.59 -1.36 116.25 120.79 1wuq h VAL 65 Ca 0.29 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1wuq h VAL 65 Cb 0.10 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1wuq h VAL 65 CO -0.04 0.40 0.02 0.00 0.02 0.00 0.00 177.57 177.97 1wuq h ALA 66 N 1.09 0.10 -0.69 1.67 0.00 -1.13 -1.40 119.26 118.90 1wuq h ALA 66 Ca 0.17 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1wuq h ALA 66 Cb 0.51 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1wuq h ALA 66 CO 0.02 -0.29 0.30 0.87 0.00 0.00 0.00 179.25 180.15 1wuq h LYS 67 N -0.08 1.01 -0.12 0.00 1.57 -1.41 -1.83 116.57 115.71 1wuq h LYS 67 Ca 0.02 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1wuq h LYS 67 Cb 0.22 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1wuq h LYS 67 CO -0.00 0.82 0.01 0.00 -0.57 0.00 0.00 179.45 179.71 1wuq h ALA 68 N 1.14 0.11 0.00 3.86 0.00 -1.12 -1.61 119.26 121.63 1wuq h ALA 68 Ca 0.23 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1wuq h ALA 68 Cb 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1wuq h ALA 68 CO -0.02 -0.44 -0.24 -1.49 0.00 0.00 0.00 179.25 177.06 1wuq h TRP 69 N 0.06 0.00 -0.41 0.00 4.06 -1.08 0.19 115.95 118.77 1wuq h TRP 69 Ca 0.05 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.89 1wuq h TRP 69 Cb 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.20 1wuq h TRP 69 CO -0.12 0.24 -0.19 0.00 -3.56 0.00 0.00 178.44 174.81 1wuq h ALA 70 N 1.76 0.58 -0.30 1.49 0.00 -0.83 -2.23 119.26 119.73 1wuq h ALA 70 Ca -0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 1wuq h ALA 70 Cb 0.50 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1wuq h ALA 70 CO 0.03 0.53 -0.16 0.35 0.00 0.00 0.00 179.25 180.00 1wuq h PHE 71 N 0.67 0.74 0.00 0.00 3.57 -0.49 -2.41 116.94 119.02 1wuq h PHE 71 Ca 0.09 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.40 1wuq h PHE 71 Cb 0.75 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.32 1wuq h PHE 71 CO 0.06 0.88 0.00 1.28 -2.23 0.00 0.00 178.31 178.29 1wuq n LEU 72 N -4.38 0.37 -0.06 0.59 4.77 0.58 -2.49 117.00 116.38 1wuq n LEU 72 Ca -0.03 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1wuq n LEU 72 Cb 0.39 -0.56 0.01 0.00 -2.33 0.00 0.00 43.42 40.93 1wuq n LEU 72 CO 0.42 -0.46 0.49 0.35 -1.33 0.00 0.00 177.39 176.86 1wuq n THR 73 N -1.91 0.92 0.31 -5.08 -2.24 -0.85 -3.09 114.28 102.33 1wuq n THR 73 Ca 0.02 -0.96 0.21 0.00 -2.27 0.00 0.00 64.05 61.05 1wuq n THR 73 Cb 0.18 0.54 1.11 0.00 -2.10 0.00 0.00 70.33 70.06 1wuq n THR 73 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1wuq h ARG 74 N 0.18 0.00 -0.06 -0.78 0.11 -1.12 -2.52 114.38 110.20 1wuq h ARG 74 Ca 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 1wuq h ARG 74 Cb 0.48 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.55 1wuq h ARG 74 CO 0.00 0.00 -0.10 0.78 0.10 0.00 0.00 179.97 180.75 1wuq h GLY 75 N 0.00 0.09 1.80 0.08 0.00 -1.51 -2.07 103.07 101.46 1wuq h GLY 75 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 1wuq h GLY 75 CO 0.00 0.05 -0.12 -0.97 0.00 0.00 0.00 176.54 175.50 1wuq h TYR 76 N 0.09 0.26 -0.40 5.60 0.05 -1.60 -2.88 116.97 118.08 1wuq h TYR 76 Ca 0.02 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1wuq h TYR 76 Cb 0.23 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 37.90 1wuq h TYR 76 CO 0.00 0.37 0.00 0.54 -1.05 0.00 0.00 178.16 178.02 1wuq n ARG 77 N -4.28 2.13 -3.51 4.88 3.00 -0.79 -4.94 116.66 113.15 1wuq n ARG 77 Ca -0.01 -1.74 -0.29 0.00 -0.01 0.00 0.00 57.85 55.81 1wuq n ARG 77 Cb 0.26 -1.42 -0.04 0.00 0.00 0.00 0.00 32.46 31.27 1wuq n ARG 77 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1wuq s GLN 78 N -1.47 3.60 -0.16 5.56 -0.21 -1.09 -5.09 119.66 120.80 1wuq s GLN 78 Ca 0.34 -0.11 -0.01 0.00 0.02 0.00 0.00 55.36 55.60 1wuq s GLN 78 Cb 0.19 -2.74 -0.01 0.00 1.00 0.00 0.00 33.01 31.44 1wuq s GLN 78 CO 0.25 0.32 -0.11 1.03 -2.12 0.00 0.00 175.29 174.67 1wuq s ARG 79 N -3.29 3.36 0.30 2.91 0.52 -1.26 -5.01 118.95 116.47 1wuq s ARG 79 Ca 0.42 -0.67 0.05 0.00 -0.52 0.00 0.00 55.73 55.01 1wuq s ARG 79 Cb -0.11 -2.76 0.74 0.00 0.52 0.00 0.00 34.95 33.34 1wuq s ARG 79 CO 0.28 0.04 1.75 1.25 0.02 0.00 0.00 175.30 178.64 1wuq h LEU 80 N 7.27 0.64 -0.96 2.53 5.85 -1.98 -0.34 115.31 128.33 1wuq h LEU 80 Ca -0.33 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.51 1wuq h LEU 80 Cb 1.19 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 1wuq h LEU 80 CO 0.58 0.18 0.63 -0.33 -0.34 0.00 0.00 178.44 179.16 1wuq h GLU 81 N 0.64 1.27 0.02 1.25 3.07 -2.00 -1.71 114.58 117.12 1wuq h GLU 81 Ca 0.57 -0.08 -0.20 0.00 -0.50 0.00 0.00 59.36 59.14 1wuq h GLU 81 Cb 0.96 -0.28 -0.01 0.00 -0.84 0.00 0.00 28.75 28.57 1wuq h GLU 81 CO -0.42 0.85 -0.94 0.93 -1.40 0.00 0.00 179.01 178.03 1wuq h GLU 82 N 1.31 0.13 -0.65 2.33 5.08 -1.55 -3.09 114.58 118.14 1wuq h GLU 82 Ca 0.35 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 1wuq h GLU 82 Cb -0.13 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1wuq h GLU 82 CO -0.07 0.97 0.23 0.28 -1.00 0.00 0.00 179.01 179.42 1wuq h VAL 83 N 0.06 1.25 -0.05 3.13 2.07 -0.71 -2.72 116.25 119.28 1wuq h VAL 83 Ca -0.04 -0.81 -0.10 0.00 0.82 0.00 0.00 66.70 66.56 1wuq h VAL 