#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 5.86 0.39 6.55 -1.08 -1.26 -4.83 116.67 122.30 1wuq s ASP 34 Ca 0.00 -1.30 0.06 0.00 -0.52 0.00 0.00 52.55 50.80 1wuq s ASP 34 Cb 0.00 -2.57 0.81 0.00 -1.46 0.00 0.00 42.92 39.70 1wuq s ASP 34 CO 0.00 -2.12 2.03 -0.07 0.52 0.00 0.00 175.17 175.53 1wuq h LEU 35 N 15.26 0.54 -0.62 -1.34 3.38 -1.99 -2.39 115.31 128.15 1wuq h LEU 35 Ca 0.19 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1wuq h LEU 35 Cb 0.98 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 1wuq h LEU 35 CO 1.33 0.38 0.32 -0.33 0.09 0.00 0.00 178.44 180.23 1wuq h GLU 36 N 0.64 0.89 -0.42 1.13 4.39 -2.00 -0.16 114.58 119.05 1wuq h GLU 36 Ca 0.20 -0.12 -0.13 0.00 0.34 0.00 0.00 59.36 59.64 1wuq h GLU 36 Cb 0.02 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 1wuq h GLU 36 CO -0.05 0.70 -0.27 -0.09 -1.16 0.00 0.00 179.01 178.14 1wuq h ARG 37 N 0.85 0.90 -0.62 2.33 9.65 -1.86 -2.27 114.38 123.36 1wuq h ARG 37 Ca 0.22 -0.40 -0.01 0.00 -1.10 0.00 0.00 59.98 58.69 1wuq h ARG 37 Cb 0.09 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.62 1wuq h ARG 37 CO -0.03 1.05 0.35 -0.07 2.80 0.00 0.00 179.97 184.08 1wuq h LEU 38 N 0.76 0.76 -0.79 3.80 3.38 -1.13 -0.51 115.31 121.58 1wuq h LEU 38 Ca 0.09 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1wuq h LEU 38 Cb 0.83 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1wuq h LEU 38 CO 0.07 0.61 0.50 1.56 0.09 0.00 0.00 178.44 181.28 1wuq h GLN 39 N 0.84 1.05 -0.39 1.13 4.20 -0.85 0.18 115.11 121.26 1wuq h GLN 39 Ca 0.22 -0.08 -0.07 0.00 0.06 0.00 0.00 58.65 58.78 1wuq h GLN 39 Cb 0.01 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 1wuq h GLN 39 CO -0.04 0.71 -0.04 0.00 -0.67 0.00 0.00 178.83 178.79 1wuq h ALA 40 N 1.27 0.53 -0.73 3.87 0.00 -1.03 -1.34 119.26 121.84 1wuq h ALA 40 Ca 0.29 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1wuq h ALA 40 Cb -0.09 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1wuq h ALA 40 CO -0.06 0.35 0.29 -0.07 0.00 0.00 0.00 179.25 179.76 1wuq h LEU 41 N 0.54 1.01 -0.64 0.00 3.38 -0.70 -2.08 115.31 116.82 1wuq h LEU 41 Ca 0.11 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 1wuq h LEU 41 Cb 0.54 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1wuq h LEU 41 CO 0.03 0.91 -0.20 0.00 0.09 0.00 0.00 178.44 179.27 1wuq h ALA 42 N 1.14 0.83 -0.55 1.53 0.00 -0.88 -0.76 119.26 120.56 1wuq h ALA 42 Ca 0.24 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1wuq h ALA 42 Cb 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1wuq h ALA 42 CO -0.02 0.65 0.05 0.00 0.00 0.00 0.00 179.25 179.93 1wuq h ALA 43 N 1.02 1.06 -0.06 0.00 0.00 -1.01 -1.59 119.26 118.67 1wuq h ALA 43 Ca 0.11 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 1wuq h ALA 43 Cb 0.73 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1wuq h ALA 43 CO 0.06 0.60 -0.69 1.49 0.00 0.00 0.00 179.25 180.71 1wuq h GLU 44 N 0.84 0.26 -0.26 0.00 4.81 -1.19 -2.85 114.58 116.20 1wuq h GLU 44 Ca 0.17 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1wuq h GLU 44 Cb 0.43 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1wuq h GLU 44 CO 0.01 0.85 0.17 2.35 -0.73 0.00 0.00 179.01 181.66 1wuq h TRP 45 N 0.18 0.33 -0.89 0.92 2.91 -0.68 -0.04 115.95 118.68 1wuq h TRP 45 Ca -0.02 0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.06 1wuq h TRP 45 Cb 1.23 -0.11 -0.06 0.00 -0.51 0.00 0.00 29.16 29.71 1wuq h TRP 45 CO 0.03 0.23 0.57 -0.07 -1.03 0.00 0.00 178.44 178.16 1wuq h LEU 46 N 0.34 0.91 -0.15 0.65 3.38 -1.23 -1.69 115.31 117.51 1wuq h LEU 46 Ca 0.09 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1wuq h LEU 46 Cb -0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1wuq h LEU 46 CO -0.02 0.59 0.04 -0.61 0.09 0.00 0.00 178.44 178.54 1wuq h GLN 47 N 1.05 0.24 -0.50 1.13 4.15 -1.14 -0.88 115.11 119.17 1wuq h GLN 47 Ca 0.38 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.69 1wuq h GLN 47 Cb 0.12 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 1wuq h GLN 47 CO -0.16 0.38 0.10 0.28 -1.93 0.00 0.00 178.83 177.51 1wuq h VAL 48 N 0.06 1.22 0.00 2.39 2.07 -0.56 -2.10 116.25 119.33 1wuq h VAL 48 Ca 0.05 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1wuq h VAL 48 Cb 0.25 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1wuq h VAL 48 CO -0.00 0.29 0.00 2.30 0.02 0.00 0.00 177.57 180.18 1wuq n ILE 49 N -4.28 0.35 0.00 4.57 -5.35 -0.68 -4.88 119.36 109.10 1wuq n ILE 49 Ca 0.03 0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.60 1wuq n ILE 49 Cb 0.23 -0.71 0.00 0.00 -1.74 0.00 0.00 39.64 37.42 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 0.71 0.71 3.93 3.28 0.00 -0.79 -5.11 105.19 107.92 1wuq n GLY 50 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.75 1.57 -0.45 1.61 0.41 -0.34 -5.01 118.70 115.73 1wuq s GLU 51 Ca 0.00 -0.36 -0.09 0.00 -0.41 0.00 0.00 54.97 54.10 1wuq s GLU 51 Cb 0.00 -2.05 0.10 0.00 -1.78 0.00 0.00 34.13 30.41 1wuq s GLU 51 CO 0.00 -1.72 0.31 0.34 -0.49 0.00 0.00 175.26 173.70 1wuq s ASP 52 N -4.68 5.68 0.54 -0.19 2.15 -1.26 -4.31 116.67 114.59 1wuq s ASP 52 Ca 0.66 -1.76 0.36 0.00 0.43 0.00 0.00 52.55 52.24 1wuq s ASP 52 Cb -0.08 -2.00 1.97 0.00 -0.30 0.00 0.00 42.92 42.51 1wuq s ASP 52 CO 0.48 -0.64 2.11 -0.65 -0.17 0.00 0.00 175.17 176.31 1wuq h PRO 53 N 8.43 0.00 0.00 4.34 0.11 -1.89 -2.11 132.00 140.88 1wuq h PRO 53 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1wuq h PRO 53 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1wuq h PRO 53 CO 0.82 0.00 -0.75 0.41 -0.21 0.00 0.00 178.00 178.27 1wuq n GLY 54 N -1.14 -1.28 3.77 -0.55 0.00 -1.26 -4.17 105.19 100.55 1wuq n GLY 54 Ca -0.02 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 1wuq n GLY 54 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wuq s ARG 55 N -3.13 3.45 0.28 1.61 1.70 -0.80 -4.80 118.95 117.27 1wuq s ARG 55 Ca 0.07 1.81 -0.05 0.00 -0.47 0.00 0.00 55.73 57.09 1wuq s ARG 55 Cb 0.15 -2.22 0.55 0.00 -0.57 0.00 0.00 34.95 32.86 1wuq s ARG 55 CO 0.75 -0.81 1.58 1.49 -1.08 0.00 0.00 175.30 177.23 1wuq h GLU 56 N 1.59 0.02 0.00 3.89 4.81 -1.92 -1.15 114.58 121.82 1wuq h GLU 56 Ca -0.50 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1wuq h GLU 56 Cb 1.27 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1wuq h GLU 56 CO 0.58 0.01 0.00 0.78 -0.73 0.00 0.00 179.01 179.65 1wuq h GLY 57 N 0.02 0.00 -0.64 1.92 0.00 -1.95 -3.13 103.07 99.29 1wuq h GLY 57 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1wuq h GLY 57 CO -0.91 0.00 -0.32 1.04 0.00 0.00 0.00 176.54 176.35 1wuq n LEU 58 N -2.49 1.49 -0.26 3.11 4.77 -0.47 -4.63 117.00 118.52 1wuq n LEU 58 Ca 0.02 -0.76 0.04 0.00 -0.03 0.00 0.00 56.01 55.29 1wuq n LEU 58 Cb 0.27 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.54 1wuq n LEU 58 CO 0.23 0.29 1.06 -0.07 -1.33 0.00 0.00 177.39 177.57 1wuq h LEU 59 N 1.57 0.42 -1.79 2.23 3.38 -1.41 -2.01 115.31 117.70 1wuq h LEU 59 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1wuq h LEU 59 Cb 0.49 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1wuq h LEU 59 CO 0.00 0.20 0.00 0.29 0.09 0.00 0.00 178.44 179.02 1wuq n LYS 60 N -4.91 2.20 -0.08 1.13 5.02 -1.26 -4.52 118.16 115.74 1wuq n LYS 60 Ca 0.14 -1.78 -0.09 0.00 -2.02 0.00 0.00 58.31 54.56 1wuq n LYS 60 Cb 0.37 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.88 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 3.87 1.09 -0.86 -0.18 2.02 -1.62 -0.65 112.91 116.58 1wuq h THR 61 Ca 0.00 -0.20 0.10 0.00 0.77 0.00 0.00 66.41 67.09 1wuq h THR 61 Cb 0.84 0.72 -0.08 0.00 -1.74 0.00 0.00 68.15 67.89 1wuq h THR 61 CO 0.00 0.09 0.50 -0.65 0.37 0.00 0.00 175.52 175.83 1wuq h PRO 62 N 0.36 0.79 -0.15 6.66 0.11 -1.79 0.33 132.00 138.31 1wuq h PRO 62 Ca 0.10 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 1wuq h PRO 62 Cb -0.01 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 30.92 1wuq h PRO 62 CO -0.02 0.52 0.03 1.49 -0.21 0.00 0.00 178.00 179.81 1wuq h GLU 63 N 0.81 0.24 -0.74 1.05 4.81 -1.79 -0.82 114.58 118.13 1wuq h GLU 63 Ca 0.42 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.57 1wuq h GLU 63 Cb 0.41 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1wuq h GLU 63 CO -0.26 0.41 0.37 0.00 -0.73 0.00 0.00 179.01 178.79 1wuq h ARG 64 N 0.03 1.07 -0.40 1.92 3.08 -0.32 -2.39 114.38 117.37 1wuq h ARG 64 Ca 0.05 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 1wuq h ARG 64 Cb 0.28 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1wuq h ARG 64 CO 0.00 0.83 0.07 0.28 -1.07 0.00 0.00 179.97 180.08 1wuq h VAL 65 N 1.04 1.24 -0.08 2.04 2.07 -0.27 -1.00 116.25 121.29 1wuq h VAL 65 Ca 0.26 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.95 1wuq h VAL 65 Cb 0.10 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1wuq h VAL 65 CO -0.03 0.29 0.00 0.00 0.02 0.00 0.00 177.57 177.85 1wuq h ALA 66 N 0.93 0.06 -0.74 1.67 0.00 -0.99 -1.21 119.26 118.99 1wuq h ALA 66 Ca 0.12 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1wuq h ALA 66 Cb 0.35 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1wuq h ALA 66 CO 0.01 -0.47 0.41 0.87 0.00 0.00 0.00 179.25 180.07 1wuq h LYS 67 N 0.03 1.03 -0.36 0.00 1.57 -1.36 -1.97 116.57 115.51 1wuq h LYS 67 Ca 0.03 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1wuq h LYS 67 Cb 0.04 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1wuq h LYS 67 CO -0.06 0.76 0.21 0.00 -0.57 0.00 0.00 179.45 179.79 1wuq h ALA 68 N 1.21 0.45 0.00 3.86 0.00 -0.83 -1.89 119.26 122.06 1wuq h ALA 68 Ca 0.26 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1wuq h ALA 68 Cb 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1wuq h ALA 68 CO -0.04 -0.14 -0.34 -1.49 0.00 0.00 0.00 179.25 177.24 1wuq h TRP 69 N 0.43 0.00 -0.39 0.00 4.06 -1.01 0.74 115.95 119.77 1wuq h TRP 69 Ca 0.14 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 61.01 1wuq h TRP 69 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 1wuq h TRP 69 CO -0.07 0.34 -0.09 0.00 -3.56 0.00 0.00 178.44 175.06 1wuq h ALA 70 N 1.66 0.54 -0.30 1.49 0.00 -0.92 -2.30 119.26 119.44 1wuq h ALA 70 Ca -0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1wuq h ALA 70 Cb 0.75 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1wuq h ALA 70 CO 0.04 0.40 -0.06 0.35 0.00 0.00 0.00 179.25 179.99 1wuq h PHE 71 N 0.56 0.64 0.00 0.00 3.57 -0.81 -2.22 116.94 118.68 1wuq h PHE 71 Ca 0.10 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1wuq h PHE 71 Cb 0.60 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1wuq h PHE 71 CO 0.05 0.75 0.00 1.28 -2.23 0.00 0.00 178.31 178.16 1wuq n LEU 72 N -4.50 0.63 -0.12 0.59 4.77 0.20 -2.17 117.00 116.39 1wuq n LEU 72 Ca -0.03 0.69 0.04 0.00 -0.03 0.00 0.00 56.01 56.67 1wuq n LEU 72 Cb 0.31 -0.64 0.06 0.00 -2.33 0.00 0.00 43.42 40.83 1wuq n LEU 72 CO 0.40 -0.65 0.54 0.35 -1.33 0.00 0.00 177.39 176.70 1wuq n THR 73 N -2.23 1.30 0.31 -5.08 -2.24 -0.87 -2.53 114.28 102.93 1wuq n THR 73 Ca 0.01 -1.38 0.19 0.00 -2.27 0.00 0.00 64.05 60.61 1wuq n THR 73 Cb 0.18 0.27 0.99 0.00 -2.10 0.00 0.00 70.33 69.67 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 0.29 0.00 0.00 -0.78 0.11 -0.89 -2.66 114.38 110.45 1wuq h ARG 74 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 1wuq h ARG 74 Cb 0.70 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.78 1wuq h ARG 74 CO 0.01 0.02 -0.09 0.78 0.10 0.00 0.00 179.97 180.80 1wuq h GLY 75 N 0.59 0.00 1.25 0.08 0.00 -1.41 -2.02 103.07 101.56 1wuq h GLY 75 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1wuq h GLY 75 CO 0.00 0.00 0.18 -0.97 0.00 0.00 0.00 176.54 175.75 1wuq h TYR 76 N 0.00 0.96 -0.20 5.60 0.05 -1.60 -2.97 116.97 118.82 1wuq h TYR 76 Ca -0.00 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.69 1wuq h TYR 76 Cb 0.16 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 37.62 1wuq h TYR 76 CO 0.00 0.78 0.00 0.54 -1.05 0.00 0.00 178.16 178.43 1wuq n ARG 77 N -4.27 1.58 -3.95 4.88 1.74 -0.77 -4.90 116.66 110.97 1wuq n ARG 77 Ca 0.05 -0.89 -0.21 0.00 -0.77 0.00 0.00 57.85 56.02 1wuq n ARG 77 Cb 0.22 -1.29 -0.02 0.00 -1.02 0.00 0.00 32.46 30.35 1wuq n ARG 77 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1wuq s GLN 78 N -1.74 3.44 -0.04 5.56 -0.21 -1.12 -5.12 119.66 120.42 1wuq s GLN 78 Ca 0.25 -0.74 0.03 0.00 0.02 0.00 0.00 