#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 6.54 0.37 6.55 -1.08 -1.26 -4.85 116.67 122.93 1wuq s ASP 34 Ca 0.00 -1.60 0.04 0.00 -0.52 0.00 0.00 52.55 50.47 1wuq s ASP 34 Cb 0.00 -2.54 0.70 0.00 -1.46 0.00 0.00 42.92 39.62 1wuq s ASP 34 CO 0.00 -1.42 2.02 -0.07 0.52 0.00 0.00 175.17 176.22 1wuq h LEU 35 N 12.39 0.66 -0.59 -1.34 3.38 -1.99 -2.02 115.31 125.79 1wuq h LEU 35 Ca 0.20 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 1wuq h LEU 35 Cb 1.01 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 1wuq h LEU 35 CO 1.38 0.47 0.21 -0.33 0.09 0.00 0.00 178.44 180.26 1wuq h GLU 36 N 0.78 0.90 -0.41 1.13 4.39 -2.00 -1.03 114.58 118.34 1wuq h GLU 36 Ca 0.22 -0.18 -0.12 0.00 0.34 0.00 0.00 59.36 59.62 1wuq h GLU 36 Cb -0.06 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 1wuq h GLU 36 CO -0.05 0.79 -0.24 -0.09 -1.16 0.00 0.00 179.01 178.26 1wuq h ARG 37 N 0.83 0.85 -0.53 2.33 9.65 -1.86 -2.37 114.38 123.27 1wuq h ARG 37 Ca 0.19 -0.36 -0.03 0.00 -1.10 0.00 0.00 59.98 58.69 1wuq h ARG 37 Cb 0.24 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.77 1wuq h ARG 37 CO -0.01 1.00 0.22 -0.07 2.80 0.00 0.00 179.97 183.90 1wuq h LEU 38 N 0.73 0.73 -0.99 3.80 3.38 -1.09 -1.26 115.31 120.62 1wuq h LEU 38 Ca 0.09 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1wuq h LEU 38 Cb 0.78 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 1wuq h LEU 38 CO 0.06 0.69 0.66 1.56 0.09 0.00 0.00 178.44 181.51 1wuq h GLN 39 N 0.72 1.31 -0.24 1.13 4.20 -1.05 1.00 115.11 122.17 1wuq h GLN 39 Ca 0.18 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 1wuq h GLN 39 Cb 0.19 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1wuq h GLN 39 CO -0.02 0.87 0.05 0.00 -0.67 0.00 0.00 178.83 179.06 1wuq h ALA 40 N 1.36 0.32 -0.84 3.87 0.00 -1.09 0.18 119.26 123.06 1wuq h ALA 40 Ca 0.36 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1wuq h ALA 40 Cb -0.16 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1wuq h ALA 40 CO -0.08 -0.01 0.38 -0.07 0.00 0.00 0.00 179.25 179.47 1wuq h LEU 41 N 0.21 1.11 -0.73 0.00 3.38 -0.81 -1.74 115.31 116.73 1wuq h LEU 41 Ca 0.07 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 1wuq h LEU 41 Cb 0.31 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1wuq h LEU 41 CO 0.00 0.95 -0.20 0.00 0.09 0.00 0.00 178.44 179.28 1wuq h ALA 42 N 1.21 0.92 -0.56 1.53 0.00 -0.61 -0.27 119.26 121.48 1wuq h ALA 42 Ca 0.29 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1wuq h ALA 42 Cb 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1wuq h ALA 42 CO -0.03 0.62 -0.07 0.00 0.00 0.00 0.00 179.25 179.77 1wuq h ALA 43 N 1.11 0.83 -0.02 0.00 0.00 -0.60 -1.73 119.26 118.85 1wuq h ALA 43 Ca 0.10 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 1wuq h ALA 43 Cb 0.70 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1wuq h ALA 43 CO 0.05 0.66 -0.63 1.49 0.00 0.00 0.00 179.25 180.83 1wuq h GLU 44 N 0.91 0.08 -0.35 0.00 4.81 -1.14 -2.84 114.58 116.05 1wuq h GLU 44 Ca 0.15 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1wuq h GLU 44 Cb 0.62 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 1wuq h GLU 44 CO 0.04 0.68 0.20 2.35 -0.73 0.00 0.00 179.01 181.55 1wuq h TRP 45 N 0.05 0.47 -0.81 0.92 2.91 -0.66 -0.73 115.95 118.11 1wuq h TRP 45 Ca -0.01 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.04 1wuq h TRP 45 Cb 1.12 -0.15 -0.05 0.00 -0.51 0.00 0.00 29.16 29.57 1wuq h TRP 45 CO 0.01 0.36 0.51 -0.07 -1.03 0.00 0.00 178.44 178.22 1wuq h LEU 46 N 0.44 0.84 -0.03 0.65 3.38 -1.17 -1.99 115.31 117.43 1wuq h LEU 46 Ca 0.12 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1wuq h LEU 46 Cb 0.04 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1wuq h LEU 46 CO -0.02 0.57 0.01 1.56 0.09 0.00 0.00 178.44 180.65 1wuq h GLN 47 N 0.99 0.05 -0.60 1.13 4.20 -1.21 -1.13 115.11 118.54 1wuq h GLN 47 Ca 0.33 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 59.02 1wuq h GLN 47 Cb 0.04 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 1wuq h GLN 47 CO -0.12 0.27 0.36 0.28 -0.67 0.00 0.00 178.83 178.95 1wuq h VAL 48 N -0.17 1.17 0.00 -0.54 2.07 -0.87 -1.84 116.25 116.07 1wuq h VAL 48 Ca 0.01 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1wuq h VAL 48 Cb 0.24 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1wuq h VAL 48 CO 0.00 0.18 0.00 2.30 0.02 0.00 0.00 177.57 180.07 1wuq n ILE 49 N -4.41 0.25 0.00 4.57 -5.35 -0.77 -4.88 119.36 108.75 1wuq n ILE 49 Ca 0.06 0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.60 1wuq n ILE 49 Cb 0.07 -0.64 0.00 0.00 -1.74 0.00 0.00 39.64 37.33 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 0.92 0.87 3.97 3.28 0.00 -0.69 -5.11 105.19 108.42 1wuq n GLY 50 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.60 2.43 -0.39 1.61 0.41 -0.43 -5.02 118.70 116.71 1wuq s GLU 51 Ca 0.00 -0.72 -0.08 0.00 -0.41 0.00 0.00 54.97 53.76 1wuq s GLU 51 Cb 0.00 -2.42 0.06 0.00 -1.78 0.00 0.00 34.13 29.99 1wuq s GLU 51 CO 0.00 -0.85 0.21 0.34 -0.49 0.00 0.00 175.26 174.47 1wuq s ASP 52 N -4.46 5.53 0.59 -0.19 2.15 -1.26 -4.17 116.67 114.87 1wuq s ASP 52 Ca 0.58 -1.37 0.40 0.00 0.43 0.00 0.00 52.55 52.59 1wuq s ASP 52 Cb -0.10 -1.95 2.11 0.00 -0.30 0.00 0.00 42.92 42.69 1wuq s ASP 52 CO 0.40 -0.46 2.21 -0.65 -0.17 0.00 0.00 175.17 176.50 1wuq h PRO 53 N 8.34 0.00 0.00 4.34 0.11 -1.90 -0.65 132.00 142.24 1wuq h PRO 53 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 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 0.70 0.00 -0.11 0.41 -0.21 0.00 0.00 178.00 178.79 1wuq n GLY 54 N -0.99 -1.60 3.64 -0.55 0.00 -1.26 -3.85 105.19 100.58 1wuq n GLY 54 Ca -0.02 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.04 1.43 -0.35 1.61 1.74 -0.25 -4.81 116.66 113.99 1wuq n ARG 55 Ca 0.06 0.52 0.03 0.00 -0.77 0.00 0.00 57.85 57.69 1wuq n ARG 55 Cb 0.41 -2.19 0.18 0.00 -1.02 0.00 0.00 32.46 29.84 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 1.46 1.04 0.00 5.56 4.81 -1.90 -1.87 114.58 123.69 1wuq h GLU 56 Ca -0.47 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1wuq h GLU 56 Cb 1.33 