83 Cb 1.60 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1wuq h VAL 83 CO 0.14 0.32 -0.44 0.58 0.02 0.00 0.00 177.57 178.19 1wuq h VAL 84 N 0.94 1.32 -3.28 2.57 2.07 -1.37 -3.47 116.25 115.03 1wuq h VAL 84 Ca 0.21 -1.54 -0.33 0.00 0.82 0.00 0.00 66.70 65.86 1wuq h VAL 84 Cb 0.26 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1wuq h VAL 84 CO -0.01 0.45 -0.42 0.61 0.02 0.00 0.00 177.57 178.22 1wuq n GLY 85 N -0.21 -0.36 2.46 2.17 0.00 -1.03 -1.54 105.19 106.69 1wuq n GLY 85 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 1wuq n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wuq n GLY 86 N -0.87 1.43 2.35 -0.02 0.00 -1.26 -4.89 105.19 101.93 1wuq n GLY 86 Ca -0.19 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 1wuq n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wuq n ALA 87 N 0.94 6.78 -3.69 4.61 0.00 -0.59 -4.83 120.51 123.74 1wuq n ALA 87 Ca -0.17 -3.23 -0.35 0.00 0.00 0.00 0.00 53.44 49.69 1wuq n ALA 87 Cb 0.56 -2.62 -0.14 0.00 0.00 0.00 0.00 19.45 17.24 1wuq n ALA 87 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1wuq s VAL 88 N -0.39 2.93 0.30 0.00 1.01 -1.26 -0.90 120.40 122.10 1wuq s VAL 88 Ca 0.61 -1.14 0.08 0.00 0.00 0.00 0.00 61.98 61.53 1wuq s VAL 88 Cb 0.27 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1wuq s VAL 88 CO -0.11 0.09 0.17 -0.36 0.00 0.00 0.00 175.10 174.90 1wuq s PHE 89 N 1.30 2.86 0.35 5.22 0.08 0.03 -4.93 117.98 122.88 1wuq s PHE 89 Ca -0.02 -0.27 -0.28 0.00 0.12 0.00 0.00 56.93 56.49 1wuq s PHE 89 Cb -0.18 -1.55 -0.10 0.00 -0.57 0.00 0.00 43.02 40.63 1wuq s PHE 89 CO -0.03 0.39 1.26 -1.25 -0.10 0.00 0.00 175.22 175.48 1wuq s PRO 90 N -3.86 4.28 0.34 0.24 0.04 -1.26 -0.55 135.00 134.24 1wuq s PRO 90 Ca 0.36 2.09 -0.29 0.00 0.04 0.00 0.00 61.00 63.21 1wuq s PRO 90 Cb -0.05 -2.97 -0.11 0.00 0.04 0.00 0.00 34.50 31.40 1wuq s PRO 90 CO 0.24 -0.20 1.51 0.00 0.04 0.00 0.00 177.00 178.58 1wuq s ALA 91 N -1.21 3.62 -0.34 8.56 0.00 -0.19 -4.60 121.76 127.61 1wuq s ALA 91 Ca 0.51 1.54 0.23 0.00 0.00 0.00 0.00 51.96 54.24 1wuq s ALA 91 Cb -0.37 -3.61 -0.00 0.00 0.00 0.00 0.00 23.12 19.14 1wuq s ALA 91 CO 0.48 -0.99 0.98 0.39 0.00 0.00 0.00 175.76 176.62 1wuq n GLU 92 N 1.09 0.50 -1.58 0.00 -0.58 -1.26 -4.95 120.64 113.87 1wuq n GLU 92 Ca 0.03 0.04 -0.01 0.00 -0.42 0.00 0.00 57.16 56.81 1wuq n GLU 92 Cb 0.39 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 1wuq n GLU 92 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wuq n GLY 93 N 1.25 1.51 0.28 0.62 0.00 -1.26 -5.05 105.19 102.55 1wuq n GLY 93 Ca 0.00 -0.99 0.05 0.00 0.00 0.00 0.00 46.02 45.08 1wuq n GLY 93 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wuq n SER 94 N -0.86 1.41 -4.79 1.61 3.41 -1.26 -4.81 113.62 108.33 1wuq n SER 94 Ca -0.01 -1.21 -0.32 0.00 -0.26 0.00 0.00 58.87 57.07 1wuq n SER 94 Cb 0.08 0.31 0.04 0.00 -0.26 0.00 0.00 64.21 64.38 1wuq n SER 94 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1wuq s GLU 95 N -1.17 2.94 0.28 4.33 0.41 -1.26 -4.61 118.70 119.62 1wuq s GLU 95 Ca 0.09 1.20 -0.30 0.00 -0.41 0.00 0.00 54.97 55.56 1wuq s GLU 95 Cb 0.08 -1.98 -0.10 0.00 -1.78 0.00 0.00 34.13 30.34 1wuq s GLU 95 CO 0.20 -1.12 1.47 1.41 -0.49 0.00 0.00 175.26 176.74 1wuq s MET 96 N -4.40 4.22 -0.15 1.61 0.00 -1.26 -4.57 119.30 114.75 1wuq s MET 96 Ca 0.63 2.39 -0.02 0.00 0.00 0.00 0.00 55.69 58.69 1wuq s MET 96 Cb -0.17 -3.07 -0.02 0.00 0.00 0.00 0.00 34.83 31.57 1wuq s MET 96 CO 0.45 -0.46 -0.08 0.08 0.00 0.00 0.00 175.02 175.01 1wuq s VAL 97 N -0.25 3.54 -0.15 10.11 1.01 -0.04 -4.97 120.40 129.65 1wuq s VAL 97 Ca 0.58 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1wuq s VAL 97 Cb -0.44 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.44 1wuq s VAL 97 CO 0.48 0.50 -0.15 -0.69 0.00 0.00 0.00 175.10 175.24 1wuq s VAL 98 N 0.38 1.60 -0.40 2.92 1.01 -1.26 -1.25 120.40 123.41 1wuq s VAL 98 Ca -0.07 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 1wuq s VAL 98 Cb -0.15 -1.50 0.09 0.00 0.00 0.00 0.00 36.38 34.82 1wuq s VAL 98 CO 0.04 0.46 0.20 -0.69 0.00 0.00 0.00 175.10 175.11 1wuq s VAL 99 N 1.46 3.67 0.33 2.92 1.01 0.16 -4.98 120.40 124.96 1wuq s VAL 99 Ca 0.05 -1.66 0.08 0.00 0.00 0.00 0.00 61.98 60.44 1wuq s VAL 99 Cb -0.13 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1wuq s VAL 99 CO -0.11 -0.52 0.17 -1.59 0.00 0.00 0.00 175.10 173.05 1wuq s LYS 100 N 1.29 2.45 -1.14 2.72 -2.85 -1.26 -0.11 119.74 120.84 1wuq s LYS 100 Ca 0.04 -1.48 0.00 0.00 -1.00 0.00 0.00 55.97 53.52 1wuq s LYS 100 Cb -0.23 -2.24 0.00 0.00 -2.06 0.00 0.00 37.83 33.30 1wuq s LYS 100 CO -0.01 0.12 0.00 0.41 0.10 0.00 0.00 175.35 175.97 1wuq n GLY 101 N -1.19 0.09 3.57 0.59 0.00 -1.21 -4.95 105.19 102.08 1wuq n GLY 101 Ca -0.03 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 1wuq n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wuq s VAL 102 N -2.62 3.78 0.52 1.61 1.01 -0.58 -4.81 120.40 119.32 1wuq s VAL 102 Ca 0.00 0.60 -0.22 0.00 0.00 0.00 0.00 61.98 62.36 1wuq s VAL 102 Cb 0.00 -4.63 -0.06 0.00 0.00 0.00 0.00 36.38 31.69 1wuq s VAL 102 CO 0.00 -1.43 1.29 -1.83 0.00 0.00 0.00 175.10 173.13 1wuq s GLU 103 N 5.58 3.34 0.04 2.72 1.03 -1.26 -0.19 