55.36 54.91 1wuq s GLN 78 Cb 0.13 -2.89 0.00 0.00 1.00 0.00 0.00 33.01 31.25 1wuq s GLN 78 CO 0.19 0.43 -0.13 -0.98 -2.12 0.00 0.00 175.29 172.67 1wuq s ARG 79 N -3.96 1.52 0.30 2.91 1.70 -1.26 -5.05 118.95 115.11 1wuq s ARG 79 Ca 0.34 -0.46 0.03 0.00 -0.47 0.00 0.00 55.73 55.17 1wuq s ARG 79 Cb -0.09 -1.32 0.75 0.00 -0.57 0.00 0.00 34.95 33.72 1wuq s ARG 79 CO 0.29 0.14 1.62 1.25 -1.08 0.00 0.00 175.30 177.52 1wuq h LEU 80 N 6.50 -0.15 -1.03 -1.89 5.85 -1.99 -1.35 115.31 121.26 1wuq h LEU 80 Ca -0.32 0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 1wuq h LEU 80 Cb 1.18 0.34 -0.03 0.00 0.37 0.00 0.00 40.66 42.52 1wuq h LEU 80 CO 0.48 -0.24 0.14 1.05 -0.34 0.00 0.00 178.44 179.52 1wuq h GLU 81 N 0.12 0.84 0.00 1.25 4.11 -1.99 -1.12 114.58 117.79 1wuq h GLU 81 Ca 0.58 -0.17 -0.20 0.00 0.07 0.00 0.00 59.36 59.64 1wuq h GLU 81 Cb 1.21 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1wuq h GLU 81 CO -0.75 0.75 -0.88 0.93 0.07 0.00 0.00 179.01 179.14 1wuq h GLU 82 N 0.81 0.18 -0.49 1.06 5.08 -1.71 -2.50 114.58 117.01 1wuq h GLU 82 Ca 0.18 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1wuq h GLU 82 Cb 0.29 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1wuq h GLU 82 CO -0.00 0.95 0.06 0.28 -1.00 0.00 0.00 179.01 179.29 1wuq h VAL 83 N 0.10 1.25 0.00 3.13 2.07 -0.99 -2.87 116.25 118.94 1wuq h VAL 83 Ca -0.04 -0.97 -0.12 0.00 0.82 0.00 0.00 66.70 66.39 1wuq h VAL 83 Cb 1.51 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 1wuq h VAL 83 CO 0.13 0.34 -0.55 0.58 0.02 0.00 0.00 177.57 178.10 1wuq h VAL 84 N 0.70 1.35 -3.07 2.57 2.07 -1.24 -3.47 116.25 115.16 1wuq h VAL 84 Ca 0.15 -1.92 -0.28 0.00 0.82 0.00 0.00 66.70 65.47 1wuq h VAL 84 Cb 0.43 2.05 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 1wuq h VAL 84 CO 0.01 0.54 -0.34 0.61 0.02 0.00 0.00 177.57 178.42 1wuq n GLY 85 N 0.13 -0.03 2.49 2.17 0.00 -0.94 -1.36 105.19 107.65 1wuq n GLY 85 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.70 0.51 2.50 -0.02 0.00 -1.26 -4.89 105.19 101.33 1wuq n GLY 86 Ca -0.16 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 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 1.06 6.41 -3.93 4.61 0.00 -0.47 -4.81 120.51 123.38 1wuq n ALA 87 Ca -0.03 -3.35 -0.32 0.00 0.00 0.00 0.00 53.44 49.73 1wuq n ALA 87 Cb 0.30 -3.37 -0.16 0.00 0.00 0.00 0.00 19.45 16.22 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 2.77 1.99 0.28 0.00 1.01 -1.26 -1.22 120.40 123.97 1wuq s VAL 88 Ca 0.59 -0.91 0.11 0.00 0.00 0.00 0.00 61.98 61.78 1wuq s VAL 88 Cb 0.16 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 1wuq s VAL 88 CO -0.05 0.53 -0.16 -0.36 0.00 0.00 0.00 175.10 175.06 1wuq s PHE 89 N 1.13 2.36 0.40 5.22 0.08 0.17 -4.95 117.98 122.39 1wuq s PHE 89 Ca 0.00 -0.33 -0.26 0.00 0.12 0.00 0.00 56.93 56.47 1wuq s PHE 89 Cb -0.14 -1.05 -0.09 0.00 -0.57 0.00 0.00 43.02 41.17 1wuq s PHE 89 CO -0.08 0.69 1.29 -1.25 -0.10 0.00 0.00 175.22 175.76 1wuq s PRO 90 N -3.54 3.98 0.26 0.24 0.04 -1.26 0.06 135.00 134.78 1wuq s PRO 90 Ca 0.30 2.12 -0.30 0.00 0.04 0.00 0.00 61.00 63.16 1wuq s PRO 90 Cb -0.05 -2.75 -0.11 0.00 0.04 0.00 0.00 34.50 31.63 1wuq s PRO 90 CO 0.16 -0.47 1.59 0.00 0.04 0.00 0.00 177.00 178.32 1wuq s ALA 91 N -1.28 3.76 -0.45 8.56 0.00 -0.57 -4.54 121.76 127.24 1wuq s ALA 91 Ca 0.57 1.52 0.23 0.00 0.00 0.00 0.00 51.96 54.28 1wuq s ALA 91 Cb -0.37 -3.64 0.23 0.00 0.00 0.00 0.00 23.12 19.34 1wuq s ALA 91 CO 0.48 -0.92 1.28 0.93 0.00 0.00 0.00 175.76 177.53 1wuq h GLU 92 N 5.36 0.00 0.00 0.00 4.39 -1.92 -3.48 114.58 118.92 1wuq h GLU 92 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1wuq h GLU 92 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1wuq h GLU 92 CO 0.83 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 179.09 1wuq n GLY 93 N 1.24 1.81 0.17 -3.84 0.00 -1.26 -5.07 105.19 98.24 1wuq n GLY 93 Ca 0.02 -0.89 0.02 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.53 1.22 -4.87 1.61 3.41 -1.26 -4.85 113.62 108.36 1wuq n SER 94 Ca 0.00 -1.11 -0.31 0.00 -0.26 0.00 0.00 58.87 57.19 1wuq n SER 94 Cb 0.00 0.16 0.03 0.00 -0.26 0.00 0.00 64.21 64.14 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 -0.57 3.18 0.53 4.33 0.41 -1.26 -4.70 118.70 120.62 1wuq s GLU 95 Ca 0.05 0.65 -0.20 0.00 -0.41 0.00 0.00 54.97 55.06 1wuq s GLU 95 Cb 0.04 -2.04 -0.07 0.00 -1.78 0.00 0.00 34.13 30.28 1wuq s GLU 95 CO 0.08 -0.84 1.10 0.00 -0.49 0.00 0.00 175.26 175.11 1wuq s MET 96 N -5.24 3.48 -0.12 1.61 0.23 -1.26 -4.56 119.30 113.44 1wuq s MET 96 Ca 0.57 1.54 -0.00 0.00 -1.03 0.00 0.00 55.69 56.76 1wuq s MET 96 Cb -0.11 -2.03 -0.02 0.00 -1.53 0.00 0.00 34.83 31.14 1wuq s MET 96 CO 0.53 -0.73 -0.11 0.08 -2.03 0.00 0.00 175.02 172.76 1wuq s VAL 97 N -1.84 3.30 -0.16 5.16 1.01 -0.17 -4.96 120.40 122.75 1wuq s VAL 97 Ca 0.71 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1wuq s VAL 97 Cb -0.22 -2.39 0.02 0.00 0.00 0.00 0.00 36.38 33.80 1wuq s VAL 97 CO 0.25 0.53 -0.15 -0.69 0.00 0.00 0.00 175.10 175.04 1wuq s VAL 98 N 0.09 1.68 -0.39 2.92 1.01 -1.26 -1.60 120.40 122.85 1wuq s VAL 98 Ca -0.04 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 1wuq s VAL 98 Cb -0.14 -1.56 0.09 0.00 0.00 0.00 0.00 36.38 34.76 1wuq s VAL 98 CO 0.04 0.47 0.18 -0.69 0.00 0.00 0.00 175.10 175.10 1wuq s VAL 99 N 1.44 3.49 0.40 2.92 1.01 0.14 -4.98 120.40 124.82 1wuq s VAL 99 Ca 0.05 -1.76 0.08 0.00 0.00 0.00 0.00 61.98 60.34 1wuq s VAL 99 Cb -0.13 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 1wuq s VAL 99 CO -0.11 -0.54 0.29 -1.59 0.00 0.00 0.00 175.10 173.15 1wuq s LYS 100 N 1.24 2.45 -1.23 2.72 -2.85 -1.26 -0.37 119.74 120.45 1wuq s LYS 100 Ca 0.04 -1.59 0.00 0.00 -1.00 0.00 0.00 55.97 53.42 1wuq s LYS 100 Cb -0.22 -2.26 0.00 0.00 -2.06 0.00 0.00 37.83 33.28 1wuq s LYS 100 CO -0.02 -0.11 0.00 0.41 0.10 0.00 0.00 175.35 175.73 1wuq n GLY 101 N -1.40 0.54 3.57 0.59 0.00 -1.21 -4.95 105.19 102.33 1wuq n GLY 101 Ca 0.01 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.57 3.71 0.45 1.61 1.01 -0.59 -4.81 120.40 119.21 1wuq s VAL 102 Ca 0.00 0.55 -0.24 0.00 0.00 0.00 0.00 61.98 62.29 1wuq s VAL 102 Cb 0.00 -4.44 -0.07 0.00 0.00 0.00 0.00 36.38 31.86 1wuq s VAL 102 CO 0.00 -1.25 1.28 -1.83 0.00 0.00 0.00 175.10 173.30 1wuq s GLU 103 N 5.77 3.71 0.05 2.72 1.03 -1.26 -0.10 118.70 130.62 1wuq s GLU 103 Ca 0.52 2.08 -0.02 0.00 0.03 0.00 0.00 54.97 57.58 1wuq s GLU 103 Cb -0.11 -2.54 -0.03 0.00 -0.80 0.00 0.00 34.13 30.65 1wuq s GLU 103 CO 0.23 -0.68 -0.01 -0.59 -1.33 0.00 0.00 175.26 172.87 1wuq s PHE 104 N -1.34 0.46 -0.01 4.83 -0.71 -0.29 -4.87 117.98 116.04 1wuq s PHE 104 Ca 0.62 -0.96 0.00 0.00 -1.04 0.00 0.00 56.93 55.55 1wuq s PHE 104 Cb -0.36 -0.34 0.01 0.00 -1.21 0.00 0.00 43.02 41.12 1wuq s PHE 104 CO 0.45 -0.37 0.00 0.71 -1.34 0.00 0.00 175.22 174.67 1wuq s TYR 105 N -3.62 0.11 0.25 3.49 2.02 -1.26 -1.92 117.35 116.42 1wuq s TYR 105 Ca 0.04 0.03 0.02 0.00 -0.37 0.00 0.00 57.07 56.80 1wuq s TYR 105 Cb 0.06 -0.17 -0.01 0.00 -0.40 0.00 0.00 41.96 41.44 1wuq s TYR 105 CO -0.09 -0.05 0.28 0.45 -1.57 0.00 0.00 175.55 174.57 1wuq n SER 106 N 3.58 -0.76 -4.03 2.29 2.88 0.33 -4.32 113.62 113.59 1wuq n SER 106 Ca -0.19 -2.53 -0.26 0.00 -1.33 0.00 0.00 58.87 54.56 1wuq n SER 106 Cb 0.55 1.55 -0.17 0.00 -0.75 0.00 0.00 64.21 65.40 1wuq n SER 106 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1wuq s MET 107 N -2.81 1.80 0.23 -1.46 -1.94 -1.23 -1.48 119.30 112.41 1wuq s MET 107 Ca 0.26 -0.44 -0.30 0.00 -1.71 0.00 0.00 55.69 53.50 1wuq s MET 107 Cb 0.00 -1.51 -0.09 0.00 2.01 0.00 0.00 34.83 35.24 1wuq s MET 107 CO 0.18 0.00 1.24 0.00 -0.01 0.00 0.00 175.02 176.43 1wuq n GLU 109 N 2.03 0.21 0.11 0.00 0.28 -0.14 -0.84 120.64 122.30 1wuq n GLU 109 Ca 0.03 0.42 -0.20 0.00 -0.16 0.00 0.00 57.16 57.25 1wuq n GLU 109 Cb 0.44 -1.89 -0.15 0.00 1.43 0.00 0.00 31.44 31.27 1wuq n GLU 109 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1wuq h HIS 110 N 0.00 0.69 0.00 -1.84 3.86 -1.90 -3.40 115.15 112.55 1wuq h HIS 110 Ca 0.00 -0.50 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1wuq h HIS 110 Cb 0.39 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1wuq h HIS 110 CO 0.00 1.45 0.00 0.72 0.86 0.00 0.00 177.93 180.96 1wuq n HIS 111 N -3.59 0.00 -2.98 2.45 8.25 -1.22 -5.02 115.22 113.12 1wuq n HIS 111 Ca -0.15 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.12 1wuq n HIS 111 Cb 1.06 0.00 0.04 0.00 1.12 0.00 0.00 29.99 32.21 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 -0.71 -2.62 -4.43 2.41 4.77 -0.02 -5.01 117.00 111.39 1wuq n LEU 112 Ca 0.00 -0.27 -0.30 0.00 -0.03 0.00 0.00 56.01 55.41 1wuq n LEU 112 Cb 0.01 -2.66 -0.13 0.00 -2.33 0.00 0.00 43.42 38.31 1wuq n LEU 112 CO 0.00 0.25 -0.52 -0.76 -1.33 0.00 0.00 177.39 175.03 1wuq s LEU 113 N -5.91 2.49 0.41 2.23 1.43 -1.26 -4.87 118.68 113.20 1wuq s LEU 113 Ca 0.29 -0.55 -0.26 0.00 -1.03 0.00 0.00 54.13 52.58 1wuq s LEU 113 Cb -0.13 -1.43 -0.09 0.00 0.03 0.00 0.00 46.19 44.57 1wuq s LEU 113 CO 0.36 0.22 1.35 -2.84 0.23 0.00 0.00 176.35 175.68 1wuq s PRO 114 N -1.68 3.96 -0.01 1.29 0.02 -1.26 -1.51 135.00 135.80 1wuq s PRO 114 Ca 0.15 2.27 0.03 0.00 0.02 0.00 0.00 61.00 63.46 1wuq s PRO 114 Cb -0.10 -2.79 -0.00 0.00 0.02 0.00 0.00 34.50 31.63 1wuq s PRO 114 CO 0.06 -0.54 -0.10 -0.59 -0.33 0.00 0.00 177.00 175.50 1wuq s PHE 115 N -1.22 0.93 0.23 6.54 -0.71 -0.55 -2.11 117.98 121.09 1wuq s PHE 115 Ca 0.57 -0.20 -0.15 0.00 -1.04 0.00 0.00 56.93 56.11 1wuq s PHE 115 Cb -0.40 -0.62 0.01 0.00 -1.21 0.00 0.00 43.02 40.79 1wuq s PHE 115 CO 0.52 -0.04 0.51 -0.59 -1.34 0.00 0.00 175.22 174.28 1wuq s PHE 116 N -0.10 0.13 0.00 3.49 -0.71 -0.62 -0.52 117.98 119.66 1wuq s PHE 116 Ca 0.02 -0.50 0.00 0.00 -1.04 0.00 0.00 56.93 55.40 1wuq s PHE 116 Cb -0.05 0.30 0.00 0.00 -1.21 0.00 0.00 43.02 42.06 1wuq s PHE 116 CO -0.00 -0.97 0.00 0.41 -1.34 0.00 0.00 175.22 173.31 1wuq n GLY 117 N -0.36 -0.53 3.02 1.99 0.00 -0.81 -0.34 105.19 108.16 1wuq n GLY 117 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 0.41 -0.07 1.61 1.02 -0.37 -1.14 119.74 121.20 1wuq s LYS 118 Ca 0.00 -0.74 0.04 0.00 0.02 0.00 0.00 55.97 55.29 1wuq s LYS 118 Cb 0.00 0.01 -0.02 0.00 -0.52 0.00 0.00 37.83 37.31 1wuq s LYS 118 CO 0.00 -0.03 -0.19 0.08 -0.92 0.00 0.00 175.35 174.28 1wuq s VAL 119 N -1.78 2.55 -0.10 3.17 1.01 0.86 -1.44 120.40 124.67 1wuq s VAL 119 Ca -0.11 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.02 1wuq s VAL 119 Cb -0.08 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 1wuq s VAL 119 CO -0.02 0.56 -0.21 -1.00 0.00 0.00 0.00 175.10 174.44 1wuq s HIS 120 N -0.18 2.61 -0.03 5.22 0.09 0.38 -1.54 115.29 121.84 1wuq s HIS 120 Ca -0.02 -0.88 0.05 0.00 -0.00 0.00 0.00 55.06 54.21 1wuq s HIS 120 Cb -0.14 -1.73 -0.01 0.00 -0.00 0.00 0.00 32.58 30.71 1wuq s HIS 120 CO 0.03 -0.33 -0.20 0.42 -0.00 0.00 0.00 174.74 174.67 1wuq s ILE 121 N 0.26 1.62 0.01 0.60 1.01 0.51 -1.01 121.20 124.20 1wuq s ILE 121 Ca -0.14 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.67 1wuq s ILE 121 Cb -0.17 -1.37 -0.01 0.00 0.01 0.00 0.00 42.46 40.92 1wuq s ILE 121 CO 0.07 0.46 -0.05 -0.83 0.00 0.00 0.00 174.94 174.59 1wuq s GLY 122 N -0.21 0.28 -0.02 6.18 0.00 0.08 0.27 107.32 113.90 1wuq s GLY 122 Ca 0.01 -0.38 -0.30 0.00 0.00 0.00 0.00 44.72 44.06 1wuq s GLY 122 CO 0.01 -0.38 0.66 -2.52 0.00 0.00 0.00 173.10 170.87 1wuq s TYR 123 N -0.59 -0.64 -0.27 1.90 -0.85 -0.63 0.21 117.35 116.48 1wuq s TYR 123 Ca -0.04 0.99 -0.06 0.00 -0.52 0.00 0.00 57.07 57.44 1wuq s TYR 123 Cb -0.05 0.43 0.00 0.00 0.38 0.00 0.00 41.96 42.73 1wuq s TYR 123 CO -0.00 -0.65 0.05 0.42 -1.52 0.00 0.00 175.55 173.85 1wuq s ILE 124 N -1.61 3.86 0.78 -3.49 -1.09 -0.92 -1.00 121.20 117.73 1wuq s ILE 124 Ca -0.09 -0.61 -0.11 0.00 -2.23 0.00 0.00 60.65 57.61 1wuq s ILE 124 Cb -0.00 -2.93 0.06 0.00 -1.58 0.00 0.00 42.46 38.01 1wuq s ILE 124 CO 0.06 0.17 1.11 -2.16 -1.23 0.00 0.00 174.94 172.89 1wuq s PRO 125 N 1.50 2.10 -0.51 2.79 0.04 -1.26 -0.90 135.00 138.75 1wuq s PRO 125 Ca 0.03 1.29 0.07 0.00 0.04 0.00 0.00 61.00 62.44 1wuq s PRO 125 Cb -0.16 -1.87 0.27 0.00 0.04 0.00 0.00 34.50 32.78 1wuq s PRO 125 CO 0.01 -1.78 0.69 -3.47 0.04 0.00 0.00 177.00 172.50 1wuq n ASP 126 N -3.47 2.27 0.00 6.66 2.03 -1.26 -4.28 116.55 118.49 1wuq n ASP 