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1wuq h GLU 56 CO 0.56 0.69 0.00 0.78 -0.73 0.00 0.00 179.01 180.31 1wuq h GLY 57 N 1.08 0.00 -0.52 1.92 0.00 -1.95 -3.25 103.07 100.35 1wuq h GLY 57 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1wuq h GLY 57 CO -0.20 0.00 -0.44 1.04 0.00 0.00 0.00 176.54 176.94 1wuq n LEU 58 N -2.54 1.36 -0.31 3.11 4.77 -0.77 -4.60 117.00 118.03 1wuq n LEU 58 Ca 0.03 -0.69 0.06 0.00 -0.03 0.00 0.00 56.01 55.38 1wuq n LEU 58 Cb 0.35 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.66 1wuq n LEU 58 CO 0.27 0.27 1.14 -0.07 -1.33 0.00 0.00 177.39 177.67 1wuq h LEU 59 N 1.28 0.66 -1.84 2.23 3.38 -1.42 -1.90 115.31 117.69 1wuq h LEU 59 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1wuq h LEU 59 Cb 0.49 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1wuq h LEU 59 CO 0.00 0.32 0.00 0.29 0.09 0.00 0.00 178.44 179.14 1wuq n LYS 60 N -4.78 2.25 -0.16 1.13 5.02 -1.26 -4.53 118.16 115.82 1wuq n LYS 60 Ca 0.17 -1.83 -0.07 0.00 -2.02 0.00 0.00 58.31 54.55 1wuq n LYS 60 Cb 0.38 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 33.93 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 4.15 1.15 -0.98 -0.18 2.02 -1.59 -1.57 112.91 115.92 1wuq h THR 61 Ca 0.00 -0.33 0.07 0.00 0.77 0.00 0.00 66.41 66.92 1wuq h THR 61 Cb 0.89 0.49 -0.07 0.00 -1.74 0.00 0.00 68.15 67.72 1wuq h THR 61 CO 0.00 0.15 0.62 -0.65 0.37 0.00 0.00 175.52 176.02 1wuq h PRO 62 N 0.65 1.08 -0.23 6.66 0.11 -1.80 0.34 132.00 138.81 1wuq h PRO 62 Ca 0.17 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.18 1wuq h PRO 62 Cb -0.01 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 30.85 1wuq h PRO 62 CO -0.03 0.71 -0.00 1.49 -0.21 0.00 0.00 178.00 179.96 1wuq h GLU 63 N 1.11 0.41 -0.49 1.05 4.81 -1.82 -0.80 114.58 118.85 1wuq h GLU 63 Ca 0.43 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 1wuq h GLU 63 Cb 0.22 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1wuq h GLU 63 CO -0.19 0.59 0.28 0.00 -0.73 0.00 0.00 179.01 178.96 1wuq h ARG 64 N 0.18 0.68 -0.50 1.92 3.08 -0.46 -1.80 114.38 117.48 1wuq h ARG 64 Ca 0.07 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1wuq h ARG 64 Cb 0.41 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1wuq h ARG 64 CO 0.01 0.52 0.17 0.28 -1.07 0.00 0.00 179.97 179.89 1wuq h VAL 65 N 0.65 1.22 0.03 2.04 2.07 -0.29 -0.48 116.25 121.50 1wuq h VAL 65 Ca 0.17 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 66.98 1wuq h VAL 65 Cb 0.03 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1wuq h VAL 65 CO -0.03 0.27 -0.12 0.00 0.02 0.00 0.00 177.57 177.71 1wuq h ALA 66 N 1.03 -0.17 -0.72 1.67 0.00 -0.89 -0.78 119.26 119.39 1wuq h ALA 66 Ca 0.16 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1wuq h ALA 66 Cb 0.25 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1wuq h ALA 66 CO -0.01 -0.63 0.39 0.87 0.00 0.00 0.00 179.25 179.88 1wuq h LYS 67 N -0.23 1.00 -0.20 0.00 1.57 -1.23 -2.23 116.57 115.26 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 0.26 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1wuq h LYS 67 CO -0.10 0.75 0.09 0.00 -0.57 0.00 0.00 179.45 179.62 1wuq h ALA 68 N 1.20 0.23 0.00 3.86 0.00 -0.71 -2.26 119.26 121.57 1wuq h ALA 68 Ca 0.25 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 1wuq h ALA 68 Cb 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1wuq h ALA 68 CO -0.04 -0.33 -0.26 -1.49 0.00 0.00 0.00 179.25 177.12 1wuq h TRP 69 N 0.19 0.00 -0.32 0.00 4.06 -0.99 0.82 115.95 119.72 1wuq h TRP 69 Ca 0.08 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.88 1wuq h TRP 69 Cb 0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.18 1wuq h TRP 69 CO -0.10 0.26 -0.41 0.00 -3.56 0.00 0.00 178.44 174.63 1wuq h ALA 70 N 1.74 0.67 -0.14 1.49 0.00 -1.11 -2.41 119.26 119.49 1wuq h ALA 70 Ca -0.00 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 1wuq h ALA 70 Cb 0.63 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1wuq h ALA 70 CO 0.03 0.67 -0.40 0.35 0.00 0.00 0.00 179.25 179.90 1wuq h PHE 71 N 0.64 0.68 0.00 0.00 3.57 -0.82 -2.48 116.94 118.53 1wuq h PHE 71 Ca 0.05 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 61.28 1wuq h PHE 71 Cb 0.97 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.59 1wuq h PHE 71 CO 0.05 1.02 0.00 1.28 -2.23 0.00 0.00 178.31 178.43 1wuq n LEU 72 N -4.29 0.44 -0.05 0.59 4.77 0.23 -2.26 117.00 116.43 1wuq n LEU 72 Ca -0.07 0.64 0.04 0.00 -0.03 0.00 0.00 56.01 56.59 1wuq n LEU 72 Cb 0.54 -0.62 0.06 0.00 -2.33 0.00 0.00 43.42 41.06 1wuq n LEU 72 CO 0.45 -0.60 0.50 0.35 -1.33 0.00 0.00 177.39 176.76 1wuq n THR 73 N -2.02 1.24 0.29 -5.08 -2.24 -0.91 -2.75 114.28 102.81 1wuq n THR 73 Ca 0.01 -1.39 0.18 0.00 -2.27 0.00 0.00 64.05 60.58 1wuq n THR 73 Cb 0.14 0.24 0.89 0.00 -2.10 0.00 0.00 70.33 69.50 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 0.00 0.00 -0.36 -0.78 0.11 -0.99 -2.85 114.38 109.50 1wuq h ARG 74 Ca 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 1wuq h ARG 74 Cb 0.77 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.83 1wuq h ARG 74 CO 0.00 0.00 0.22 0.78 0.10 0.00 0.00 179.97 181.07 1wuq h GLY 75 N 0.69 0.52 1.75 0.08 0.00 -1.43 -1.75 103.07 102.93 1wuq h GLY 75 Ca 0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 1wuq h GLY 75 CO 0.00 0.20 -0.09 -0.97 0.00 0.00 0.00 176.54 175.68 1wuq h TYR 76 N 0.50 0.32 -0.17 5.60 0.05 -1.65 -2.78 116.97 118.84 1wuq h TYR 76 Ca 0.13 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.88 1wuq h TYR 76 Cb -0.03 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.62 1wuq h TYR 76 CO 0.00 0.40 0.00 0.54 -1.05 0.00 0.00 178.16 178.05 1wuq n ARG 77 N -4.29 1.72 -3.68 4.88 1.74 -0.67 -4.91 116.66 111.45 1wuq n ARG 77 Ca -0.00 -1.08 -0.25 0.00 -0.77 0.00 0.00 57.85 55.75 1wuq n ARG 77 Cb 0.25 -1.39 -0.02 0.00 -1.02 0.00 0.00 32.46 30.28 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 -1.79 3.49 -0.11 5.56 -0.21 -1.05 -5.10 119.66 120.44 1wuq s GLN 78 Ca 0.32 -0.44 0.03 0.00 0.02 0.00 0.00 55.36 55.29 1wuq s GLN 78 Cb 0.17 -2.81 -0.00 0.00 1.00 0.00 0.00 33.01 31.37 1wuq s GLN 78 CO 0.26 0.35 -0.21 1.03 -2.12 0.00 0.00 175.29 174.59 1wuq s ARG 79 N -3.73 3.11 0.28 2.91 0.52 -1.26 -5.03 118.95 115.75 1wuq s ARG 79 Ca 0.38 -0.84 0.02 0.00 -0.52 0.00 0.00 55.73 54.77 1wuq s ARG 79 Cb -0.10 -2.39 0.65 0.00 0.52 0.00 0.00 34.95 33.62 1wuq s ARG 79 CO 0.31 0.15 1.73 1.25 0.02 0.00 0.00 175.30 178.76 1wuq h LEU 80 N 6.83 0.45 -0.92 2.53 5.85 -1.98 0.09 115.31 128.15 1wuq h LEU 80 Ca -0.23 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1wuq h LEU 80 Cb 1.23 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.28 1wuq h LEU 80 CO 0.50 0.11 0.56 -0.08 -0.34 0.00 0.00 178.44 179.19 1wuq h GLU 81 N 0.52 1.25 -0.02 1.25 4.81 -2.00 -1.11 114.58 119.28 1wuq h GLU 81 Ca 0.52 -0.11 -0.21 0.00 -0.13 0.00 0.00 59.36 59.43 1wuq h GLU 81 Cb 0.88 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 1wuq h GLU 81 CO -0.45 0.87 -0.87 1.49 -0.73 0.00 0.00 179.01 179.33 1wuq h GLU 82 N 1.27 0.37 -0.72 1.92 4.22 -1.53 -2.69 114.58 117.42 1wuq h GLU 82 Ca 0.33 -0.37 -0.03 0.00 0.08 0.00 0.00 59.36 59.38 1wuq h GLU 82 Cb -0.06 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1wuq h GLU 82 CO -0.06 1.04 0.34 0.28 -2.18 0.00 0.00 179.01 178.43 1wuq h VAL 83 N 0.22 1.24 -0.10 0.32 2.07 -0.59 -2.66 116.25 116.75 1wuq h VAL 83 Ca -0.06 -0.67 -0.15 0.00 0.82 0.00 0.00 66.70 66.64 1wuq h VAL 83 Cb 1.49 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1wuq h VAL 83 CO 0.15 0.28 -0.61 0.58 0.02 0.00 0.00 177.57 177.99 1wuq h VAL 84 N 1.01 1.37 -5.18 2.57 2.07 -1.25 -3.47 116.25 113.37 1wuq h VAL 84 Ca 0.25 -1.96 -0.40 0.00 0.82 0.00 0.00 66.70 65.41 1wuq h VAL 84 Cb 0.12 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1wuq h VAL 84 CO -0.03 0.59 -0.60 0.61 0.02 0.00 0.00 177.57 178.16 1wuq n GLY 85 N 0.30 -0.50 2.65 2.17 0.00 -1.01 -1.81 105.19 106.99 1wuq n GLY 85 Ca -0.03 0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.38 1.37 2.30 -0.02 0.00 -1.26 -4.87 105.19 101.32 1wuq n GLY 86 Ca -0.05 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 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 1.26 7.12 -3.79 4.61 0.00 -0.75 -4.82 120.51 124.14 1wuq n ALA 87 Ca -0.14 -3.30 -0.33 0.00 0.00 0.00 0.00 53.44 49.67 1wuq n ALA 87 Cb 0.58 -2.96 -0.15 0.00 0.00 0.00 0.00 19.45 16.91 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 0.91 2.51 0.34 0.00 1.01 -1.26 -1.00 120.40 122.91 1wuq s VAL 88 Ca 0.65 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.93 1wuq s VAL 88 Cb 0.22 -2.08 -0.06 0.00 0.00 0.00 0.00 36.38 34.47 1wuq s VAL 88 CO -0.07 0.51 -0.02 -0.36 0.00 0.00 0.00 175.10 175.16 1wuq s PHE 89 N 1.19 2.51 0.30 5.22 0.08 0.53 -4.94 117.98 122.87 1wuq s PHE 89 Ca 0.02 -0.44 -0.29 0.00 0.12 0.00 0.00 56.93 56.34 1wuq s PHE 89 Cb -0.14 -1.43 -0.10 0.00 -0.57 0.00 0.00 43.02 40.78 1wuq s PHE 89 CO -0.07 0.52 1.33 -2.14 -0.10 0.00 0.00 175.22 174.75 1wuq s PRO 90 N -3.68 4.35 0.39 0.24 0.02 -1.26 -0.35 135.00 134.71 1wuq s PRO 90 Ca 0.34 2.20 -0.27 0.00 0.02 0.00 0.00 61.00 63.30 1wuq s PRO 90 Cb 0.00 -3.09 -0.09 0.00 0.02 0.00 0.00 34.50 31.33 1wuq s PRO 90 CO 0.19 -0.23 1.36 0.00 -0.33 0.00 0.00 177.00 177.99 1wuq s ALA 91 N -0.80 3.36 -0.41 -1.55 0.00 -0.32 -4.59 121.76 117.45 1wuq s ALA 91 Ca 0.51 1.35 0.23 0.00 0.00 0.00 0.00 51.96 54.05 1wuq s ALA 91 Cb -0.40 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.23 1wuq s ALA 91 CO 0.49 -0.90 1.02 0.39 0.00 0.00 0.00 175.76 176.76 1wuq n GLU 92 N 0.27 0.45 -3.10 0.00 -0.58 -1.26 -4.97 120.64 111.44 1wuq n GLU 92 Ca 0.03 0.03 -0.03 0.00 -0.42 0.00 0.00 57.16 56.77 1wuq n GLU 92 Cb 0.42 -1.68 0.02 0.00 -0.57 0.00 0.00 31.44 29.62 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 1.28 0.92 0.79 0.62 0.00 -1.26 -5.05 105.19 102.50 1wuq n GLY 93 Ca 0.01 -1.11 0.07 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.16 3.09 -4.90 1.61 3.41 -1.26 -4.81 113.62 109.60 1wuq n SER 94 Ca -0.03 -1.96 -0.28 0.00 -0.26 0.00 0.00 58.87 56.34 1wuq n SER 94 Cb 0.41 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 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 -1.02 3.51 0.40 4.33 0.41 -1.26 -4.72 118.70 120.36 1wuq s GLU 95 Ca 0.28 0.31 -0.26 0.00 -0.41 0.00 0.00 54.97 54.89 1wuq s GLU 95 Cb 0.15 -2.30 -0.09 0.00 -1.78 0.00 0.00 34.13 30.11 1wuq s GLU 95 CO 0.20 -0.32 1.36 1.41 -0.49 0.00 0.00 175.26 177.42 1wuq s MET 96 N -4.86 3.97 -0.11 1.61 0.00 -1.26 -4.54 119.30 114.11 1wuq s MET 96 Ca 0.49 2.28 0.03 0.00 0.00 0.00 0.00 55.69 58.50 1wuq s MET 96 Cb -0.10 -2.80 -0.00 0.00 0.00 0.00 0.00 34.83 31.92 1wuq s MET 96 CO 0.47 -0.54 -0.22 0.08 0.00 0.00 0.00 175.02 174.81 1wuq s VAL 97 N -1.21 2.17 -0.16 10.11 1.01 -0.23 -4.99 120.40 127.10 1wuq s VAL 97 Ca 0.56 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1wuq s VAL 97 Cb -0.41 -1.84 0.03 0.00 0.00 0.00 0.00 36.38 34.16 1wuq s VAL 97 CO 0.53 0.55 -0.12 -0.69 0.00 0.00 0.00 175.10 175.37 1wuq s VAL 98 N 0.42 1.55 -0.42 2.92 1.01 -1.26 -1.57 120.40 123.04 1wuq s VAL 98 Ca -0.16 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 1wuq s VAL 98 Cb -0.17 -1.51 0.08 0.00 0.00 0.00 0.00 36.38 34.77 1wuq s VAL 98 CO 0.07 0.36 0.27 -0.69 0.00 0.00 0.00 175.10 175.11 1wuq s VAL 99 N 1.48 4.27 0.37 2.92 1.01 0.76 -4.98 120.40 126.23 1wuq s VAL 99 Ca 0.03 -1.40 0.08 0.00 0.00 0.00 0.00 61.98 60.69 1wuq s VAL 99 Cb -0.14 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1wuq s VAL 99 CO -0.10 -0.52 0.28 -1.59 0.00 0.00 0.00 175.10 173.17 1wuq s LYS 100 N 1.43 2.54 -1.45 2.72 -2.85 -1.26 -0.47 119.74 120.40 1wuq s LYS 100 Ca 0.03 -1.49 0.00 0.00 -1.00 0.00 0.00 55.97 53.52 1wuq s LYS 100 Cb -0.23 -2.33 0.00 0.00 -2.06 0.00 0.00 37.83 33.21 1wuq s LYS 100 CO 0.02 -0.03 0.00 0.41 0.10 0.00 0.00 175.35 175.86 1wuq n GLY 101 N -1.38 0.00 3.56 0.59 0.00 -1.22 -4.94 105.19 101.80 1wuq n GLY 101 Ca -0.00 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.78 3.71 0.47 1.61 1.01 -0.65 -4.82 120.40 118.95 1wuq s VAL 102 Ca 0.00 0.49 -0.24 0.00 0.00 0.00 0.00 61.98 62.22 1wuq s VAL 102 Cb 0.00 -4.64 -0.07 0.00 0.00 0.00 0.00 36.38 31.66 1wuq s VAL 102 CO 0.00 -1.51 1.38 -1.83 0.00 0.00 0.00 175.10 