118.70 129.96 1wuq s GLU 103 Ca 0.45 2.06 -0.06 0.00 0.03 0.00 0.00 54.97 57.45 1wuq s GLU 103 Cb -0.09 -2.29 -0.01 0.00 -0.80 0.00 0.00 34.13 30.94 1wuq s GLU 103 CO 0.21 -0.98 0.11 -0.59 -1.33 0.00 0.00 175.26 172.68 1wuq s PHE 104 N -1.40 0.18 -0.02 4.83 -0.12 -0.28 -4.85 117.98 116.32 1wuq s PHE 104 Ca 0.69 -0.47 0.01 0.00 -0.05 0.00 0.00 56.93 57.11 1wuq s PHE 104 Cb -0.36 -0.13 0.01 0.00 -0.63 0.00 0.00 43.02 41.91 1wuq s PHE 104 CO 0.43 -0.37 -0.05 0.71 -0.05 0.00 0.00 175.22 175.88 1wuq s TYR 105 N -2.59 0.64 0.32 3.49 2.02 -1.26 -1.71 117.35 118.26 1wuq s TYR 105 Ca -0.05 -0.15 0.01 0.00 -0.37 0.00 0.00 57.07 56.51 1wuq s TYR 105 Cb -0.01 -0.51 -0.01 0.00 -0.40 0.00 0.00 41.96 41.02 1wuq s TYR 105 CO -0.04 -0.10 0.37 0.45 -1.57 0.00 0.00 175.55 174.66 1wuq s SER 106 N 0.41 1.09 -0.06 2.29 0.15 0.01 -4.30 113.70 113.28 1wuq s SER 106 Ca -0.05 -1.56 0.04 0.00 0.70 0.00 0.00 55.95 55.08 1wuq s SER 106 Cb -0.09 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 1wuq s SER 106 CO -0.00 -1.16 -0.18 -0.04 1.20 0.00 0.00 173.24 173.05 1wuq s MET 107 N -3.34 2.11 0.10 5.44 -1.94 -1.23 -1.11 119.30 119.33 1wuq s MET 107 Ca 0.35 -0.66 -0.30 0.00 -1.71 0.00 0.00 55.69 53.37 1wuq s MET 107 Cb 0.01 -1.74 -0.06 0.00 2.01 0.00 0.00 34.83 35.05 1wuq s MET 107 CO 0.22 0.20 1.07 0.00 -0.01 0.00 0.00 175.02 176.50 1wuq h GLU 109 N 5.98 0.00 0.21 0.00 4.11 -1.40 0.22 114.58 123.70 1wuq h GLU 109 Ca -0.43 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 58.69 1wuq h GLU 109 Cb 1.21 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.49 1wuq h GLU 109 CO 0.75 0.00 -1.42 0.45 0.07 0.00 0.00 179.01 178.86 1wuq h HIS 110 N 0.00 0.80 0.00 2.06 3.86 -1.91 -3.40 115.15 116.55 1wuq h HIS 110 Ca 0.00 -0.58 0.00 0.00 -1.16 0.00 0.00 60.37 58.63 1wuq h HIS 110 Cb 0.28 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1wuq h HIS 110 CO 0.00 1.47 0.00 0.72 0.86 0.00 0.00 177.93 180.98 1wuq n HIS 111 N -3.64 0.00 -3.09 2.45 8.25 -1.17 -5.02 115.22 113.00 1wuq n HIS 111 Ca -0.14 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.11 1wuq n HIS 111 Cb 1.08 0.00 0.04 0.00 1.12 0.00 0.00 29.99 32.23 1wuq n HIS 111 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1wuq n LEU 112 N -0.54 -2.78 -4.47 2.41 4.77 0.77 -5.00 117.00 112.17 1wuq n LEU 112 Ca 0.00 -0.32 -0.30 0.00 -0.03 0.00 0.00 56.01 55.36 1wuq n LEU 112 Cb 0.02 -2.77 -0.12 0.00 -2.33 0.00 0.00 43.42 38.22 1wuq n LEU 112 CO 0.00 0.31 -0.49 -0.76 -1.33 0.00 0.00 177.39 175.12 1wuq s LEU 113 N -6.27 2.63 0.54 2.23 1.43 -1.25 -4.86 118.68 113.13 1wuq s LEU 113 Ca 0.34 -0.48 -0.21 0.00 -1.03 0.00 0.00 54.13 52.76 1wuq s LEU 113 Cb -0.15 -1.52 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 1wuq s LEU 113 CO 0.43 0.23 1.22 -2.84 0.23 0.00 0.00 176.35 175.62 1wuq s PRO 114 N -1.68 3.29 -0.01 1.29 0.02 -1.26 -1.24 135.00 135.41 1wuq s PRO 114 Ca 0.16 1.89 -0.00 0.00 0.02 0.00 0.00 61.00 63.06 1wuq s PRO 114 Cb -0.10 -2.16 0.01 0.00 0.02 0.00 0.00 34.50 32.27 1wuq s PRO 114 CO 0.07 -0.96 0.02 -0.59 -0.33 0.00 0.00 177.00 175.20 1wuq s PHE 115 N -1.52 0.01 0.25 6.54 -0.71 -0.27 -1.96 117.98 120.31 1wuq s PHE 115 Ca 0.71 0.08 -0.11 0.00 -1.04 0.00 0.00 56.93 56.57 1wuq s PHE 115 Cb -0.32 -0.11 -0.01 0.00 -1.21 0.00 0.00 43.02 41.38 1wuq s PHE 115 CO 0.36 -0.05 0.46 -0.59 -1.34 0.00 0.00 175.22 174.07 1wuq s PHE 116 N 0.52 0.46 0.00 3.49 -0.71 -0.59 -0.81 117.98 120.35 1wuq s PHE 116 Ca -0.04 -0.81 0.00 0.00 -1.04 0.00 0.00 56.93 55.04 1wuq s PHE 116 Cb -0.06 0.13 0.00 0.00 -1.21 0.00 0.00 43.02 41.88 1wuq s PHE 116 CO -0.02 -0.99 0.00 0.41 -1.34 0.00 0.00 175.22 173.29 1wuq n GLY 117 N -0.39 -0.51 3.05 1.99 0.00 -0.69 -0.50 105.19 108.13 1wuq n GLY 117 Ca -0.01 0.07 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 1wuq n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wuq s LYS 118 N 0.00 0.49 -0.08 1.61 1.02 -0.32 -1.12 119.74 121.34 1wuq s LYS 118 Ca 0.00 -0.98 0.04 0.00 0.02 0.00 0.00 55.97 55.04 1wuq s LYS 118 Cb 0.00 0.17 0.00 0.00 -0.52 0.00 0.00 37.83 37.48 1wuq s LYS 118 CO 0.00 -0.09 -0.20 0.08 -0.92 0.00 0.00 175.35 174.23 1wuq s VAL 119 N -2.96 1.69 -0.13 3.17 1.01 0.73 -1.29 120.40 122.63 1wuq s VAL 119 Ca -0.02 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1wuq s VAL 119 Cb 0.01 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1wuq s VAL 119 CO -0.06 0.48 -0.17 -1.00 0.00 0.00 0.00 175.10 174.35 1wuq s HIS 120 N 0.36 2.74 -0.08 5.22 0.09 0.33 -1.52 115.29 122.43 1wuq s HIS 120 Ca -0.15 -0.89 0.04 0.00 -0.00 0.00 0.00 55.06 54.07 1wuq s HIS 120 Cb -0.16 -1.82 -0.00 0.00 -0.00 0.00 0.00 32.58 30.59 1wuq s HIS 120 CO 0.06 -0.36 -0.22 0.42 -0.00 0.00 0.00 174.74 174.65 1wuq s ILE 121 N 0.51 1.84 -0.01 0.60 1.01 0.85 -0.60 121.20 125.40 1wuq s ILE 121 Ca -0.11 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.66 1wuq s ILE 121 Cb -0.16 -1.59 -0.00 0.00 0.01 0.00 0.00 42.46 40.71 1wuq s ILE 121 CO 0.04 0.51 -0.10 -0.83 0.00 0.00 0.00 174.94 174.57 1wuq s GLY 122 N 0.24 0.52 0.04 6.18 0.00 0.52 0.35 107.32 115.17 1wuq s GLY 122 Ca -0.13 -0.41 -0.23 0.00 0.00 0.00 0.00 44.72 43.95 1wuq s GLY 122 CO 0.06 -0.28 0.53 -2.52 