126 Ca 0.10 -3.16 0.00 0.00 0.52 0.00 0.00 54.79 52.24 1wuq n ASP 126 Cb 0.53 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 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 0.83 2.30 2.89 0.27 0.00 -1.26 -4.89 105.19 105.34 1wuq n GLY 127 Ca 0.26 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.28 0.38 0.21 1.61 1.02 -1.26 -1.51 119.74 119.91 1wuq s LYS 128 Ca 0.00 -0.07 0.11 0.00 0.02 0.00 0.00 55.97 56.03 1wuq s LYS 128 Cb 0.00 -0.43 -0.04 0.00 -0.52 0.00 0.00 37.83 36.84 1wuq s LYS 128 CO 0.00 -0.00 -0.18 0.96 -0.92 0.00 0.00 175.35 175.21 1wuq s ILE 129 N 0.38 2.67 0.02 2.17 -4.36 0.11 -4.64 121.20 117.55 1wuq s ILE 129 Ca -0.04 -1.97 0.02 0.00 -0.26 0.00 0.00 60.65 58.40 1wuq s ILE 129 Cb -0.07 -2.32 -0.04 0.00 1.25 0.00 0.00 42.46 41.28 1wuq s ILE 129 CO -0.01 -0.17 0.03 -0.22 0.24 0.00 0.00 174.94 174.81 1wuq s LEU 130 N -2.88 3.62 0.17 0.37 2.96 -1.26 -0.65 118.68 121.00 1wuq s LEU 130 Ca 0.24 -0.00 -0.32 0.00 -0.22 0.00 0.00 54.13 53.82 1wuq s LEU 130 Cb -0.08 -2.15 -0.12 0.00 0.50 0.00 0.00 46.19 44.34 1wuq s LEU 130 CO 0.13 0.25 1.74 0.61 -1.32 0.00 0.00 176.35 177.75 1wuq n GLY 131 N 1.11 1.50 0.28 7.98 0.00 -0.35 -4.87 105.19 110.85 1wuq n GLY 131 Ca -0.13 0.66 0.07 0.00 0.00 0.00 0.00 46.02 46.62 1wuq n GLY 131 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wuq h LEU 132 N 7.21 -0.17 -2.10 0.99 3.38 -1.97 -0.88 115.31 121.78 1wuq h LEU 132 Ca -0.45 0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1wuq h LEU 132 Cb 1.22 0.29 -0.00 0.00 0.09 0.00 0.00 40.66 42.25 1wuq h LEU 132 CO 0.94 -0.14 -0.08 0.77 0.09 0.00 0.00 178.44 180.03 1wuq h SER 133 N 0.17 0.00 0.55 -0.43 4.64 -2.00 -2.31 113.55 114.17 1wuq h SER 133 Ca 0.45 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.73 1wuq h SER 133 Cb 0.81 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 1wuq h SER 133 CO -0.62 0.08 -0.18 0.11 -0.87 0.00 0.00 176.83 175.35 1wuq h LYS 134 N 0.00 0.00 -0.69 4.77 1.79 -1.50 -1.51 116.57 119.43 1wuq h LYS 134 Ca -0.00 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.40 1wuq h LYS 134 Cb 0.25 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.87 1wuq h LYS 134 CO 0.01 0.18 0.14 0.74 -1.08 0.00 0.00 179.45 179.44 1wuq h PHE 135 N 0.00 1.18 -0.40 -1.35 0.04 -1.50 -0.82 116.94 114.08 1wuq h PHE 135 Ca -0.00 -0.15 -0.09 0.00 2.80 0.00 0.00 57.97 60.52 1wuq h PHE 135 Cb 0.50 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1wuq h PHE 135 CO 0.00 0.97 -0.11 0.00 -0.60 0.00 0.00 178.31 178.57 1wuq h ALA 136 N 1.07 0.56 -0.45 2.45 0.00 -1.43 -1.34 119.26 120.12 1wuq h ALA 136 Ca 0.21 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1wuq h ALA 136 Cb 0.40 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1wuq h ALA 136 CO 0.01 0.44 0.09 0.00 0.00 0.00 0.00 179.25 179.79 1wuq h ARG 137 N 0.60 0.67 -0.26 0.00 3.08 -1.09 -1.41 114.38 115.98 1wuq h ARG 137 Ca 0.10 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 59.92 1wuq h ARG 137 Cb 0.65 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 1wuq h ARG 137 CO 0.04 0.63 -0.23 0.82 -1.07 0.00 0.00 179.97 180.17 1wuq h ILE 138 N 0.65 1.31 -0.41 2.04 2.04 -0.99 -2.01 117.51 120.14 1wuq h ILE 138 Ca 0.15 -1.38 0.06 0.00 1.00 0.00 0.00 64.86 64.68 1wuq h ILE 138 Cb 0.28 1.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.92 1wuq h ILE 138 CO 0.00 0.43 0.12 0.58 0.00 0.00 0.00 178.15 179.28 1wuq h VAL 139 N 0.34 0.83 -0.50 1.67 2.07 -0.87 -2.46 116.25 117.34 1wuq h VAL 139 Ca 0.05 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 1wuq h VAL 139 Cb 0.78 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1wuq h VAL 139 CO 0.06 0.05 0.07 0.44 0.02 0.00 0.00 177.57 178.21 1wuq h ASP 140 N 0.26 0.74 -0.69 0.57 3.32 -1.23 0.05 116.42 119.45 1wuq h ASP 140 Ca 0.20 -0.15 0.04 0.00 0.02 0.00 0.00 57.03 57.14 1wuq h ASP 140 Cb 0.21 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.52 1wuq h ASP 140 CO -0.22 0.76 0.42 -0.03 -1.72 0.00 0.00 179.24 178.45 1wuq h MET 141 N 0.75 0.78 0.00 3.56 4.05 -0.90 -0.41 114.93 122.76 1wuq h MET 141 Ca 0.16 -0.05 -0.12 0.00 -0.28 0.00 0.00 59.70 59.41 1wuq h MET 141 Cb 0.35 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.96 1wuq h MET 141 CO 0.01 0.51 -1.17 0.74 0.23 0.00 0.00 176.91 177.23 1wuq h PHE 142 N 0.80 0.00 -0.06 1.39 0.04 -1.28 -3.37 116.94 114.46 1wuq h PHE 142 Ca 0.29 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.84 1wuq h PHE 142 Cb 0.09 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.24 1wuq h PHE 142 CO -0.05 0.45 -0.87 0.00 -0.60 0.00 0.00 178.31 177.24 1wuq h ALA 143 N 1.55 0.36 -0.03 2.45 0.00 -0.79 -3.35 119.26 119.45 1wuq h ALA 143 Ca -0.11 -0.65 -0.69 0.00 0.00 0.00 0.00 54.91 53.46 1wuq h ALA 143 Cb 1.44 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1wuq h ALA 143 CO 0.04 0.74 3.47 0.54 0.00 0.00 0.00 179.25 184.04 1wuq n ARG 144 N -3.84 3.32 -3.82 0.00 1.74 -0.18 -4.26 116.66 109.62 1wuq n ARG 144 Ca -0.07 -2.44 -0.08 0.00 -0.77 0.00 0.00 57.85 54.49 1wuq n ARG 144 Cb 0.79 -3.03 0.02 0.00 -1.02 0.00 0.00 32.46 29.22 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 2.56 2.14 -0.07 5.56 0.52 -1.05 -1.40 118.95 127.20 1wuq s ARG 145 Ca 0.58 -1.36 -0.25 0.00 -0.52 0.00 0.00 55.73 54.19 1wuq s ARG 145 Cb 0.16 0.61 -0.03 0.00 0.52 0.00 0.00 34.95 36.21 1wuq s ARG 145 CO -0.07 -1.00 0.76 -0.51 0.02 0.00 0.00 175.30 174.49 1wuq s LEU 146 N -3.07 4.30 0.30 2.53 1.43 -1.26 -3.52 118.68 119.38 1wuq s LEU 146 Ca 0.15 1.25 0.05 0.00 -1.03 0.00 0.00 54.13 54.55 1wuq s LEU 146 Cb -0.05 -3.17 -0.03 0.00 0.03 0.00 0.00 46.19 42.97 1wuq s LEU 146 CO 0.11 -0.18 0.25 -1.10 0.23 0.00 0.00 176.35 175.65 1wuq s GLN 147 N 1.06 1.62 -0.05 1.70 -1.52 0.68 -4.74 119.66 118.40 1wuq s GLN 147 Ca 0.39 -1.92 0.01 0.00 -1.95 0.00 0.00 55.36 51.90 1wuq s GLN 147 Cb -0.18 0.31 0.02 0.00 -0.22 0.00 0.00 33.01 32.94 1wuq s GLN 147 CO 0.19 -0.59 -0.07 0.14 -0.25 0.00 0.00 175.29 174.71 1wuq s VAL 148 N -3.61 0.71 0.40 1.09 -7.23 -1.26 -0.96 120.40 109.53 1wuq s VAL 148 Ca 0.40 -0.23 0.15 0.00 -1.81 0.00 0.00 61.98 60.50 1wuq s VAL 148 Cb 0.03 -0.70 0.37 0.00 0.56 