173.14 1wuq s GLU 103 N 5.80 3.61 0.07 2.72 1.03 -1.26 -0.46 118.70 130.21 1wuq s GLU 103 Ca 0.45 2.30 -0.00 0.00 0.03 0.00 0.00 54.97 57.75 1wuq s GLU 103 Cb -0.09 -2.57 -0.04 0.00 -0.80 0.00 0.00 34.13 30.63 1wuq s GLU 103 CO 0.19 -0.84 -0.03 -0.59 -1.33 0.00 0.00 175.26 172.66 1wuq s PHE 104 N -1.25 0.63 -0.01 4.83 -0.71 -0.44 -4.85 117.98 116.18 1wuq s PHE 104 Ca 0.63 -1.05 0.00 0.00 -1.04 0.00 0.00 56.93 55.47 1wuq s PHE 104 Cb -0.41 -0.43 0.01 0.00 -1.21 0.00 0.00 43.02 40.98 1wuq s PHE 104 CO 0.52 -0.34 0.01 0.71 -1.34 0.00 0.00 175.22 174.78 1wuq s TYR 105 N -3.86 0.03 0.35 3.49 2.02 -1.26 -2.27 117.35 115.84 1wuq s TYR 105 Ca 0.09 0.05 0.02 0.00 -0.37 0.00 0.00 57.07 56.86 1wuq s TYR 105 Cb 0.07 -0.11 -0.00 0.00 -0.40 0.00 0.00 41.96 41.52 1wuq s TYR 105 CO -0.08 -0.04 0.42 0.45 -1.57 0.00 0.00 175.55 174.73 1wuq n SER 106 N 3.56 -1.15 -4.03 2.29 2.88 -0.27 -4.31 113.62 112.59 1wuq n SER 106 Ca -0.19 -3.03 -0.26 0.00 -1.33 0.00 0.00 58.87 54.05 1wuq n SER 106 Cb 0.56 2.28 -0.17 0.00 -0.75 0.00 0.00 64.21 66.13 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 -3.01 1.92 0.22 -1.46 -1.94 -1.23 -1.64 119.30 112.16 1wuq s MET 107 Ca 0.33 -0.47 -0.30 0.00 -1.71 0.00 0.00 55.69 53.55 1wuq s MET 107 Cb 0.00 -1.62 -0.09 0.00 2.01 0.00 0.00 34.83 35.13 1wuq s MET 107 CO 0.24 -0.03 1.26 0.00 -0.01 0.00 0.00 175.02 176.48 1wuq h GLU 109 N 4.92 0.00 0.09 0.00 4.11 -1.46 -0.41 114.58 121.83 1wuq h GLU 109 Ca -0.45 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 58.69 1wuq h GLU 109 Cb 1.22 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.49 1wuq h GLU 109 CO 0.74 0.00 -1.19 0.45 0.07 0.00 0.00 179.01 179.08 1wuq h HIS 110 N 0.00 0.97 0.00 2.06 3.86 -1.90 -3.40 115.15 116.74 1wuq h HIS 110 Ca 0.00 -0.59 0.00 0.00 -1.16 0.00 0.00 60.37 58.62 1wuq h HIS 110 Cb 0.38 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.77 1wuq h HIS 110 CO 0.00 1.43 0.00 0.72 0.86 0.00 0.00 177.93 180.94 1wuq n HIS 111 N -3.79 0.00 -3.08 2.45 8.25 -1.22 -5.01 115.22 112.83 1wuq n HIS 111 Ca -0.12 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.12 1wuq n HIS 111 Cb 0.96 0.00 0.04 0.00 1.12 0.00 0.00 29.99 32.11 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 -0.48 -2.77 -4.52 2.41 4.77 -0.17 -5.00 117.00 111.24 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 -2.88 -0.11 0.00 -2.33 0.00 0.00 43.42 38.12 1wuq n LEU 112 CO 0.00 0.29 -0.46 -0.76 -1.33 0.00 0.00 177.39 175.14 1wuq s LEU 113 N -6.50 2.83 0.45 2.23 1.43 -1.26 -4.87 118.68 112.99 1wuq s LEU 113 Ca 0.34 -0.40 -0.24 0.00 -1.03 0.00 0.00 54.13 52.80 1wuq s LEU 113 Cb -0.15 -1.65 -0.07 0.00 0.03 0.00 0.00 46.19 44.34 1wuq s LEU 113 CO 0.42 0.22 1.25 -2.84 0.23 0.00 0.00 176.35 175.63 1wuq s PRO 114 N -1.78 3.75 -0.02 1.29 0.02 -1.26 -1.24 135.00 135.76 1wuq s PRO 114 Ca 0.17 2.01 0.02 0.00 0.02 0.00 0.00 61.00 63.22 1wuq s PRO 114 Cb -0.11 -2.53 0.00 0.00 0.02 0.00 0.00 34.50 31.88 1wuq s PRO 114 CO 0.09 -0.63 -0.06 -0.59 -0.33 0.00 0.00 177.00 175.48 1wuq s PHE 115 N -1.38 0.61 0.22 6.54 -0.12 -0.65 -1.93 117.98 121.27 1wuq s PHE 115 Ca 0.62 -0.13 -0.14 0.00 -0.05 0.00 0.00 56.93 57.23 1wuq s PHE 115 Cb -0.34 -0.45 0.00 0.00 -0.63 0.00 0.00 43.02 41.60 1wuq s PHE 115 CO 0.43 -0.06 0.47 -0.59 -0.05 0.00 0.00 175.22 175.42 1wuq s PHE 116 N 0.16 0.22 0.00 3.49 -0.71 -0.35 -1.11 117.98 119.68 1wuq s PHE 116 Ca -0.02 -0.59 0.00 0.00 -1.04 0.00 0.00 56.93 55.28 1wuq s PHE 116 Cb -0.06 0.23 0.00 0.00 -1.21 0.00 0.00 43.02 41.98 1wuq s PHE 116 CO -0.00 -0.95 0.00 0.41 -1.34 0.00 0.00 175.22 173.34 1wuq n GLY 117 N -0.35 -0.49 3.02 1.99 0.00 -0.96 0.13 105.19 108.53 1wuq n GLY 117 Ca -0.04 0.12 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 0.40 -0.09 1.61 1.02 -0.29 -1.33 119.74 121.06 1wuq s LYS 118 Ca 0.00 -0.73 0.03 0.00 0.02 0.00 0.00 55.97 55.28 1wuq s LYS 118 Cb 0.00 0.15 -0.01 0.00 -0.52 0.00 0.00 37.83 37.44 1wuq s LYS 118 CO 0.00 -0.07 -0.18 0.08 -0.92 0.00 0.00 175.35 174.25 1wuq s VAL 119 N -2.05 2.62 -0.12 3.17 1.01 0.40 -1.39 120.40 124.04 1wuq s VAL 119 Ca -0.10 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.06 1wuq s VAL 119 Cb -0.05 -2.04 -0.00 0.00 0.00 0.00 0.00 36.38 34.29 1wuq s VAL 119 CO -0.03 0.55 -0.21 -1.00 0.00 0.00 0.00 175.10 174.42 1wuq s HIS 120 N 0.05 2.64 -0.04 5.22 0.09 0.19 -1.63 115.29 121.80 1wuq s HIS 120 Ca -0.07 -1.00 0.07 0.00 -0.00 0.00 0.00 55.06 54.05 1wuq s HIS 120 Cb -0.15 -1.77 -0.01 0.00 -0.00 0.00 0.00 32.58 30.65 1wuq s HIS 120 CO 0.05 -0.41 -0.25 0.42 -0.00 0.00 0.00 174.74 174.56 1wuq s ILE 121 N 0.44 2.02 0.00 0.60 1.01 0.39 -1.05 121.20 124.61 1wuq s ILE 121 Ca -0.15 -1.06 0.02 0.00 0.00 0.00 0.00 60.65 59.46 1wuq s ILE 121 Cb -0.17 -1.70 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 1wuq s ILE 121 CO 0.06 0.56 -0.06 -0.83 0.00 0.00 0.00 174.94 174.67 1wuq s GLY 122 N -0.32 0.33 0.08 6.18 0.00 0.39 -0.17 107.32 113.81 1wuq s GLY 122 Ca 0.01 -0.34 -0.25 0.00 0.00 0.00 0.00 44.72 44.15 1wuq s GLY 122 CO 0.02 -0.31 0.60 -2.52 0.00 0.00 0.00 173.10 170.89 1wuq s TYR 123 N -0.31 -0.54 -0.24 1.90 -0.85 -0.61 0.67 117.35 117.38 1wuq s TYR 123 Ca 0.01 0.56 0.02 0.00 -0.52 0.00 0.00 57.07 57.14 1wuq s TYR 123 Cb -0.03 0.47 0.05 0.00 0.38 0.00 0.00 41.96 42.82 1wuq s TYR 123 CO -0.00 -0.74 -0.13 0.42 -1.52 0.00 0.00 175.55 173.58 1wuq s ILE 124 N -2.81 2.19 0.80 -3.49 1.01 -0.88 -1.07 121.20 116.96 1wuq s ILE 124 Ca -0.03 -1.40 -0.11 0.00 0.00 0.00 0.00 60.65 59.10 1wuq s ILE 124 Cb -0.01 -2.18 0.08 0.00 0.01 0.00 0.00 42.46 40.36 1wuq s ILE 124 CO -0.05 0.14 1.11 -2.16 0.00 0.00 0.00 174.94 173.99 1wuq s PRO 125 N 1.17 1.96 -0.51 2.79 0.04 -1.26 -0.48 135.00 138.70 1wuq s PRO 125 Ca -0.04 1.33 0.07 0.00 0.04 0.00 0.00 61.00 62.39 1wuq s PRO 125 Cb -0.18 -1.85 0.25 0.00 0.04 0.00 0.00 34.50 32.76 1wuq s PRO 125 CO -0.07 -1.89 0.64 -3.47 0.04 0.00 0.00 177.00 172.24 1wuq n ASP 126 N -3.58 1.96 0.00 6.66 2.03 -1.26 -4.29 116.55 118.07 1wuq n ASP 126 Ca 0.10 -3.07 0.00 0.00 0.52 0.00 0.00 54.79 52.34 1wuq n ASP 126 Cb 0.52 -0.65 0.00 0.00 -0.72 0.00 0.00 41.12 40.27 