0.00 0.00 0.00 173.10 170.89 1wuq s TYR 123 N -0.11 -0.44 -0.27 1.90 -0.85 -0.38 0.70 117.35 117.91 1wuq s TYR 123 Ca 0.02 0.51 -0.02 0.00 -0.52 0.00 0.00 57.07 57.06 1wuq s TYR 123 Cb -0.05 0.35 0.03 0.00 0.38 0.00 0.00 41.96 42.67 1wuq s TYR 123 CO -0.00 -0.64 -0.03 0.42 -1.52 0.00 0.00 175.55 173.77 1wuq s ILE 124 N -2.38 2.97 1.01 -3.49 1.01 -0.99 -0.86 121.20 118.47 1wuq s ILE 124 Ca -0.06 -1.13 -0.12 0.00 0.00 0.00 0.00 60.65 59.35 1wuq s ILE 124 Cb -0.01 -2.58 0.20 0.00 0.01 0.00 0.00 42.46 40.08 1wuq s ILE 124 CO -0.01 0.09 1.08 -2.16 0.00 0.00 0.00 174.94 173.94 1wuq s PRO 125 N 1.31 0.29 -0.39 2.79 0.04 -1.26 -0.51 135.00 137.26 1wuq s PRO 125 Ca -0.02 1.04 0.08 0.00 0.04 0.00 0.00 61.00 62.15 1wuq s PRO 125 Cb -0.18 -1.68 0.26 0.00 0.04 0.00 0.00 34.50 32.95 1wuq s PRO 125 CO -0.03 -2.97 0.58 -3.47 0.04 0.00 0.00 177.00 171.15 1wuq n ASP 126 N -4.41 0.04 0.00 6.66 2.03 -1.26 -4.12 116.55 115.49 1wuq n ASP 126 Ca 0.07 -2.78 0.00 0.00 0.52 0.00 0.00 54.79 52.59 1wuq n ASP 126 Cb 0.54 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 1wuq n ASP 126 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wuq n GLY 127 N 1.26 2.51 3.02 0.27 0.00 -1.26 -4.83 105.19 106.16 1wuq n GLY 127 Ca 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 1wuq n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wuq s LYS 128 N -0.23 1.06 0.10 1.61 1.02 -1.26 -1.03 119.74 121.02 1wuq s LYS 128 Ca 0.00 -0.35 0.08 0.00 0.02 0.00 0.00 55.97 55.72 1wuq s LYS 128 Cb 0.00 -0.98 -0.03 0.00 -0.52 0.00 0.00 37.83 36.30 1wuq s LYS 128 CO 0.00 0.14 -0.21 0.96 -0.92 0.00 0.00 175.35 175.32 1wuq s ILE 129 N 0.15 1.69 0.15 2.17 -4.36 0.29 -4.61 121.20 116.68 1wuq s ILE 129 Ca -0.03 -1.52 0.02 0.00 -0.26 0.00 0.00 60.65 58.86 1wuq s ILE 129 Cb -0.09 -1.54 -0.04 0.00 1.25 0.00 0.00 42.46 42.05 1wuq s ILE 129 CO 0.01 -0.05 0.29 -0.22 0.24 0.00 0.00 174.94 175.20 1wuq s LEU 130 N -1.87 4.33 0.11 0.37 2.96 -1.26 -0.79 118.68 122.53 1wuq s LEU 130 Ca 0.06 0.20 -0.31 0.00 -0.22 0.00 0.00 54.13 53.86 1wuq s LEU 130 Cb -0.10 -2.94 -0.08 0.00 0.50 0.00 0.00 46.19 43.57 1wuq s LEU 130 CO 0.04 0.05 1.46 -0.83 -1.32 0.00 0.00 176.35 175.75 1wuq s GLY 131 N -3.17 1.82 0.27 7.98 0.00 -0.08 -4.90 107.32 109.25 1wuq s GLY 131 Ca 0.35 1.16 -0.02 0.00 0.00 0.00 0.00 44.72 46.21 1wuq s GLY 131 CO 0.28 2.48 1.62 1.41 0.00 0.00 0.00 173.10 178.90 1wuq h LEU 132 N 7.16 -0.29 -1.90 0.66 3.38 -1.97 -0.82 115.31 121.53 1wuq h LEU 132 Ca -0.42 0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1wuq h LEU 132 Cb 1.20 0.36 -0.00 0.00 0.09 0.00 0.00 40.66 42.31 1wuq h LEU 132 CO 0.89 -0.22 -0.09 0.28 0.09 0.00 0.00 178.44 179.39 1wuq h SER 133 N 0.11 0.00 0.33 -0.43 0.02 -1.99 -2.51 113.55 109.07 1wuq h SER 133 Ca 0.50 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.42 1wuq h SER 133 Cb 0.97 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 1wuq h SER 133 CO -0.73 0.09 -0.14 0.11 -1.14 0.00 0.00 176.83 175.02 1wuq h LYS 134 N 0.00 0.00 -0.64 3.45 1.79 -1.48 -1.52 116.57 118.17 1wuq h LYS 134 Ca -0.00 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 1wuq h LYS 134 Cb 0.17 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 1wuq h LYS 134 CO 0.01 0.14 0.07 0.74 -1.08 0.00 0.00 179.45 179.32 1wuq h PHE 135 N 0.00 1.16 -0.44 -1.35 0.04 -1.54 0.10 116.94 114.91 1wuq h PHE 135 Ca -0.00 -0.18 -0.12 0.00 2.80 0.00 0.00 57.97 60.47 1wuq h PHE 135 Cb 0.34 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 1wuq h PHE 135 CO 0.00 1.00 -0.19 0.00 -0.60 0.00 0.00 178.31 178.51 1wuq h ALA 136 N 1.02 0.81 -0.28 2.45 0.00 -1.43 -1.43 119.26 120.42 1wuq h ALA 136 Ca 0.19 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1wuq h ALA 136 Cb 0.49 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1wuq h ALA 136 CO 0.02 0.65 -0.25 0.00 0.00 0.00 0.00 179.25 179.67 1wuq h ARG 137 N 0.77 0.54 -0.44 0.00 3.08 -1.06 -1.64 114.38 115.64 1wuq h ARG 137 Ca 0.11 -0.21 -0.14 0.00 0.07 0.00 0.00 59.98 59.81 1wuq h ARG 137 Cb 0.73 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 1wuq h ARG 137 CO 0.06 0.75 -0.28 0.82 -1.07 0.00 0.00 179.97 180.24 1wuq h ILE 138 N 0.48 1.27 -0.01 2.04 2.04 -0.73 -1.91 117.51 120.69 1wuq h ILE 138 Ca 0.07 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 64.48 1wuq h ILE 138 Cb 0.69 1.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1wuq h ILE 138 CO 0.05 0.49 0.00 0.58 0.00 0.00 0.00 178.15 179.28 1wuq h VAL 139 N 0.81 0.99 -0.60 1.67 2.07 -0.99 -2.76 116.25 117.45 1wuq h VAL 139 Ca 0.09 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 1wuq h VAL 139 Cb 0.86 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1wuq h VAL 139 CO 0.08 0.00 0.31 0.44 0.02 0.00 0.00 177.57 178.42 1wuq h ASP 140 N 0.00 0.75 -0.83 0.57 3.32 -1.24 0.40 116.42 119.39 1wuq h ASP 140 Ca 0.01 -0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.03 1wuq h ASP 140 Cb 0.01 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.32 1wuq h ASP 140 CO -0.01 0.62 0.53 -0.03 -1.72 0.00 0.00 179.24 178.63 1wuq h MET 141 N 0.84 1.00 0.00 3.56 4.05 -1.06 -0.62 114.93 122.70 1wuq h MET 141 Ca 0.21 -0.06 -0.11 0.00 -0.28 0.00 0.00 59.70 