0.00 0.00 36.38 36.64 1wuq s VAL 148 CO 0.24 0.26 1.84 -0.61 -0.31 0.00 0.00 175.10 176.52 1wuq h GLN 149 N 7.10 0.47 -0.91 4.82 4.15 -2.00 -1.00 115.11 127.74 1wuq h GLN 149 Ca -0.36 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.04 1wuq h GLN 149 Cb 1.16 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.70 1wuq h GLN 149 CO 0.47 0.31 0.60 0.93 -1.93 0.00 0.00 178.83 179.22 1wuq h GLU 150 N 0.48 1.20 -0.21 1.69 3.07 -1.96 -2.76 114.58 116.08 1wuq h GLU 150 Ca 0.49 -0.07 -0.13 0.00 -0.50 0.00 0.00 59.36 59.14 1wuq h GLU 150 Cb 1.12 -0.27 0.00 0.00 -0.84 0.00 0.00 28.75 28.76 1wuq h GLU 150 CO -0.21 0.79 -0.40 -0.09 -1.40 0.00 0.00 179.01 177.70 1wuq h ARG 151 N 1.23 0.63 -0.73 2.33 2.43 -1.63 -3.11 114.38 115.53 1wuq h ARG 151 Ca 0.33 -0.41 0.12 0.00 -0.81 0.00 0.00 59.98 59.22 1wuq h ARG 151 Cb -0.14 0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 29.37 1wuq h ARG 151 CO -0.07 1.02 0.31 1.25 -1.51 0.00 0.00 179.97 180.97 1wuq h LEU 152 N 0.32 0.33 -0.12 3.80 5.85 -1.17 0.16 115.31 124.49 1wuq h LEU 152 Ca 0.01 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1wuq h LEU 152 Cb 1.00 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1wuq h LEU 152 CO 0.09 0.15 0.05 0.00 -0.34 0.00 0.00 178.44 178.40 1wuq h ALA 153 N 1.50 0.15 -0.24 1.25 0.00 -1.51 -2.20 119.26 118.22 1wuq h ALA 153 Ca 0.39 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1wuq h ALA 153 Cb 0.54 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1wuq h ALA 153 CO -0.36 -0.28 0.14 0.28 0.00 0.00 0.00 179.25 179.03 1wuq h VAL 154 N 0.06 1.10 -0.58 0.00 2.07 -1.34 -2.14 116.25 115.42 1wuq h VAL 154 Ca 0.04 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 1wuq h VAL 154 Cb 0.13 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1wuq h VAL 154 CO -0.00 0.09 0.15 1.56 0.02 0.00 0.00 177.57 179.39 1wuq h GLN 155 N 0.29 0.89 -0.27 1.57 4.20 -0.95 -0.09 115.11 120.75 1wuq h GLN 155 Ca 0.08 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 1wuq h GLN 155 Cb 0.03 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1wuq h GLN 155 CO -0.02 0.79 0.03 0.82 -0.67 0.00 0.00 178.83 179.79 1wuq h ILE 156 N 0.86 1.24 -0.70 2.54 2.04 -1.28 -1.31 117.51 120.90 1wuq h ILE 156 Ca 0.19 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1wuq h ILE 156 Cb 0.29 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1wuq h ILE 156 CO -0.00 0.26 0.45 0.00 0.00 0.00 0.00 178.15 178.86 1wuq h ALA 157 N 0.85 0.88 -0.17 1.87 0.00 -1.02 -2.12 119.26 119.56 1wuq h ALA 157 Ca 0.08 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1wuq h ALA 157 Cb 0.36 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1wuq h ALA 157 CO 0.01 0.32 -0.42 0.93 0.00 0.00 0.00 179.25 180.09 1wuq h GLU 158 N 0.94 0.39 -0.62 0.00 5.08 -0.93 -1.07 114.58 118.38 1wuq h GLU 158 Ca 0.25 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 1wuq h GLU 158 Cb -0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1wuq h GLU 158 CO -0.05 0.75 0.08 0.00 -1.00 0.00 0.00 179.01 178.79 1wuq h ALA 159 N 1.23 0.83 -0.28 3.43 0.00 -0.91 -1.61 119.26 121.95 1wuq h ALA 159 Ca 0.03 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1wuq h ALA 159 Cb 0.88 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1wuq h ALA 159 CO 0.07 0.60 -0.12 0.82 0.00 0.00 0.00 179.25 180.62 1wuq h ILE 160 N 0.95 1.29 -0.57 0.00 2.04 -1.18 -2.44 117.51 117.61 1wuq h ILE 160 Ca 0.19 -1.20 0.08 0.00 1.00 0.00 0.00 64.86 64.92 1wuq h ILE 160 Cb 0.46 1.49 -0.06 0.00 -0.74 0.00 0.00 36.82 37.96 1wuq h ILE 160 CO 0.02 0.38 0.22 -0.61 0.00 0.00 0.00 178.15 178.16 1wuq h GLN 161 N 0.32 0.41 -0.48 2.37 5.75 -1.05 -1.55 115.11 120.88 1wuq h GLN 161 Ca 0.06 -0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.48 1wuq h GLN 161 Cb 0.63 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.07 1wuq h GLN 161 CO 0.04 0.27 0.08 1.49 -2.65 0.00 0.00 178.83 178.06 1wuq h GLU 162 N 0.42 0.79 -0.19 1.69 4.81 -1.23 0.41 114.58 121.28 1wuq h GLU 162 Ca 0.28 -0.21 -0.18 0.00 -0.13 0.00 0.00 59.36 59.11 1wuq h GLU 162 Cb 0.30 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 1wuq h GLU 162 CO -0.26 0.80 -0.61 0.28 -0.73 0.00 0.00 179.01 178.49 1wuq h VAL 163 N 0.66 1.31 0.00 0.32 2.07 -1.14 -3.37 116.25 116.10 1wuq h VAL 163 Ca 0.15 -1.85 -0.04 0.00 0.82 0.00 0.00 66.70 65.77 1wuq h VAL 163 Cb 0.39 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1wuq h VAL 163 CO 0.01 0.58 -1.55 0.18 0.02 0.00 0.00 177.57 176.81 1wuq n LEU 164 N -3.95 0.00 -3.86 2.57 4.77 -0.61 -5.01 117.00 110.91 1wuq n LEU 164 Ca -0.04 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.68 1wuq n LEU 164 Cb 0.65 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 1wuq n LEU 164 CO 0.49 0.06 -0.17 -0.62 -1.33 0.00 0.00 177.39 175.82 1wuq n GLU 165 N -2.00 -3.34 -1.42 3.23 1.02 0.14 -4.72 120.64 113.55 1wuq n GLU 165 Ca -0.05 0.46 -0.29 0.00 -0.02 0.00 0.00 57.16 57.25 1wuq n GLU 165 Cb 0.42 -4.61 0.17 0.00 -0.02 0.00 0.00 31.44 27.40 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 -6.34 0.39 0.48 3.49 0.04 -1.26 -4.55 135.00 127.24 1wuq s PRO 166 Ca 0.07 0.15 0.22 0.00 0.04 0.00 0.00 61.00 61.48 1wuq s PRO 166 Cb -0.03 -1.76 1.21 0.00 0.04 0.00 0.00 34.50 33.96 1wuq s PRO 166 CO 0.87 -2.68 2.00 1.96 0.04 0.00 0.00 177.00 179.19 1wuq h GLN 167 N -1.84 0.00 -1.17 4.56 4.20 -1.20 -3.46 115.11 116.20 1wuq h GLN 167 Ca -0.49 0.00 0.31 0.00 0.06 0.00 0.00 58.65 58.53 1wuq h GLN 167 Cb 1.31 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 28.89 1wuq h GLN 167 CO 0.52 0.18 0.93 0.20 -0.67 0.00 0.00 178.83 179.99 1wuq s GLY 168 N -4.22 -0.23 -0.08 3.46 0.00 -1.22 -0.85 107.32 104.18 1wuq s GLY 168 Ca -0.03 1.82 -0.09 0.00 0.00 0.00 0.00 44.72 46.42 1wuq s GLY 168 CO 0.63 0.60 0.25 0.54 0.00 0.00 0.00 173.10 175.13 1wuq s VAL 169 N -2.14 0.01 -0.02 1.40 0.11 -0.84 -2.16 120.40 116.75 1wuq s VAL 169 Ca 0.11 -0.08 0.04 0.00 -2.93 0.00 0.00 61.98 59.12 1wuq s VAL 169 Cb -0.01 -0.39 -0.00 0.00 -1.53 0.00 0.00 36.38 34.45 1wuq s VAL 169 CO -0.03 -0.04 -0.13 -0.83 -3.33 0.00 0.00 175.10 170.73 1wuq s GLY 170 N -0.07 0.70 -0.05 6.54 0.00 