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 1.10 2.87 2.95 0.27 0.00 -1.26 -4.89 105.19 106.23 1wuq n GLY 127 Ca 0.25 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.49 0.89 0.15 1.61 1.02 -1.26 -1.17 119.74 120.49 1wuq s LYS 128 Ca 0.00 -0.21 0.10 0.00 0.02 0.00 0.00 55.97 55.88 1wuq s LYS 128 Cb 0.00 -0.85 -0.04 0.00 -0.52 0.00 0.00 37.83 36.42 1wuq s LYS 128 CO 0.00 0.02 -0.20 0.96 -0.92 0.00 0.00 175.35 175.21 1wuq s ILE 129 N 0.51 2.66 0.02 2.17 -4.36 0.53 -4.68 121.20 118.05 1wuq s ILE 129 Ca -0.07 -1.72 -0.01 0.00 -0.26 0.00 0.00 60.65 58.58 1wuq s ILE 129 Cb -0.11 -2.25 -0.04 0.00 1.25 0.00 0.00 42.46 41.31 1wuq s ILE 129 CO 0.01 0.00 0.17 -0.22 0.24 0.00 0.00 174.94 175.14 1wuq s LEU 130 N -2.39 4.26 0.22 0.37 2.96 -1.26 -0.35 118.68 122.49 1wuq s LEU 130 Ca 0.19 0.27 -0.32 0.00 -0.22 0.00 0.00 54.13 54.05 1wuq s LEU 130 Cb -0.09 -2.66 -0.12 0.00 0.50 0.00 0.00 46.19 43.82 1wuq s LEU 130 CO 0.10 0.23 1.69 -0.83 -1.32 0.00 0.00 176.35 176.22 1wuq s GLY 131 N -2.11 1.38 0.25 7.98 0.00 -0.17 -4.88 107.32 109.78 1wuq s GLY 131 Ca 0.29 1.57 -0.05 0.00 0.00 0.00 0.00 44.72 46.53 1wuq s GLY 131 CO 0.21 2.80 1.66 1.41 0.00 0.00 0.00 173.10 179.18 1wuq h LEU 132 N 6.49 -0.14 -1.99 0.66 3.38 -1.97 -1.21 115.31 120.53 1wuq h LEU 132 Ca -0.44 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1wuq h LEU 132 Cb 1.20 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.22 1wuq h LEU 132 CO 0.93 -0.12 -0.10 0.77 0.09 0.00 0.00 178.44 180.02 1wuq h SER 133 N 0.19 0.00 0.26 -0.43 4.64 -2.00 -2.43 113.55 113.77 1wuq h SER 133 Ca 0.43 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.72 1wuq h SER 133 Cb 0.77 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1wuq h SER 133 CO -0.59 0.10 -0.16 0.11 -0.87 0.00 0.00 176.83 175.41 1wuq h LYS 134 N 0.00 0.00 -0.56 4.77 1.79 -1.56 -0.89 116.57 120.12 1wuq h LYS 134 Ca -0.00 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 1wuq h LYS 134 Cb 0.30 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 1wuq h LYS 134 CO 0.01 0.16 0.19 0.74 -1.08 0.00 0.00 179.45 179.47 1wuq h PHE 135 N 0.00 0.88 -0.62 -1.35 0.04 -1.53 0.37 116.94 114.74 1wuq h PHE 135 Ca -0.00 -0.08 -0.06 0.00 2.80 0.00 0.00 57.97 60.63 1wuq h PHE 135 Cb 0.33 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 38.20 1wuq h PHE 135 CO 0.00 0.74 0.16 0.00 -0.60 0.00 0.00 178.31 178.61 1wuq h ALA 136 N 1.05 0.82 -0.50 2.45 0.00 -1.33 -0.38 119.26 121.36 1wuq h ALA 136 Ca 0.18 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1wuq h ALA 136 Cb 0.26 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1wuq h ALA 136 CO -0.01 0.52 0.05 0.00 0.00 0.00 0.00 179.25 179.81 1wuq h ARG 137 N 0.90 0.81 -0.36 0.00 3.08 -0.89 -1.32 114.38 116.60 1wuq h ARG 137 Ca 0.20 -0.20 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 1wuq h ARG 137 Cb 0.34 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1wuq h ARG 137 CO 0.00 0.78 -0.30 0.82 -1.07 0.00 0.00 179.97 180.20 1wuq h ILE 138 N 0.76 1.28 -0.13 2.04 2.04 -0.59 -1.60 117.51 121.32 1wuq h ILE 138 Ca 0.16 -1.46 0.02 0.00 1.00 0.00 0.00 64.86 64.58 1wuq h ILE 138 Cb 0.40 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1wuq h ILE 138 CO 0.01 0.48 -0.02 0.58 0.00 0.00 0.00 178.15 179.20 1wuq h VAL 139 N 0.64 0.88 -0.63 1.67 2.07 -0.79 -2.75 116.25 117.34 1wuq h VAL 139 Ca 0.07 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 1wuq h VAL 139 Cb 0.88 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1wuq h VAL 139 CO 0.08 0.00 0.24 0.44 0.02 0.00 0.00 177.57 178.35 1wuq h ASP 140 N 0.02 0.86 -1.01 0.57 3.32 -1.17 0.74 116.42 119.75 1wuq h ASP 140 Ca 0.06 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.03 1wuq h ASP 140 Cb 0.09 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.36 1wuq h ASP 140 CO -0.13 0.78 0.66 -0.03 -1.72 0.00 0.00 179.24 178.80 1wuq h MET 141 N 0.91 1.23 0.00 3.56 4.05 -1.01 -0.79 114.93 122.89 1wuq h MET 141 Ca 0.21 -0.07 -0.09 0.00 -0.28 0.00 0.00 59.70 59.47 1wuq h MET 141 Cb 0.20 -0.28 -0.02 0.00 -0.80 0.00 0.00 31.60 30.71 1wuq h MET 141 CO -0.02 0.82 -1.29 1.19 0.23 0.00 0.00 176.91 177.84 1wuq n PHE 142 N -4.44 0.90 0.07 1.39 3.72 -1.04 -4.15 117.46 113.90 1wuq n PHE 142 Ca 0.14 0.28 -0.14 0.00 -0.05 0.00 0.00 57.45 57.68 1wuq n PHE 142 Cb 0.10 -1.00 -0.06 0.00 -0.94 0.00 0.00 39.48 37.58 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 1.71 0.32 -0.28 4.37 0.00 -0.63 -3.36 119.26 121.38 1wuq h ALA 143 Ca -0.09 -0.72 -0.71 0.00 0.00 0.00 0.00 54.91 53.39 1wuq h ALA 143 Cb 1.30 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 1wuq h ALA 143 CO 0.02 0.82 3.06 0.54 0.00 0.00 0.00 179.25 183.69 1wuq n ARG 144 N -3.74 3.64 -3.85 0.00 1.74 -0.32 -4.21 116.66 109.91 1wuq n ARG 144 Ca -0.07 -2.79 -0.10 0.00 -0.77 0.00 0.00 57.85 54.12 1wuq n ARG 144 Cb 0.86 -2.92 0.01 0.00 -1.02 0.00 0.00 32.46 29.39 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 1.48 2.20 -0.06 5.56 0.52 -1.11 -1.47 118.95 126.06 1wuq s ARG 145 Ca 0.55 -1.50 -0.21 0.00 -0.52 0.00 0.00 55.73 54.05 1wuq s ARG 145 Cb 0.16 0.60 -0.04 0.00 0.52 0.00 0.00 34.95 36.18 1wuq s ARG 145 CO -0.06 -1.01 0.61 -0.51 0.02 0.00 0.00 175.30 174.35 1wuq s LEU 146 N -3.10 4.33 0.26 2.53 1.43 -1.26 -3.50 118.68 119.37 1wuq s LEU 146 Ca 0.18 1.08 -0.02 0.00 -1.03 0.00 0.00 54.13 54.34 1wuq s LEU 146 Cb -0.04 -2.94 -0.02 0.00 0.03 0.00 0.00 46.19 43.21 1wuq s LEU 146 CO 0.13 -0.03 0.28 -1.10 0.23 0.00 0.00 176.35 175.86 1wuq s GLN 147 N 0.51 1.50 -0.04 1.70 -1.52 0.55 -4.72 119.66 117.64 1wuq s GLN 147 Ca 0.33 -1.66 0.04 0.00 -1.95 0.00 0.00 55.36 52.13 1wuq s GLN 147 Cb -0.17 0.35 -0.00 0.00 -0.22 0.00 0.00 33.01 32.96 1wuq s GLN 147 CO 0.16 -0.56 -0.17 0.14 -0.25 0.00 0.00 175.29 174.61 1wuq s VAL 148 N -3.80 1.44 0.45 1.09 -7.23 -1.26 -1.24 120.40 109.84 1wuq s VAL 148 Ca 0.35 -0.73 0.14 0.00 -1.81 0.00 0.00 61.98 59.93 1wuq s VAL 148 Cb 0.03 -1.23 0.32 0.00 0.56 0.00 0.00 36.38 36.06 1wuq s VAL 148 CO 0.16 0.41 2.02 -0.61 -0.31 0.00 0.00 175.10 176.77 1wuq h GLN 149 N 6.17 0.33 -0.76 4.82 4.15 -2.00 -1.85 115.11 125.96 1wuq