59.46 1wuq h MET 141 Cb 0.05 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 30.61 1wuq h MET 141 CO -0.03 0.66 -1.35 1.19 0.23 0.00 0.00 176.91 177.61 1wuq n PHE 142 N -4.57 0.90 0.06 1.39 3.72 -1.01 -4.16 117.46 113.78 1wuq n PHE 142 Ca 0.10 0.29 -0.13 0.00 -0.05 0.00 0.00 57.45 57.66 1wuq n PHE 142 Cb 0.10 -1.02 -0.03 0.00 -0.94 0.00 0.00 39.48 37.59 1wuq n PHE 142 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wuq h ALA 143 N 1.62 0.40 -0.04 4.37 0.00 -0.72 -3.35 119.26 121.55 1wuq h ALA 143 Ca -0.12 -0.69 -0.59 0.00 0.00 0.00 0.00 54.91 53.51 1wuq h ALA 143 Cb 1.40 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1wuq h ALA 143 CO 0.03 0.81 2.99 0.54 0.00 0.00 0.00 179.25 183.62 1wuq n ARG 144 N -3.76 3.43 -3.98 0.00 1.74 -0.26 -4.24 116.66 109.60 1wuq n ARG 144 Ca -0.06 -2.05 -0.13 0.00 -0.77 0.00 0.00 57.85 54.84 1wuq n ARG 144 Cb 0.81 -2.64 -0.01 0.00 -1.02 0.00 0.00 32.46 29.60 1wuq n ARG 144 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1wuq s ARG 145 N 1.75 2.07 -0.02 5.56 0.52 -1.18 -1.72 118.95 125.93 1wuq s ARG 145 Ca 0.69 -1.66 -0.23 0.00 -0.52 0.00 0.00 55.73 54.00 1wuq s ARG 145 Cb 0.21 0.52 -0.05 0.00 0.52 0.00 0.00 34.95 36.15 1wuq s ARG 145 CO -0.05 -0.91 0.69 -0.51 0.02 0.00 0.00 175.30 174.54 1wuq s LEU 146 N -3.18 4.37 0.32 2.53 1.43 -1.26 -3.49 118.68 119.39 1wuq s LEU 146 Ca 0.25 1.25 0.06 0.00 -1.03 0.00 0.00 54.13 54.66 1wuq s LEU 146 Cb -0.02 -3.09 -0.03 0.00 0.03 0.00 0.00 46.19 43.08 1wuq s LEU 146 CO 0.17 -0.03 0.27 -1.10 0.23 0.00 0.00 176.35 175.89 1wuq s GLN 147 N 0.35 1.70 -0.02 1.70 -1.52 0.15 -4.75 119.66 117.27 1wuq s GLN 147 Ca 0.36 -1.97 0.02 0.00 -1.95 0.00 0.00 55.36 51.83 1wuq s GLN 147 Cb -0.19 0.32 -0.00 0.00 -0.22 0.00 0.00 33.01 32.93 1wuq s GLN 147 CO 0.19 -0.63 -0.09 0.14 -0.25 0.00 0.00 175.29 174.66 1wuq s VAL 148 N -3.51 0.71 0.43 1.09 -7.23 -1.26 -1.09 120.40 109.54 1wuq s VAL 148 Ca 0.40 -0.35 0.10 0.00 -1.81 0.00 0.00 61.98 60.32 1wuq s VAL 148 Cb 0.03 -0.62 0.23 0.00 0.56 0.00 0.00 36.38 36.58 1wuq s VAL 148 CO 0.26 0.22 2.04 -0.61 -0.31 0.00 0.00 175.10 176.69 1wuq h GLN 149 N 6.20 0.32 -0.61 4.82 4.15 -2.00 -2.29 115.11 125.70 1wuq h GLN 149 Ca -0.32 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.03 1wuq h GLN 149 Cb 1.17 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.77 1wuq h GLN 149 CO 0.49 0.28 0.23 0.93 -1.93 0.00 0.00 178.83 178.84 1wuq h GLU 150 N 0.33 0.90 -0.08 1.69 3.07 -1.97 -2.95 114.58 115.57 1wuq h GLU 150 Ca 0.08 -0.15 -0.15 0.00 -0.50 0.00 0.00 59.36 58.65 1wuq h GLU 150 Cb 0.09 -0.15 0.01 0.00 -0.84 0.00 0.00 28.75 27.85 1wuq h GLU 150 CO -0.01 0.74 -0.53 -0.09 -1.40 0.00 0.00 179.01 177.72 1wuq h ARG 151 N 0.88 0.50 -0.72 2.33 2.43 -1.86 -3.22 114.38 114.71 1wuq h ARG 151 Ca 0.21 -0.43 0.14 0.00 -0.81 0.00 0.00 59.98 59.09 1wuq h ARG 151 Cb 0.19 0.10 -0.10 0.00 -0.42 0.00 0.00 29.97 29.74 1wuq h ARG 151 CO -0.02 1.07 0.24 1.25 -1.51 0.00 0.00 179.97 181.00 1wuq h LEU 152 N 0.07 0.17 -0.40 3.80 5.85 -1.30 0.05 115.31 123.55 1wuq h LEU 152 Ca -0.05 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1wuq h LEU 152 Cb 1.19 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 1wuq h LEU 152 CO 0.11 0.06 0.16 0.00 -0.34 0.00 0.00 178.44 178.43 1wuq h ALA 153 N 1.55 0.51 -0.15 1.25 0.00 -1.59 -2.15 119.26 118.67 1wuq h ALA 153 Ca 0.40 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1wuq h ALA 153 Cb 0.62 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1wuq h ALA 153 CO -0.43 0.11 0.06 0.28 0.00 0.00 0.00 179.25 179.28 1wuq h VAL 154 N 0.50 1.15 -0.89 0.00 2.07 -1.31 -2.25 116.25 115.52 1wuq h VAL 154 Ca 0.13 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1wuq h VAL 154 Cb 0.18 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1wuq h VAL 154 CO -0.01 0.14 0.49 1.56 0.02 0.00 0.00 177.57 179.77 1wuq h GLN 155 N 0.09 1.23 -0.20 1.57 4.20 -0.99 0.41 115.11 121.43 1wuq h GLN 155 Ca 0.05 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1wuq h GLN 155 Cb 0.17 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1wuq h GLN 155 CO -0.00 0.89 0.06 0.82 -0.67 0.00 0.00 178.83 179.93 1wuq h ILE 156 N 1.24 1.18 -0.64 2.54 2.04 -1.32 -1.08 117.51 121.47 1wuq h ILE 156 Ca 0.31 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 1wuq h ILE 156 Cb 0.02 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1wuq h ILE 156 CO -0.05 0.18 0.32 0.00 0.00 0.00 0.00 178.15 178.60 1wuq h ALA 157 N 0.89 0.82 -0.17 1.87 0.00 -1.09 -1.98 119.26 119.60 1wuq h ALA 157 Ca 0.06 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1wuq h ALA 157 Cb 0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1wuq h ALA 157 CO -0.00 0.37 -0.30 0.93 0.00 0.00 0.00 179.25 180.25 1wuq h GLU 158 N 0.88 0.33 -0.47 0.00 5.08 -0.83 -1.37 114.58 118.21 1wuq h GLU 158 Ca 0.22 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 1wuq h GLU 158 Cb 0.10 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1wuq h GLU 158 CO -0.03 0.61 -0.19 0.00 -1.00 0.00 0.00 179.01 178.40 1wuq h ALA 159 N 1.39 0.78 -0.27 3.43 0.00 -0.85 -1.99 119.26 121.76 1wuq h ALA 159 Ca 0.04 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.43 