0.13 -0.49 107.32 114.09 1wuq s GLY 170 Ca -0.02 -0.55 0.01 0.00 0.00 0.00 0.00 44.72 44.17 1wuq s GLY 170 CO 0.01 -0.34 -0.07 0.14 0.00 0.00 0.00 173.10 172.84 1wuq s VAL 171 N -0.08 0.70 -0.11 1.40 1.01 -0.19 -0.74 120.40 122.38 1wuq s VAL 171 Ca 0.01 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1wuq s VAL 171 Cb -0.08 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.62 1wuq s VAL 171 CO 0.00 0.26 -0.19 -0.69 0.00 0.00 0.00 175.10 174.48 1wuq s VAL 172 N 0.84 1.79 -0.13 2.92 1.01 -0.18 -1.41 120.40 125.24 1wuq s VAL 172 Ca -0.12 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.04 1wuq s VAL 172 Cb -0.15 -1.59 -0.00 0.00 0.00 0.00 0.00 36.38 34.64 1wuq s VAL 172 CO 0.01 0.50 -0.17 -0.69 0.00 0.00 0.00 175.10 174.75 1wuq s VAL 173 N 0.76 2.59 -0.12 2.92 1.01 0.46 -0.47 120.40 127.56 1wuq s VAL 173 Ca -0.10 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1wuq s VAL 173 Cb -0.16 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.17 1wuq s VAL 173 CO 0.01 0.53 -0.15 -0.70 0.00 0.00 0.00 175.10 174.79 1wuq s GLU 174 N 0.57 2.27 0.15 2.72 2.12 -0.52 -0.93 118.70 125.08 1wuq s GLU 174 Ca -0.10 -0.58 -0.13 0.00 0.36 0.00 0.00 54.97 54.52 1wuq s GLU 174 Cb -0.16 -1.95 0.02 0.00 0.26 0.00 0.00 34.13 32.29 1wuq s GLU 174 CO 0.04 -0.09 0.36 0.20 -0.54 0.00 0.00 175.26 175.23 1wuq s GLY 175 N 1.06 0.03 0.01 -1.50 0.00 -0.40 -1.23 107.32 105.29 1wuq s GLY 175 Ca -0.05 -0.41 0.01 0.00 0.00 0.00 0.00 44.72 44.27 1wuq s GLY 175 CO -0.03 -0.52 0.05 -1.34 0.00 0.00 0.00 173.10 171.25 1wuq s VAL 176 N -3.87 4.48 -0.24 1.40 -7.23 0.54 -0.86 120.40 114.62 1wuq s VAL 176 Ca 0.09 -0.53 0.01 0.00 -1.81 0.00 0.00 61.98 59.74 1wuq s VAL 176 Cb 0.02 -3.04 0.04 0.00 0.56 0.00 0.00 36.38 33.96 1wuq s VAL 176 CO -0.06 0.34 -0.12 -1.00 -0.31 0.00 0.00 175.10 173.94 1wuq s HIS 177 N -1.17 3.08 0.53 2.82 3.76 -1.26 -1.59 115.29 121.46 1wuq s HIS 177 Ca 0.22 -1.91 0.28 0.00 -0.15 0.00 0.00 55.06 53.50 1wuq s HIS 177 Cb -0.12 -1.97 1.67 0.00 1.11 0.00 0.00 32.58 33.27 1wuq s HIS 177 CO 0.13 -0.82 2.19 -0.07 -0.85 0.00 0.00 174.74 175.33 1wuq h LEU 178 N 7.89 0.00 -0.84 0.89 3.38 -1.75 -0.60 115.31 124.28 1wuq h LEU 178 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1wuq h LEU 178 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1wuq h LEU 178 CO 0.54 0.04 0.00 0.00 0.09 0.00 0.00 178.44 179.12 1wuq n MET 180 N -2.36 0.66 -0.13 0.00 2.81 -0.28 -4.36 117.12 113.47 1wuq n MET 180 Ca 0.02 -0.18 -0.22 0.00 -1.81 0.00 0.00 57.70 55.51 1wuq n MET 180 Cb 0.23 -1.51 -0.12 0.00 -0.71 0.00 0.00 33.22 31.12 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 -2.28 0.64 -0.07 0.03 2.00 -0.69 -1.14 117.12 115.61 1wuq n MET 181 Ca -0.06 0.19 0.12 0.00 0.00 0.00 0.00 57.70 57.95 1wuq n MET 181 Cb 0.60 -1.53 0.29 0.00 0.00 0.00 0.00 33.22 32.59 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 -3.57 2.09 -3.72 0.03 3.85 0.20 -4.52 117.12 111.48 1wuq n MET 182 Ca -0.48 -1.61 -0.07 0.00 -1.00 0.00 0.00 57.70 54.54 1wuq n MET 182 Cb 0.96 -1.46 0.03 0.00 -1.05 0.00 0.00 33.22 31.69 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 0.89 0.96 0.00 3.17 1.85 -1.26 -5.01 116.66 117.26 1wuq n ARG 183 Ca 0.17 -1.94 0.00 0.00 -1.00 0.00 0.00 57.85 55.08 1wuq n ARG 183 Cb 0.48 2.47 0.00 0.00 -1.05 0.00 0.00 32.46 34.37 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 -0.57 4.14 0.28 2.89 0.00 -1.26 -1.72 105.19 108.94 1wuq n GLY 184 Ca -0.07 0.10 0.17 0.00 0.00 0.00 0.00 46.02 46.22 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 0.16 -6.38 1.61 -1.51 -1.84 -3.47 116.25 104.82 1wuq h VAL 185 Ca 0.00 -0.46 -0.50 0.00 -1.23 0.00 0.00 66.70 64.51 1wuq h VAL 185 Cb 0.00 1.39 -0.11 0.00 -2.13 0.00 0.00 31.29 30.45 1wuq h VAL 185 CO 0.00 0.04 -0.77 -0.62 -1.23 0.00 0.00 177.57 175.00 1wuq n GLU 186 N -3.22 -4.43 -2.59 5.19 1.02 -0.70 -4.95 120.64 110.96 1wuq n GLU 186 Ca -0.01 0.50 -0.39 0.00 -0.02 0.00 0.00 57.16 57.25 1wuq n GLU 186 Cb 0.25 -5.32 -0.05 0.00 -0.02 0.00 0.00 31.44 26.30 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 -6.68 4.55 -0.13 3.49 -0.14 -0.29 -4.88 119.74 115.66 1wuq s LYS 187 Ca 0.68 1.59 0.13 0.00 -1.36 0.00 0.00 55.97 57.00 1wuq s LYS 187 Cb -0.35 -2.98 -0.18 0.00 -1.68 0.00 0.00 37.83 32.65 1wuq s LYS 187 CO 0.83 0.19 0.07 1.04 -0.76 0.00 0.00 175.35 176.72 1wuq n GLN 188 N 0.82 1.64 0.00 1.68 1.13 -1.26 -3.99 117.38 117.39 1wuq n GLN 188 Ca 0.01 -0.02 0.13 0.00 -1.94 0.00 0.00 57.00 55.18 1wuq n GLN 188 Cb 0.47 -1.36 0.31 0.00 0.11 0.00 0.00 30.24 29.78 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 -2.47 0.00 -3.08 1.08 8.25 -1.26 -4.99 115.22 112.74 1wuq n HIS 189 Ca -0.21 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 56.93 1wuq n HIS 189 Cb 0.91 -0.04 -0.06 0.00 1.12 0.00 0.00 29.99 31.92 1wuq n HIS 189 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1wuq s SER 190 N -2.24 6.79 0.01 0.41 1.04 -1.26 -5.08 113.70 113.36 1wuq s SER 190 Ca 0.29 1.33 -0.03 0.00 0.48 0.00 0.00 55.95 58.02 1wuq s SER 190 Cb 0.20 -2.39 -0.01 0.00 0.10 0.00 0.00 66.02 63.91 1wuq s SER 190 CO 0.43 -0.23 0.04 -0.13 0.98 0.00 0.00 173.24 174.32 1wuq s ARG 191 N -3.04 0.32 -0.06 4.02 0.52 -1.26 -4.73 118.95 114.71 1wuq s ARG 191 Ca 0.55 -0.41 0.04 0.00 -0.52 0.00 0.00 55.73 55.39 1wuq s ARG 191 Cb -0.10 0.12 -0.02 0.00 0.52 0.00 0.00 34.95 35.47 1wuq s ARG 191 CO 0.17 -0.06 -0.16 0.99 0.02 0.00 0.00 175.30 176.26 1wuq s THR 192 N -1.14 2.88 -0.12 0.02 2.01 -0.04 -4.94 115.64 114.31 1wuq s THR 192 Ca -0.12 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.11 1wuq s THR 192 Cb -0.07 -2.12 -0.01 0.00 0.01 0.00 0.00 72.50 70.30 1wuq s THR 192 CO -0.00 0.58 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.63 1wuq s VAL 193 N -0.49 2.58 0.13 3.82 1.01 -1.26 -1.28 120.40 124.91 1wuq s VAL 193 Ca 0.06 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.26 1wuq s VAL 193 Cb -0.12 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1wuq s VAL 193 CO 0.01 0.54 -0.12 0.42 0.00 0.00 0.00 175.10 175.96 1wuq s THR 194 N 0.34 1.19 0.26 3.92 -4.23 -0.10 -4.98 115.64 112.04 1wuq s THR 194 Ca -0.15 -1.83 -0.12 0.00 -1.18 0.00 0.00 61.69 58.41 1wuq s THR 194 Cb -0.17 -1.61 -0.00 0.00 1.34 0.00 0.00 72.50 72.06 1wuq s THR 194 CO 0.07 -0.57 0.49 -0.94 -0.54 0.00 0.00 174.62 173.13 1wuq s SER 195 N -2.73 0.02 -0.17 3.99 1.04 -1.26 -0.40 113.70 114.19 1wuq s SER 195 Ca 0.11 -1.00 -0.07 0.00 0.48 0.00 0.00 55.95 55.47 1wuq s SER 195 Cb -0.02 0.61 0.07 0.00 0.10 0.00 0.00 66.02 66.78 1wuq s SER 195 CO 0.02 -1.18 0.38 0.00 0.98 0.00 0.00 173.24 173.43 1wuq s ALA 196 N -3.83 -0.97 -0.12 5.32 0.00 -0.50 -4.65 121.76 117.01 1wuq s ALA 196 Ca 0.23 1.39 0.03 0.00 0.00 0.00 0.00 51.96 53.61 1wuq s ALA 196 Cb -0.01 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 22.06 1wuq s ALA 196 CO 0.10 -0.49 -0.21 -1.64 0.00 0.00 0.00 175.76 173.52 1wuq s MET 197 N 1.98 2.87 0.13 0.00 -1.94 -1.26 -1.02 119.30 120.06 1wuq s MET 197 Ca -0.05 -0.80 0.09 0.00 -1.71 0.00 0.00 55.69 53.21 1wuq s MET 197 Cb -0.10 -2.29 -0.04 0.00 2.01 0.00 0.00 34.83 34.41 1wuq s MET 197 CO -0.12 0.02 -0.20 -0.51 -0.01 0.00 0.00 175.02 174.20 1wuq s LEU 198 N 0.73 2.36 0.00 -0.03 1.43 0.36 -4.35 118.68 119.18 1wuq s LEU 198 Ca -0.10 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 1wuq s LEU 198 Cb -0.16 -0.89 0.00 0.00 0.03 0.00 0.00 46.19 45.17 1wuq s LEU 198 CO 0.01 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.23 1wuq n GLY 199 N 0.72 3.58 0.28 -3.19 0.00 -1.26 -1.99 105.19 103.33 1wuq n GLY 199 Ca -0.17 -0.09 0.15 0.00 0.00 0.00 0.00 46.02 45.91 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 0.47 -0.05 1.61 -1.51 -1.34 -1.73 116.25 113.71 1wuq h VAL 200 Ca 0.00 -0.29 -0.12 0.00 -1.23 0.00 0.00 66.70 65.06 1wuq h VAL 200 Cb 0.00 1.19 -0.01 0.00 -2.13 0.00 0.00 31.29 30.34 1wuq h VAL 200 CO 0.00 0.06 -0.52 -0.26 -1.23 0.00 0.00 177.57 175.62 1wuq h PHE 201 N 0.00 0.16 0.18 5.19 0.05 -1.68 0.14 116.94 120.99 1wuq h PHE 201 Ca -0.00 -0.05 -0.30 0.00 3.82 0.00 0.00 57.97 61.43 1wuq h PHE 201 Cb 0.19 -0.03 0.02 0.00 2.00 0.00 0.00 35.95 38.12 1wuq h PHE 201 CO 0.00 0.62 -1.45 -0.09 -0.18 0.00 0.00 178.31 177.22 1wuq h ARG 202 N 0.10 0.38 0.03 1.51 2.43 -1.44 -3.38 114.38 114.01 1wuq h ARG 202 Ca 0.00 -0.65 -0.26 0.00 -0.81 0.00 0.00 59.98 58.26 1wuq h ARG 202 Cb 0.95 0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 1wuq h ARG 202 CO 0.07 1.31 -1.31 0.93 -1.51 0.00 0.00 179.97 179.47 1wuq h GLU 203 N -0.06 0.07 -4.41 0.20 4.39 -1.35 -3.43 114.58 109.99 1wuq h GLU 203 Ca -0.28 -0.12 -0.73 0.00 0.34 0.00 0.00 59.36 58.57 1wuq h GLU 203 Cb 1.96 0.05 -0.22 0.00 -0.10 0.00 0.00 28.75 30.44 1wuq h GLU 203 CO 0.17 0.91 -0.23 1.21 -1.16 0.00 0.00 179.01 179.92 1wuq s ASN 204 N -6.64 6.17 0.22 1.42 3.04 0.50 -4.95 114.94 114.69 1wuq s ASN 204 Ca -0.03 -1.33 -0.08 0.00 0.04 0.00 0.00 52.86 51.46 1wuq s ASN 204 Cb 0.09 -2.21 0.32 0.00 -1.54 0.00 0.00 41.25 37.91 1wuq s ASN 204 CO 0.83 -0.74 1.72 -0.61 -3.04 0.00 0.00 177.10 175.26 1wuq h GLN 205 N 8.84 0.34 -0.14 0.43 5.75 -1.84 -1.60 115.11 126.89 1wuq h GLN 205 Ca -0.29 -0.02 -0.10 0.00 -0.15 0.00 0.00 58.65 58.10 1wuq h GLN 205 Cb 1.11 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.57 1wuq h GLN 205 CO 0.93 0.23 -0.34 0.87 -2.65 0.00 0.00 178.83 177.86 1wuq h LYS 206 N 0.35 0.28 -0.20 1.69 1.79 -1.94 -0.96 116.57 117.58 1wuq h LYS 206 Ca 0.33 -0.12 -0.06 0.00 -2.18 0.00 0.00 60.65 58.63 1wuq h LYS 206 Cb 0.47 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 1wuq h LYS 206 CO -0.37 0.59 -0.10 1.15 -1.08 0.00 0.00 179.45 179.64 1wuq h THR 207 N 0.24 1.31 -0.54 -0.16 2.02 -1.68 -0.38 112.91 113.72 1wuq h THR 207 Ca 0.03 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.03 1wuq h THR 207 Cb 0.72 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.75 1wuq h THR 207 CO 0.05 0.35 0.28 -0.09 0.37 0.00 0.00 175.52 176.49 1wuq h ARG 208 N 0.13 0.76 -0.72 6.66 2.43 -1.18 -2.02 114.38 120.44 1wuq h ARG 208 Ca 0.05 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1wuq h ARG 208 Cb 0.59 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 1wuq h ARG 208 CO 0.03 0.61 0.41 1.49 -1.51 0.00 0.00 179.97 181.00 1wuq h GLU 209 N 0.72 1.00 -0.69 0.20 4.81 -1.09 -1.24 114.58 118.29 1wuq h GLU 209 Ca 0.19 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1wuq h GLU 209 Cb 0.08 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 1wuq h GLU 209 CO -0.03 0.73 0.26 1.49 -0.73 0.00 0.00 179.01 180.73 1wuq h GLU 210 N 0.99 1.05 0.30 1.92 4.81 -0.84 -0.81 114.58 121.99 1wuq h GLU 210 Ca 0.26 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1wuq h GLU 210 Cb 0.01 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1wuq h GLU 210 CO -0.04 0.88 -0.14 0.35 -0.73 0.00 0.00 179.01 179.32 1wuq h PHE 211 N 0.99 -0.38 -0.24 0.92 -0.00 -0.96 -2.55 116.94 114.73 1wuq h PHE 211 Ca 0.23 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.97 58.18 1wuq h PHE 211 Cb 0.24 0.12 -0.01 0.00 -0.00 0.00 0.00 35.95 36.30 1wuq h PHE 211 CO 0.02 -0.18 0.12 -0.07 -0.00 0.00 0.00 178.31 178.21 1wuq h LEU 212 N -0.49 0.29 -1.01 0.59 3.38 -1.14 -1.98 115.31 114.95 1wuq h LEU 212 Ca -0.04 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1wuq h LEU 212 Cb 0.37 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1wuq h LEU 212 CO 0.07 0.24 -0.09 0.28 0.09 0.00 0.00 178.44 179.04 1wuq h SER 213 N 0.33 0.59 0.34 -0.43 0.02 -0.95 -2.34 113.55 111.12 1wuq h SER 213 Ca 0.09 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 1wuq h SER 213 Cb 0.02 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 1wuq h SER 213 CO -0.01 0.72 -0.16 0.45 -1.14 0.00 0.00 176.83 176.70 1wuq h HIS 214 N 0.57 0.00 0.00 3.45 3.86 -0.94 -2.13 115.15 119.96 1wuq h HIS 214 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1wuq h HIS 214 Cb 0.49 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.96 1wuq h HIS 214 CO 0.02 0.16 0.00 1.28 0.86 0.00 0.00 177.93 180.25 1wuq n LEU 215 N -3.82 0.38 -0.72 2.43 4.77 -0.88 -5.13 117.00 114.03 1wuq n LEU 215 Ca -0.02 0.54 0.09 0.00 -0.03 0.00 0.00 56.01 56.59 1wuq n LEU 215 Cb 0.26 -0.43 0.07 0.00 -2.33 0.00 0.00 43.42 40.99 1wuq n LEU 215 CO 0.32 -0.13 0.53 0.54 -1.33 0.00 0.00 177.39 177.32