h GLN 149 Ca -0.33 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.03 1wuq h GLN 149 Cb 1.17 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.75 1wuq h GLN 149 CO 0.48 0.22 0.34 0.93 -1.93 0.00 0.00 178.83 178.86 1wuq h GLU 150 N 0.33 1.10 -0.14 1.69 3.07 -1.97 -2.86 114.58 115.81 1wuq h GLU 150 Ca 0.22 -0.17 -0.22 0.00 -0.50 0.00 0.00 59.36 58.69 1wuq h GLU 150 Cb 0.43 -0.19 0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1wuq h GLU 150 CO -0.05 0.87 -0.78 -0.09 -1.40 0.00 0.00 179.01 177.56 1wuq h ARG 151 N 1.09 0.78 -0.48 2.33 2.43 -1.78 -3.14 114.38 115.61 1wuq h ARG 151 Ca 0.26 -0.65 0.08 0.00 -0.81 0.00 0.00 59.98 58.86 1wuq h ARG 151 Cb 0.15 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 29.77 1wuq h ARG 151 CO -0.03 1.25 0.11 1.25 -1.51 0.00 0.00 179.97 181.05 1wuq h LEU 152 N 0.51 0.04 -0.51 3.80 5.85 -1.21 0.40 115.31 124.20 1wuq h LEU 152 Ca -0.06 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1wuq h LEU 152 Cb 1.41 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.52 1wuq h LEU 152 CO 0.16 0.05 0.26 0.00 -0.34 0.00 0.00 178.44 178.57 1wuq h ALA 153 N 1.36 0.66 -0.09 1.25 0.00 -1.57 -2.13 119.26 118.74 1wuq h ALA 153 Ca 0.24 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1wuq h ALA 153 Cb 0.30 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1wuq h ALA 153 CO -0.30 0.20 0.04 0.28 0.00 0.00 0.00 179.25 179.47 1wuq h VAL 154 N 0.68 1.14 -0.52 0.00 2.07 -1.35 -2.18 116.25 116.09 1wuq h VAL 154 Ca 0.18 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1wuq h VAL 154 Cb 0.09 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1wuq h VAL 154 CO -0.03 0.12 0.19 1.56 0.02 0.00 0.00 177.57 179.43 1wuq h GLN 155 N -0.01 0.75 -0.21 1.57 4.20 -0.85 -0.50 115.11 120.06 1wuq h GLN 155 Ca 0.03 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 1wuq h GLN 155 Cb 0.16 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1wuq h GLN 155 CO -0.00 0.63 0.01 0.82 -0.67 0.00 0.00 178.83 179.62 1wuq h ILE 156 N 0.74 1.25 -0.64 2.54 2.04 -1.29 -1.09 117.51 121.06 1wuq h ILE 156 Ca 0.18 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 1wuq h ILE 156 Cb 0.18 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 1wuq h ILE 156 CO -0.01 0.26 0.36 0.00 0.00 0.00 0.00 178.15 178.76 1wuq h ALA 157 N 0.80 0.82 -0.27 1.87 0.00 -1.02 -1.92 119.26 119.54 1wuq h ALA 157 Ca 0.06 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1wuq h ALA 157 Cb 0.38 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1wuq h ALA 157 CO 0.01 0.33 -0.30 0.93 0.00 0.00 0.00 179.25 180.22 1wuq h GLU 158 N 0.87 0.55 -0.29 0.00 5.08 -1.05 -1.39 114.58 118.36 1wuq h GLU 158 Ca 0.23 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1wuq h GLU 158 Cb 0.03 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1wuq h GLU 158 CO -0.04 0.79 0.10 0.00 -1.00 0.00 0.00 179.01 178.87 1wuq h ALA 159 N 1.20 0.37 -0.37 3.43 0.00 -0.84 -0.61 119.26 122.44 1wuq h ALA 159 Ca 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1wuq h ALA 159 Cb 0.76 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1wuq h ALA 159 CO 0.06 -0.01 0.18 0.82 0.00 0.00 0.00 179.25 180.30 1wuq h ILE 160 N 0.31 1.16 -0.35 0.00 2.04 -1.20 -1.80 117.51 117.67 1wuq h ILE 160 Ca 0.09 -0.46 0.06 0.00 1.00 0.00 0.00 64.86 65.55 1wuq h ILE 160 Cb 0.21 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 1wuq h ILE 160 CO -0.01 0.17 -0.01 -0.61 0.00 0.00 0.00 178.15 177.70 1wuq h GLN 161 N 0.47 0.09 -0.64 2.37 5.75 -1.06 0.50 115.11 122.59 1wuq h GLN 161 Ca 0.13 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 1wuq h GLN 161 Cb 0.11 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 1wuq h GLN 161 CO -0.02 0.06 0.40 1.49 -2.65 0.00 0.00 178.83 178.11 1wuq h GLU 162 N 0.09 0.85 -0.16 1.69 4.81 -0.85 0.38 114.58 121.39 1wuq h GLU 162 Ca 0.17 -0.06 -0.21 0.00 -0.13 0.00 0.00 59.36 59.12 1wuq h GLU 162 Cb 0.24 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.44 1wuq h GLU 162 CO -0.29 0.59 -0.75 0.28 -0.73 0.00 0.00 179.01 178.11 1wuq h VAL 163 N 0.86 1.29 0.00 0.32 2.07 -0.74 -3.38 116.25 116.67 1wuq h VAL 163 Ca 0.23 -1.97 -0.03 0.00 0.82 0.00 0.00 66.70 65.75 1wuq h VAL 163 Cb -0.06 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1wuq h VAL 163 CO -0.05 0.62 -1.67 0.18 0.02 0.00 0.00 177.57 176.68 1wuq n LEU 164 N -3.93 0.00 -3.88 2.57 4.77 0.11 -5.01 117.00 111.64 1wuq n LEU 164 Ca -0.07 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.60 1wuq n LEU 164 Cb 0.73 0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.87 1wuq n LEU 164 CO 0.52 0.04 -0.17 -0.62 -1.33 0.00 0.00 177.39 175.83 1wuq n GLU 165 N -2.04 -1.88 -1.86 3.23 1.02 0.13 -4.70 120.64 114.55 1wuq n GLU 165 Ca -0.05 0.36 -0.29 0.00 -0.02 0.00 0.00 57.16 57.16 1wuq n GLU 165 Cb 0.43 -4.02 0.13 0.00 -0.02 0.00 0.00 31.44 27.97 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 -6.49 1.32 0.47 3.49 0.04 -1.26 -4.49 135.00 128.08 1wuq s PRO 166 Ca 0.27 -0.07 0.19 0.00 0.04 0.00 0.00 61.00 61.43 1wuq s PRO 166 Cb -0.11 -1.89 1.13 0.00 0.04 0.00 0.00 34.50 33.67 1wuq s PRO 166 CO 0.90 -2.01 2.00 1.96 0.04 0.00 0.00 177.00 179.89 1wuq h GLN 167 N -1.35 0.00 -1.09 4.56 4.20 -0.97 -3.46 115.11 117.01 1wuq h GLN 167 Ca -0.46 0.00 0.33 0.00 0.06 0.00 0.00 58.65 58.58 1wuq h GLN 167 Cb 1.29 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 28.88 1wuq h GLN 167 CO 0.55 0.18 0.97 0.20 -0.67 0.00 0.00 178.83 180.05 1wuq s GLY 168 N -4.20 -0.24 -0.07 3.46 0.00 -1.21 -0.80 107.32 104.25 1wuq s GLY 168 Ca -0.03 1.77 -0.12 0.00 0.00 0.00 0.00 44.72 46.34 1wuq s GLY 168 CO 0.66 0.57 0.29 0.54 0.00 0.00 0.00 173.10 175.16 1wuq s VAL 169 N -2.08 0.03 -0.01 1.40 0.11 -0.76 -2.06 120.40 117.03 1wuq s VAL 169 Ca 0.12 -0.24 0.03 0.00 -2.93 0.00 0.00 61.98 58.96 1wuq s VAL 169 Cb 0.00 -0.49 -0.01 0.00 -1.53 0.00 0.00 36.38 34.35 1wuq s VAL 169 CO -0.03 -0.13 -0.08 -0.83 -3.33 0.00 0.00 175.10 170.70 1wuq s GLY 170 N -0.52 0.42 -0.03 6.54 0.00 0.21 -0.76 107.32 113.19 1wuq s GLY 170 Ca -0.06 -0.35 0.02 0.00 0.00 0.00 0.00 44.72 44.33 1wuq s GLY 170 CO 0.02 -0.27 -0.09 0.14 0.00 0.00 0.00 173.10 172.90 1wuq s VAL 171 N -0.15 0.78 -0.10 1.40 1.01 0.11 -0.46 120.40 122.99 1wuq s VAL 171 Ca 0.02 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1wuq s VAL 171 Cb -0.04 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.65 1wuq s VAL 171 CO -0.00 0.25 -0.13 -0.69 0.00 0.00 0.00 175.10 174.53 1wuq s VAL 172 N 0.32 1.33 -0.13 2.92 1.01 -0.21 -1.06 120.40 124.57 1wuq s VAL 172 Ca -0.05 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1wuq s VAL 172 Cb -0.10 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 1wuq s VAL 172 CO 0.01 0.41 -0.14 -0.69 0.00 0.00 0.00 175.10 174.68 1wuq s VAL 173 N 1.08 2.93 -0.14 2.92 1.01 0.55 -0.64 120.40 128.12 1wuq s VAL 173 Ca -0.05 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1wuq s VAL 173 Cb -0.15 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 34.03 1wuq s VAL 173 CO -0.02 0.53 -0.14 -0.70 0.00 0.00 0.00 175.10 174.76 1wuq s GLU 174 N 0.39 2.26 0.11 2.72 2.12 -0.48 -1.03 118.70 124.79 1wuq s GLU 174 Ca -0.11 -0.55 -0.09 0.00 0.36 0.00 0.00 54.97 54.58 1wuq s GLU 174 Cb -0.16 -2.04 -0.00 0.00 0.26 0.00 0.00 34.13 32.18 1wuq s GLU 174 CO 0.06 -0.20 0.21 0.20 -0.54 0.00 0.00 175.26 174.99 1wuq s GLY 175 N 1.38 0.22 -0.02 -1.50 0.00 -0.42 -1.14 107.32 105.85 1wuq s GLY 175 Ca 0.02 -0.71 0.01 0.00 0.00 0.00 0.00 44.72 44.03 1wuq s GLY 175 CO -0.09 -0.83 0.02 -1.34 0.00 0.00 0.00 173.10 170.86 1wuq s VAL 176 N -3.89 4.30 -0.24 1.40 -7.23 0.12 -1.21 120.40 113.64 1wuq s VAL 176 Ca 0.09 -0.50 -0.01 0.00 -1.81 0.00 0.00 61.98 59.74 1wuq s VAL 176 Cb 0.05 -2.91 0.03 0.00 0.56 0.00 0.00 36.38 34.10 1wuq s VAL 176 CO -0.08 0.41 -0.07 -1.00 -0.31 0.00 0.00 175.10 174.05 1wuq s HIS 177 N -1.07 3.06 0.50 2.82 3.76 -1.26 -1.21 115.29 121.88 1wuq s HIS 177 Ca 0.19 -1.60 0.27 0.00 -0.15 0.00 0.00 55.06 53.77 1wuq s HIS 177 Cb -0.12 -2.04 1.56 0.00 1.11 0.00 0.00 32.58 33.10 1wuq s HIS 177 CO 0.10 -0.74 2.15 -0.07 -0.85 0.00 0.00 174.74 175.33 1wuq h LEU 178 N 7.99 0.00 -0.14 0.89 3.38 -1.72 -1.37 115.31 124.35 1wuq h LEU 178 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1wuq h LEU 178 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1wuq h LEU 178 CO 0.57 0.07 0.00 0.00 0.09 0.00 0.00 178.44 179.17 1wuq n MET 180 N -1.65 0.80 -0.11 0.00 2.81 -0.55 -4.34 117.12 114.09 1wuq n MET 180 Ca 0.03 -0.11 -0.19 0.00 -1.81 0.00 0.00 57.70 55.62 1wuq n MET 180 Cb 0.18 -1.35 -0.09 0.00 -0.71 0.00 0.00 33.22 31.25 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 -1.90 0.52 0.18 0.03 2.00 -0.62 -0.93 117.12 116.41 1wuq n MET 181 Ca -0.02 0.17 0.08 0.00 0.00 0.00 0.00 57.70 57.93 1wuq n MET 181 Cb 0.38 -1.39 0.12 0.00 0.00 0.00 0.00 33.22 32.33 1wuq n MET 181 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 1wuq h MET 182 N -0.36 0.00 0.00 0.03 2.86 -0.40 -3.42 114.93 113.64 1wuq h MET 182 Ca -0.53 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.07 1wuq h MET 182 Cb 1.65 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.31 1wuq h MET 182 CO -0.20 0.24 0.00 2.89 1.06 0.00 0.00 176.91 180.90 1wuq n ARG 183 N -3.17 0.18 0.00 1.72 1.85 -1.25 -4.99 116.66 111.00 1wuq n ARG 183 Ca 0.03 -0.54 0.00 0.00 -1.00 0.00 0.00 57.85 56.34 1wuq n ARG 183 Cb 0.62 0.57 0.00 0.00 -1.05 0.00 0.00 32.46 32.60 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 -0.12 3.89 0.30 2.89 0.00 -1.26 -1.67 105.19 109.23 1wuq n GLY 184 Ca -0.01 0.03 0.19 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.45 1.61 -1.51 -1.84 -3.46 116.25 106.76 1wuq h VAL 185 Ca 0.00 -0.25 -0.33 0.00 -1.23 0.00 0.00 66.70 64.89 1wuq h VAL 185 Cb 0.00 1.20 -0.02 0.00 -2.13 0.00 0.00 31.29 30.34 1wuq h VAL 185 CO 0.00 0.03 -0.47 -0.62 -1.23 0.00 0.00 177.57 175.28 1wuq n GLU 186 N -3.26 -3.07 -2.32 5.19 1.02 -0.67 -4.94 120.64 112.59 1wuq n GLU 186 Ca -0.02 0.64 -0.40 0.00 -0.02 0.00 0.00 57.16 57.36 1wuq n GLU 186 Cb 0.17 -5.33 -0.03 0.00 -0.02 0.00 0.00 31.44 26.23 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 -5.49 4.51 -0.16 3.49 -0.14 -0.10 -4.85 119.74 117.00 1wuq s LYS 187 Ca 0.19 1.98 0.11 0.00 -1.36 0.00 0.00 55.97 56.89 1wuq s LYS 187 Cb -0.10 -3.13 -0.18 0.00 -1.68 0.00 0.00 37.83 32.74 1wuq s LYS 187 CO 0.24 0.04 0.01 1.04 -0.76 0.00 0.00 175.35 175.91 1wuq n GLN 188 N 1.01 1.26 0.00 1.68 1.13 -1.26 -4.02 117.38 117.17 1wuq n GLN 188 Ca -0.01 0.02 0.13 0.00 -1.94 0.00 0.00 57.00 55.20 1wuq n GLN 188 Cb 0.43 -1.40 0.37 0.00 0.11 0.00 0.00 30.24 29.75 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 -2.68 0.00 -2.87 1.08 8.25 -1.26 -4.98 115.22 112.76 1wuq n HIS 189 Ca -0.27 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 56.83 1wuq n HIS 189 Cb 0.98 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 32.02 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 -2.05 7.12 -0.02 0.41 0.15 -1.26 -5.08 113.70 112.97 1wuq s SER 190 Ca 0.33 1.69 -0.09 0.00 0.70 0.00 0.00 55.95 58.58 1wuq s SER 190 Cb 0.20 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 62.00 1wuq s SER 190 CO 0.35 -0.16 0.19 0.00 1.20 0.00 0.00 173.24 174.81 1wuq s ARG 191 N -2.50 0.48 -0.07 5.44 1.70 -1.26 -4.75 118.95 117.99 1wuq s ARG 191 Ca 0.54 -0.23 0.03 0.00 -0.47 0.00 0.00 55.73 55.59 1wuq s ARG 191 Cb -0.14 0.21 -0.02 0.00 -0.57 0.00 0.00 34.95 34.42 1wuq s ARG 191 CO 0.19 -0.11 -0.16 0.99 -1.08 0.00 0.00 175.30 175.13 1wuq s THR 192 N -1.11 2.91 -0.13 4.99 2.01 -0.35 -4.95 115.64 119.01 1wuq s THR 192 Ca -0.12 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.13 1wuq s THR 192 Cb -0.06 -2.15 -0.01 0.00 0.01 0.00 0.00 72.50 70.30 1wuq s THR 192 CO 0.02 0.57 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.66 1wuq s VAL 193 N -0.40 2.59 0.16 3.82 1.01 -1.26 -1.30 120.40 125.02 1wuq s VAL 193 Ca 0.04 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.27 1wuq s VAL 193 Cb -0.12 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1wuq s VAL 193 CO 0.02 0.53 -0.13 0.42 0.00 0.00 0.00 175.10 175.94 1wuq s THR 194 N 0.48 1.43 0.25 3.92 -4.23 -0.19 -4.99 115.64 112.32 1wuq s THR 194 Ca -0.12 -1.99 -0.15 0.00 -1.18 0.00 0.00 61.69 