1wuq h ALA 159 Cb 0.69 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1wuq h ALA 159 CO 0.05 0.66 -0.43 0.82 0.00 0.00 0.00 179.25 180.35 1wuq h ILE 160 N 0.81 1.30 -0.03 0.00 2.04 -1.10 -1.94 117.51 118.58 1wuq h ILE 160 Ca 0.11 -1.62 -0.07 0.00 1.00 0.00 0.00 64.86 64.29 1wuq h ILE 160 Cb 0.74 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 1wuq h ILE 160 CO 0.06 0.52 -0.30 -0.61 0.00 0.00 0.00 178.15 177.81 1wuq h GLN 161 N 0.55 0.05 0.07 2.37 5.75 -1.09 -1.63 115.11 121.17 1wuq h GLN 161 Ca 0.04 -0.02 -0.10 0.00 -0.15 0.00 0.00 58.65 58.42 1wuq h GLN 161 Cb 0.97 -0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.53 1wuq h GLN 161 CO 0.09 0.35 -0.43 1.49 -2.65 0.00 0.00 178.83 177.68 1wuq h GLU 162 N 0.05 0.17 0.64 1.69 4.81 -1.17 -3.36 114.58 117.41 1wuq h GLU 162 Ca 0.01 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 58.93 1wuq h GLU 162 Cb 0.56 0.10 0.01 0.00 0.63 0.00 0.00 28.75 30.05 1wuq h GLU 162 CO 0.04 1.11 -0.31 0.28 -0.73 0.00 0.00 179.01 179.41 1wuq h VAL 163 N -0.62 0.34 -3.21 0.32 2.07 -1.33 -3.42 116.25 110.41 1wuq h VAL 163 Ca -0.07 -0.11 -0.64 0.00 0.82 0.00 0.00 66.70 66.70 1wuq h VAL 163 Cb 1.32 0.38 -0.10 0.00 -1.52 0.00 0.00 31.29 31.37 1wuq h VAL 163 CO 0.08 0.01 -0.62 -0.76 0.02 0.00 0.00 177.57 176.31 1wuq s LEU 164 N -9.93 3.68 -0.70 2.57 1.43 -0.62 -5.05 118.68 110.06 1wuq s LEU 164 Ca -0.17 -0.08 0.05 0.00 -1.03 0.00 0.00 54.13 52.90 1wuq s LEU 164 Cb 0.03 -2.37 0.25 0.00 0.03 0.00 0.00 46.19 44.13 1wuq s LEU 164 CO 0.59 0.17 0.82 -0.62 0.23 0.00 0.00 176.35 177.53 1wuq n GLU 165 N 0.44 2.72 -1.68 1.70 1.02 -1.26 -4.04 120.64 119.54 1wuq n GLU 165 Ca -0.09 -4.65 -0.29 0.00 -0.02 0.00 0.00 57.16 52.10 1wuq n GLU 165 Cb 0.52 -2.29 0.15 0.00 -0.02 0.00 0.00 31.44 29.80 1wuq n GLU 165 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1wuq s PRO 166 N -2.45 0.87 0.43 3.49 0.04 -1.26 -4.44 135.00 131.67 1wuq s PRO 166 Ca 0.38 -0.01 0.18 0.00 0.04 0.00 0.00 61.00 61.59 1wuq s PRO 166 Cb 0.13 -1.83 0.97 0.00 0.04 0.00 0.00 34.50 33.80 1wuq s PRO 166 CO -0.01 -2.33 1.92 1.96 0.04 0.00 0.00 177.00 178.58 1wuq h GLN 167 N -1.58 0.00 -1.45 4.56 1.08 -0.95 -3.46 115.11 113.30 1wuq h GLN 167 Ca -0.47 0.00 0.27 0.00 -1.45 0.00 0.00 58.65 57.00 1wuq h GLN 167 Cb 1.30 0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 28.55 1wuq h GLN 167 CO 0.52 0.26 0.82 0.20 -0.95 0.00 0.00 178.83 179.69 1wuq s GLY 168 N -4.26 -0.31 0.00 3.46 0.00 -1.22 -0.74 107.32 104.25 1wuq s GLY 168 Ca -0.03 1.43 -0.02 0.00 0.00 0.00 0.00 44.72 46.11 1wuq s GLY 168 CO 0.68 0.45 0.02 0.14 0.00 0.00 0.00 173.10 174.39 1wuq s VAL 169 N -2.40 0.06 -0.04 1.40 1.01 -0.30 -2.36 120.40 117.76 1wuq s VAL 169 Ca 0.10 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1wuq s VAL 169 Cb 0.00 -0.19 0.02 0.00 0.00 0.00 0.00 36.38 36.21 1wuq s VAL 169 CO -0.04 -0.26 -0.03 -0.83 0.00 0.00 0.00 175.10 173.94 1wuq s GLY 170 N -0.79 0.37 -0.07 4.51 0.00 0.22 -0.35 107.32 111.21 1wuq s GLY 170 Ca -0.09 0.02 0.02 0.00 0.00 0.00 0.00 44.72 44.67 1wuq s GLY 170 CO -0.00 0.44 -0.12 0.14 0.00 0.00 0.00 173.10 173.56 1wuq s VAL 171 N 0.87 1.13 -0.13 1.40 1.01 -0.28 -0.36 120.40 124.04 1wuq s VAL 171 Ca -0.11 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1wuq s VAL 171 Cb -0.14 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.22 1wuq s VAL 171 CO -0.00 0.36 -0.17 -0.69 0.00 0.00 0.00 175.10 174.59 1wuq s VAL 172 N 0.70 1.69 -0.16 2.92 1.01 0.23 -1.33 120.40 125.47 1wuq s VAL 172 Ca -0.14 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 1wuq s VAL 172 Cb -0.16 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 1wuq s VAL 172 CO 0.03 0.48 -0.10 -0.69 0.00 0.00 0.00 175.10 174.82 1wuq s VAL 173 N 1.11 3.24 -0.14 2.92 1.01 0.40 -0.52 120.40 128.42 1wuq s VAL 173 Ca -0.03 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1wuq s VAL 173 Cb -0.14 -2.40 0.02 0.00 0.00 0.00 0.00 36.38 33.86 1wuq s VAL 173 CO -0.05 0.50 -0.15 -0.70 0.00 0.00 0.00 175.10 174.70 1wuq s GLU 174 N 0.63 2.33 0.12 2.72 2.12 -0.41 -1.05 118.70 125.17 1wuq s GLU 174 Ca -0.06 -0.58 -0.08 0.00 0.36 0.00 0.00 54.97 54.62 1wuq s GLU 174 Cb -0.15 -2.10 -0.01 0.00 0.26 0.00 0.00 34.13 32.13 1wuq s GLU 174 CO 0.03 -0.21 0.22 0.20 -0.54 0.00 0.00 175.26 174.96 1wuq s GLY 175 N 1.39 0.32 -0.02 -1.50 0.00 -0.07 -1.17 107.32 106.26 1wuq s GLY 175 Ca 0.03 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 43.97 1wuq s GLY 175 CO -0.09 -0.86 -0.04 0.54 0.00 0.00 0.00 173.10 172.65 1wuq s VAL 176 N -3.92 3.90 -0.24 1.40 0.11 0.34 -0.79 120.40 121.19 1wuq s VAL 176 Ca 0.12 -0.60 -0.03 0.00 -2.93 0.00 0.00 61.98 58.54 1wuq s VAL 176 Cb 0.04 -2.68 0.01 0.00 -1.53 0.00 0.00 36.38 32.23 1wuq s VAL 176 CO -0.05 0.46 -0.05 -1.00 -3.33 0.00 0.00 175.10 171.13 1wuq s HIS 177 N -0.97 3.03 0.44 1.54 3.76 -1.26 -1.54 115.29 120.29 1wuq s HIS 177 Ca 0.16 -1.33 0.29 0.00 -0.15 0.00 0.00 55.06 54.03 1wuq s HIS 177 Cb -0.11 -2.09 1.56 0.00 1.11 0.00 0.00 32.58 33.05 1wuq s HIS 177 CO 0.06 -0.67 2.11 -0.07 -0.85 0.00 0.00 174.74 175.33 1wuq h LEU 178 N 8.06 0.00 -0.30 0.89 3.38 -1.72 -1.37 115.31 124.24 1wuq h LEU 178 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1wuq h LEU 178 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1wuq h LEU 178 CO 0.59 0.09 0.00 0.00 0.09 0.00 0.00 178.44 179.21 1wuq n MET 180 N -1.89 0.65 -0.13 0.00 2.81 -0.55 -4.40 117.12 113.62 1wuq n MET 180 Ca 0.03 -0.14 -0.23 0.00 -1.81 0.00 0.00 57.70 55.55 1wuq n MET 180 Cb 0.23 -1.42 -0.10 0.00 -0.71 0.00 0.00 33.22 31.22 1wuq n MET 180 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1wuq n MET 181 N -2.01 0.59 -0.10 0.03 2.00 -0.83 -0.71 117.12 116.09 1wuq n MET 181 Ca -0.02 0.20 0.11 0.00 0.00 0.00 0.00 57.70 57.99 1wuq n MET 181 Cb 0.45 -1.47 0.31 0.00 0.00 0.00 0.00 33.22 32.50 1wuq n MET 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1wuq n MET 182 N -3.73 2.04 -3.72 0.03 3.85 0.05 -4.49 117.12 111.14 1wuq n MET 182 Ca -0.48 -1.55 -0.05 0.00 -1.00 0.00 0.00 57.70 54.61 1wuq n MET 182 Cb 0.92 -1.45 0.02 0.00 -1.05 0.00 0.00 33.22 31.66 1wuq n MET 182 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 1wuq n ARG 183 N 0.79 0.83 0.00 3.17 1.85 -1.26 -5.01 116.66 117.03 1wuq n ARG 183 Ca 0.17 -1.73 0.00 0.00 -1.00 0.00 0.00 57.85 55.29 1wuq n ARG 183 Cb 0.45 2.25 0.00 0.00 -1.05 0.00 0.00 32.46 34.11 1wuq n ARG 183 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1wuq n GLY 184 N -0.62 4.34 0.22 2.89 0.00 -1.26 -1.81 105.19 108.95 1wuq n GLY 184 Ca -0.05 0.17 0.15 0.00 0.00 0.00 0.00 46.02 46.29 1wuq n GLY 184 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1wuq h VAL 185 N 0.00 0.00 -6.62 1.61 -1.51 -1.84 -3.47 116.25 104.42 1wuq h VAL 185 Ca 0.00 -0.41 -0.53 0.00 -1.23 0.00 0.00 66.70 64.53 1wuq h VAL 185 Cb 0.00 1.31 -0.12 0.00 -2.13 0.00 0.00 31.29 30.35 1wuq h VAL 185 CO 0.00 0.00 -0.87 -0.62 -1.23 0.00 0.00 177.57 174.85 1wuq n GLU 186 N -2.75 -3.18 -2.95 5.19 1.02 -0.74 -4.94 120.64 112.29 1wuq n GLU 186 Ca 0.01 0.38 -0.40 0.00 -0.02 0.00 0.00 57.16 57.14 1wuq n GLU 186 Cb 0.28 -4.71 -0.06 0.00 -0.02 0.00 0.00 31.44 26.93 1wuq n GLU 186 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1wuq s LYS 187 N -6.75 4.57 -0.15 3.49 -0.14 0.11 -4.90 119.74 115.98 1wuq s LYS 187 Ca 0.30 1.17 0.15 0.00 -1.36 0.00 0.00 55.97 56.23 1wuq s LYS 187 Cb -0.16 -3.30 -0.21 0.00 -1.68 0.00 0.00 37.83 32.48 1wuq s LYS 187 CO 0.91 0.47 0.08 1.04 -0.76 0.00 0.00 175.35 177.09 1wuq n GLN 188 N 1.98 1.28 0.00 1.68 1.13 -1.26 -4.00 117.38 118.19 1wuq n GLN 188 Ca -0.04 -0.02 0.12 0.00 -1.94 0.00 0.00 57.00 55.12 1wuq n GLN 188 Cb 0.49 -1.42 0.21 0.00 0.11 0.00 0.00 30.24 29.63 1wuq n GLN 188 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1wuq n HIS 189 N -2.56 0.00 -2.43 1.08 8.25 -1.26 -4.99 115.22 113.31 1wuq n HIS 189 Ca -0.24 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 56.86 1wuq n HIS 189 Cb 0.98 -0.09 -0.02 0.00 1.12 0.00 0.00 29.99 31.97 1wuq n HIS 189 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1wuq s SER 190 N -2.60 6.31 -0.06 0.41 0.15 -1.26 -5.07 113.70 111.58 1wuq s SER 190 Ca 0.20 2.09 -0.09 0.00 0.70 0.00 0.00 55.95 58.84 1wuq s SER 190 Cb 0.18 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 61.93 1wuq s SER 190 CO 0.59 -0.81 0.24 -0.60 1.20 0.00 0.00 173.24 173.85 1wuq s ARG 191 N -2.92 0.39 -0.06 5.44 3.52 -1.26 -4.75 118.95 119.32 1wuq s ARG 191 Ca 0.65 0.10 0.05 0.00 -0.13 0.00 0.00 55.73 56.39 1wuq s ARG 191 Cb -0.22 0.18 -0.02 0.00 -1.56 0.00 0.00 34.95 33.33 1wuq s ARG 191 CO 0.26 -0.08 -0.19 0.99 -0.81 0.00 0.00 175.30 175.47 1wuq s THR 192 N -0.43 2.58 -0.11 4.11 2.01 0.03 -4.96 115.64 118.87 1wuq s THR 192 Ca -0.05 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.09 1wuq s THR 192 Cb -0.04 -1.98 -0.00 0.00 0.01 0.00 0.00 72.50 70.49 1wuq s THR 192 CO 0.01 0.57 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.61 1wuq s VAL 193 N -0.41 2.29 0.13 3.82 1.01 -1.26 -0.89 120.40 125.09 1wuq s VAL 193 Ca 0.04 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.13 1wuq s VAL 193 Cb -0.12 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1wuq s VAL 193 CO 0.02 0.55 -0.10 0.42 0.00 0.00 0.00 175.10 175.98 1wuq s THR 194 N 0.39 1.09 0.30 3.92 -4.23 -0.22 -4.99 115.64 111.90 1wuq s THR 194 Ca -0.16 -1.89 -0.10 0.00 -1.18 0.00 0.00 61.69 58.36 1wuq s THR 194 Cb -0.17 -1.65 0.01 0.00 1.34 0.00 0.00 72.50 72.02 1wuq s THR 194 CO 0.07 -0.66 0.53 -0.94 -0.54 0.00 0.00 174.62 173.09 1wuq s SER 195 N -2.86 0.22 -0.20 3.99 1.04 -1.26 -0.45 113.70 114.18 1wuq s SER 195 Ca 0.12 -1.12 -0.09 0.00 0.48 0.00 0.00 55.95 55.34 1wuq s SER 195 Cb 0.00 0.66 0.08 0.00 0.10 0.00 0.00 66.02 66.86 1wuq s SER 195 CO 0.00 -1.28 0.45 0.00 0.98 0.00 0.00 173.24 173.39 1wuq s ALA 196 N -3.46 -1.21 -0.11 5.32 0.00 -0.44 -4.67 121.76 117.19 1wuq s ALA 196 Ca 0.23 1.63 0.03 0.00 0.00 0.00 0.00 51.96 53.85 1wuq s ALA 196 Cb -0.01 -1.19 -0.00 0.00 0.00 0.00 0.00 23.12 21.91 1wuq s ALA 196 CO 0.13 -0.53 -0.21 -1.64 0.00 0.00 0.00 175.76 173.51 1wuq s MET 197 N 2.04 3.14 0.09 0.00 -1.94 -1.26 -1.12 119.30 120.25 1wuq s MET 197 Ca -0.06 -0.82 0.06 0.00 -1.71 0.00 0.00 55.69 53.16 1wuq s MET 197 Cb -0.10 -2.39 -0.03 0.00 2.01 0.00 0.00 34.83 34.31 1wuq s MET 197 CO -0.14 0.19 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.40 