58.25 1wuq s THR 194 Cb -0.16 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 71.88 1wuq s THR 194 CO 0.05 -0.57 0.54 -0.94 -0.54 0.00 0.00 174.62 173.16 1wuq s SER 195 N -2.95 -0.14 -0.14 3.99 1.04 -1.26 -0.33 113.70 113.91 1wuq s SER 195 Ca 0.16 -0.83 -0.07 0.00 0.48 0.00 0.00 55.95 55.69 1wuq s SER 195 Cb -0.01 0.62 0.05 0.00 0.10 0.00 0.00 66.02 66.78 1wuq s SER 195 CO 0.04 -1.18 0.33 0.00 0.98 0.00 0.00 173.24 173.40 1wuq s ALA 196 N -3.99 -0.81 -0.09 5.32 0.00 -0.22 -4.70 121.76 117.28 1wuq s ALA 196 Ca 0.19 1.26 0.02 0.00 0.00 0.00 0.00 51.96 53.43 1wuq s ALA 196 Cb -0.02 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.30 1wuq s ALA 196 CO 0.08 -0.27 -0.16 -1.64 0.00 0.00 0.00 175.76 173.77 1wuq s MET 197 N 1.43 2.18 0.10 0.00 -1.94 -1.26 -0.71 119.30 119.09 1wuq s MET 197 Ca -0.09 -0.56 0.06 0.00 -1.71 0.00 0.00 55.69 53.39 1wuq s MET 197 Cb -0.10 -1.79 -0.03 0.00 2.01 0.00 0.00 34.83 34.92 1wuq s MET 197 CO -0.11 0.01 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.25 1wuq s LEU 198 N 0.76 2.33 0.00 -0.03 1.43 0.06 -4.39 118.68 118.85 1wuq s LEU 198 Ca -0.12 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.28 1wuq s LEU 198 Cb -0.16 -0.63 0.00 0.00 0.03 0.00 0.00 46.19 45.44 1wuq s LEU 198 CO 0.02 -0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.14 1wuq n GLY 199 N 0.94 3.32 0.31 -3.19 0.00 -1.26 -1.82 105.19 103.48 1wuq n GLY 199 Ca -0.18 -0.21 0.17 0.00 0.00 0.00 0.00 46.02 45.80 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 0.36 0.00 1.61 -1.51 -1.31 0.11 116.25 115.52 1wuq h VAL 200 Ca 0.00 -0.03 -0.09 0.00 -1.23 0.00 0.00 66.70 65.34 1wuq h VAL 200 Cb 0.00 1.02 -0.01 0.00 -2.13 0.00 0.00 31.29 30.17 1wuq h VAL 200 CO 0.00 0.01 -0.45 -0.26 -1.23 0.00 0.00 177.57 175.64 1wuq h PHE 201 N 0.00 0.00 0.11 5.19 0.04 -1.70 0.17 116.94 120.75 1wuq h PHE 201 Ca -0.00 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.42 1wuq h PHE 201 Cb 0.02 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 1wuq h PHE 201 CO 0.00 0.45 -1.94 -2.13 -0.60 0.00 0.00 178.31 174.09 1wuq n ARG 202 N -3.66 0.74 0.09 1.51 0.63 -0.04 -4.39 116.66 111.55 1wuq n ARG 202 Ca -0.01 0.29 -0.03 0.00 -0.92 0.00 0.00 57.85 57.18 1wuq n ARG 202 Cb 0.53 -1.71 -0.06 0.00 0.45 0.00 0.00 32.46 31.67 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 0.00 -4.66 -0.14 4.39 -0.89 -3.43 114.58 109.83 1wuq h GLU 203 Ca -0.42 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 58.59 1wuq h GLU 203 Cb 1.97 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 30.32 1wuq h GLU 203 CO 0.06 0.74 -0.61 1.21 -1.16 0.00 0.00 179.01 179.25 1wuq s ASN 204 N -6.53 5.22 0.21 1.42 3.84 0.58 -4.99 114.94 114.69 1wuq s ASN 204 Ca 0.02 -1.31 -0.09 0.00 0.21 0.00 0.00 52.86 51.69 1wuq s ASN 204 Cb 0.09 -1.83 0.30 0.00 -0.55 0.00 0.00 41.25 39.25 1wuq s ASN 204 CO 0.79 -0.35 1.75 -0.61 -2.79 0.00 0.00 177.10 175.89 1wuq h GLN 205 N 8.16 0.44 -0.58 0.43 5.75 -1.84 -2.15 115.11 125.32 1wuq h GLN 205 Ca -0.21 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.19 1wuq h GLN 205 Cb 1.07 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.50 1wuq h GLN 205 CO 0.61 0.29 0.07 0.87 -2.65 0.00 0.00 178.83 178.02 1wuq h LYS 206 N 0.45 0.95 0.06 1.69 1.79 -1.94 -1.04 116.57 118.54 1wuq h LYS 206 Ca 0.32 -0.24 -0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1wuq h LYS 206 Cb 0.38 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1wuq h LYS 206 CO -0.30 0.89 -0.03 1.15 -1.08 0.00 0.00 179.45 180.08 1wuq h THR 207 N 0.89 1.02 -0.73 -0.16 2.02 -1.70 0.52 112.91 114.76 1wuq h THR 207 Ca 0.18 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1wuq h THR 207 Cb 0.43 1.21 -0.04 0.00 -1.74 0.00 0.00 68.15 68.01 1wuq h THR 207 CO 0.01 0.07 0.47 -0.09 0.37 0.00 0.00 175.52 176.36 1wuq h ARG 208 N -0.21 0.97 -0.73 6.66 2.43 -1.31 -1.20 114.38 120.97 1wuq h ARG 208 Ca -0.01 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 1wuq h ARG 208 Cb 0.18 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1wuq h ARG 208 CO 0.01 0.65 0.34 1.49 -1.51 0.00 0.00 179.97 180.96 1wuq h GLU 209 N 0.99 1.07 -0.69 0.20 4.81 -1.02 -0.17 114.58 119.76 1wuq h GLU 209 Ca 0.27 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1wuq h GLU 209 Cb -0.10 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.07 1wuq h GLU 209 CO -0.06 0.85 0.30 1.49 -0.73 0.00 0.00 179.01 180.86 1wuq h GLU 210 N 1.04 1.02 -0.10 1.92 4.81 -0.37 -0.02 114.58 122.87 1wuq h GLU 210 Ca 0.25 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1wuq h GLU 210 Cb 0.14 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 1wuq h GLU 210 CO -0.03 0.83 0.03 0.35 -0.73 0.00 0.00 179.01 179.46 1wuq h PHE 211 N 0.98 0.16 -0.41 0.92 -0.00 -0.76 -2.48 116.94 115.34 1wuq h PHE 211 Ca 0.23 -0.02 -0.04 0.00 -0.00 0.00 0.00 57.97 58.14 1wuq h PHE 211 Cb 0.18 -0.05 -0.02 0.00 -0.00 0.00 0.00 35.95 36.06 1wuq h PHE 211 CO 0.01 0.32 0.08 -0.07 -0.00 0.00 0.00 178.31 178.66 1wuq h LEU 212 N -0.04 0.57 -1.07 0.59 3.38 -0.83 -2.41 115.31 115.50 1wuq h LEU 212 Ca 0.03 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1wuq h LEU 212 Cb 0.24 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1wuq h LEU 212 CO -0.00 0.59 0.02 0.28 0.09 0.00 0.00 178.44 179.42 1wuq h SER 213 N 0.60 0.65 0.19 -0.43 0.02 -0.86 -1.97 113.55 111.76 1wuq h SER 213 Ca 0.14 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1wuq h SER 213 Cb 0.26 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 1wuq h SER 213 CO -0.00 0.70 -0.12 0.45 -1.14 0.00 0.00 176.83 176.72 1wuq h HIS 214 N 0.65 0.00 0.00 3.45 3.86 -0.96 -2.30 115.15 119.85 1wuq h HIS 214 Ca 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1wuq h HIS 214 Cb 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1wuq h HIS 214 CO 0.02 0.12 0.00 -0.07 0.86 0.00 0.00 177.93 178.86 1wuq h LEU 215 N 0.00 0.00 -0.88 2.43 3.38 -1.29 -3.52 115.31 115.43 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 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1wuq h LEU 215 CO 0.02 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.09