1wuq s LEU 198 N 0.34 2.31 0.00 -0.03 1.43 0.52 -4.50 118.68 118.76 1wuq s LEU 198 Ca -0.17 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 52.25 1wuq s LEU 198 Cb -0.17 -0.61 0.00 0.00 0.03 0.00 0.00 46.19 45.44 1wuq s LEU 198 CO 0.08 -0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.21 1wuq n GLY 199 N 1.04 2.94 0.28 -3.19 0.00 -1.26 -1.16 105.19 103.85 1wuq n GLY 199 Ca -0.19 -0.28 0.14 0.00 0.00 0.00 0.00 46.02 45.69 1wuq n GLY 199 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1wuq h VAL 200 N 0.00 0.52 0.00 1.61 -1.51 -1.27 -0.68 116.25 114.92 1wuq h VAL 200 Ca 0.00 -0.27 -0.03 0.00 -1.23 0.00 0.00 66.70 65.16 1wuq h VAL 200 Cb 0.00 1.18 -0.00 0.00 -2.13 0.00 0.00 31.29 30.33 1wuq h VAL 200 CO 0.00 0.06 -0.16 -0.26 -1.23 0.00 0.00 177.57 175.98 1wuq h PHE 201 N 0.00 0.00 0.03 5.19 0.04 -1.74 0.41 116.94 120.87 1wuq h PHE 201 Ca -0.00 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.41 1wuq h PHE 201 Cb 0.17 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.27 1wuq h PHE 201 CO 0.00 0.16 -2.20 -2.13 -0.60 0.00 0.00 178.31 173.54 1wuq n ARG 202 N -3.42 0.68 0.02 1.51 0.63 -0.61 -4.40 116.66 111.08 1wuq n ARG 202 Ca -0.01 0.17 -0.01 0.00 -0.92 0.00 0.00 57.85 57.08 1wuq n ARG 202 Cb 0.35 -1.62 -0.01 0.00 0.45 0.00 0.00 32.46 31.64 1wuq n ARG 202 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1wuq h GLU 203 N 0.02 -0.08 -6.48 -0.14 5.08 -0.98 -3.44 114.58 108.56 1wuq h GLU 203 Ca -0.48 0.01 -0.57 0.00 -1.00 0.00 0.00 59.36 57.31 1wuq h GLU 203 Cb 2.04 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 31.25 1wuq h GLU 203 CO 0.01 -0.05 1.05 1.21 -1.00 0.00 0.00 179.01 180.23 1wuq s ASN 204 N -3.42 6.42 0.22 1.42 3.84 0.14 -4.92 114.94 118.64 1wuq s ASN 204 Ca -0.01 0.95 -0.05 0.00 0.21 0.00 0.00 52.86 53.96 1wuq s ASN 204 Cb 0.00 -2.54 0.19 0.00 -0.55 0.00 0.00 41.25 38.35 1wuq s ASN 204 CO 0.04 -1.34 1.67 -0.61 -2.79 0.00 0.00 177.10 174.06 1wuq h GLN 205 N 10.36 0.87 0.00 0.43 -0.00 -1.85 -2.63 115.11 122.28 1wuq h GLN 205 Ca -0.27 -0.30 -0.07 0.00 -0.00 0.00 0.00 58.65 58.01 1wuq h GLN 205 Cb 1.10 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 28.51 1wuq h GLN 205 CO 1.07 0.93 -0.31 0.87 0.00 0.00 0.00 178.83 181.38 1wuq h LYS 206 N 0.78 0.00 -0.09 1.69 1.79 -1.93 -0.69 116.57 118.11 1wuq h LYS 206 Ca 0.13 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.50 1wuq h LYS 206 Cb 0.61 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 1wuq h LYS 206 CO 0.04 0.31 -0.33 1.15 -1.08 0.00 0.00 179.45 179.54 1wuq h THR 207 N 0.00 1.40 -0.36 -0.16 2.02 -1.80 -1.60 112.91 112.40 1wuq h THR 207 Ca -0.00 -1.69 -0.01 0.00 0.77 0.00 0.00 66.41 65.48 1wuq h THR 207 Cb 0.66 2.21 -0.02 0.00 -1.74 0.00 0.00 68.15 69.27 1wuq h THR 207 CO 0.04 0.49 0.18 -0.09 0.37 0.00 0.00 175.52 176.51 1wuq h ARG 208 N -0.06 0.51 -0.99 6.66 2.43 -1.24 -1.52 114.38 120.18 1wuq h ARG 208 Ca -0.02 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1wuq h ARG 208 Cb 0.97 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.37 1wuq h ARG 208 CO 0.07 0.45 0.65 1.49 -1.51 0.00 0.00 179.97 181.12 1wuq h GLU 209 N 0.45 1.28 -0.46 0.20 4.81 -1.16 -0.49 114.58 119.21 1wuq h GLU 209 Ca 0.12 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 1wuq h GLU 209 Cb 0.10 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 1wuq h GLU 209 CO -0.02 0.84 -0.14 1.49 -0.73 0.00 0.00 179.01 180.46 1wuq h GLU 210 N 1.31 0.87 -0.20 1.92 4.81 -0.96 -0.79 114.58 121.55 1wuq h GLU 210 Ca 0.37 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1wuq h GLU 210 Cb -0.12 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1wuq h GLU 210 CO -0.09 0.95 0.03 0.35 -0.73 0.00 0.00 179.01 179.52 1wuq h PHE 211 N 0.77 0.36 -0.59 0.92 -0.00 -0.56 -2.76 116.94 115.07 1wuq h PHE 211 Ca 0.12 -0.05 -0.05 0.00 -0.00 0.00 0.00 57.97 57.99 1wuq h PHE 211 Cb 0.66 -0.10 -0.03 0.00 -0.00 0.00 0.00 35.95 36.49 1wuq h PHE 211 CO 0.04 0.48 0.16 -0.07 -0.00 0.00 0.00 178.31 178.92 1wuq h LEU 212 N 0.13 0.86 -1.13 0.59 3.38 -0.98 -2.67 115.31 115.48 1wuq h LEU 212 Ca 0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1wuq h LEU 212 Cb 0.32 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1wuq h LEU 212 CO 0.00 0.83 0.46 0.28 0.09 0.00 0.00 178.44 180.10 1wuq h SER 213 N 0.88 0.93 0.30 -0.43 0.02 -1.07 -1.31 113.55 112.88 1wuq h SER 213 Ca 0.19 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1wuq h SER 213 Cb 0.30 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 1wuq h SER 213 CO -0.00 0.72 -0.00 0.45 -1.14 0.00 0.00 176.83 176.86 1wuq h HIS 214 N 1.07 0.00 0.00 3.45 3.86 -1.18 -2.20 115.15 120.15 1wuq h HIS 214 Ca 0.28 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.47 1wuq h HIS 214 Cb -0.03 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.44 1wuq h HIS 214 CO 0.00 0.00 -0.69 -0.07 0.86 0.00 0.00 177.93 178.04 1wuq h LEU 215 N 0.00 0.00 -0.28 2.43 3.38 -1.24 -3.52 115.31 116.08 1wuq h LEU 215 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wuq h LEU 215 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1wuq h LEU 215 CO 0.00 0.08 0.00 0.54 0.09 0.00 0.00 178.44 179.15