#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wm9 s VAL 33 N 0.00 2.29 -0.81 3.84 1.01 -1.26 -4.89 120.40 120.57 1wm9 s VAL 33 Ca 0.00 0.23 -0.25 0.00 0.00 0.00 0.00 61.98 61.96 1wm9 s VAL 33 Cb 0.00 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 1wm9 s VAL 33 CO 0.00 0.03 1.74 -0.62 0.00 0.00 0.00 175.10 176.26 1wm9 s ASP 34 N 0.63 5.56 0.27 3.32 2.15 -1.26 -4.83 116.67 122.50 1wm9 s ASP 34 Ca 0.64 -0.47 -0.04 0.00 0.43 0.00 0.00 52.55 53.12 1wm9 s ASP 34 Cb -0.46 -2.55 0.34 0.00 -0.30 0.00 0.00 42.92 39.95 1wm9 s ASP 34 CO 0.43 -2.30 1.87 -0.07 -0.17 0.00 0.00 175.17 174.93 1wm9 h LEU 35 N 15.89 0.96 -0.60 -1.34 3.38 -1.94 -2.54 115.31 129.13 1wm9 h LEU 35 Ca -0.04 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1wm9 h LEU 35 Cb 1.06 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1wm9 h LEU 35 CO 1.26 0.80 0.22 -0.33 0.09 0.00 0.00 178.44 180.48 1wm9 h GLU 36 N 1.06 0.90 -0.42 1.13 4.39 -2.00 -1.14 114.58 118.50 1wm9 h GLU 36 Ca 0.26 -0.17 -0.09 0.00 0.34 0.00 0.00 59.36 59.70 1wm9 h GLU 36 Cb 0.08 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1wm9 h GLU 36 CO -0.04 0.78 -0.09 -0.09 -1.16 0.00 0.00 179.01 178.42 1wm9 h ARG 37 N 0.83 0.74 -0.47 2.33 2.43 -1.92 -2.25 114.38 116.06 1wm9 h ARG 37 Ca 0.20 -0.23 -0.12 0.00 -0.81 0.00 0.00 59.98 59.01 1wm9 h ARG 37 Cb 0.23 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1wm9 h ARG 37 CO -0.01 0.81 -0.19 -0.07 -1.51 0.00 0.00 179.97 178.99 1wm9 h LEU 38 N 0.68 0.99 -0.69 3.80 3.38 -1.14 -1.44 115.31 120.89 1wm9 h LEU 38 Ca 0.12 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1wm9 h LEU 38 Cb 0.54 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1wm9 h LEU 38 CO 0.03 1.16 0.44 1.56 0.09 0.00 0.00 178.44 181.72 1wm9 h GLN 39 N 0.82 0.92 0.17 1.13 4.20 -0.98 0.10 115.11 121.46 1wm9 h GLN 39 Ca 0.11 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1wm9 h GLN 39 Cb 0.76 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1wm9 h GLN 39 CO 0.06 0.62 -0.08 0.00 -0.67 0.00 0.00 178.83 178.76 1wm9 h ALA 40 N 1.24 -0.23 -0.93 3.87 0.00 -1.22 0.61 119.26 122.60 1wm9 h ALA 40 Ca 0.25 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1wm9 h ALA 40 Cb -0.08 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1wm9 h ALA 40 CO -0.05 -0.59 0.62 -0.07 0.00 0.00 0.00 179.25 179.15 1wm9 h LEU 41 N -0.31 1.05 -0.77 0.00 3.38 -1.03 -1.67 115.31 115.97 1wm9 h LEU 41 Ca -0.02 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1wm9 h LEU 41 Cb 0.24 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1wm9 h LEU 41 CO 0.04 0.75 -0.13 0.00 0.09 0.00 0.00 178.44 179.19 1wm9 h ALA 42 N 1.35 0.95 -0.60 1.53 0.00 -0.57 -0.66 119.26 121.26 1wm9 h ALA 42 Ca 0.35 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1wm9 h ALA 42 Cb -0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1wm9 h ALA 42 CO -0.09 0.61 0.07 0.00 0.00 0.00 0.00 179.25 179.85 1wm9 h ALA 43 N 1.13 0.80 -0.04 0.00 0.00 -0.30 -2.10 119.26 118.76 1wm9 h ALA 43 Ca 0.12 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1wm9 h ALA 43 Cb 0.62 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1wm9 h ALA 43 CO 0.04 0.58 -0.56 1.49 0.00 0.00 0.00 179.25 180.80 1wm9 h GLU 44 N 0.92 0.12 -0.54 0.00 4.81 -1.13 -2.97 114.58 115.78 1wm9 h GLU 44 Ca 0.18 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1wm9 h GLU 44 Cb 0.46 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 1wm9 h GLU 44 CO 0.02 0.65 0.29 2.35 -0.73 0.00 0.00 179.01 181.59 1wm9 h TRP 45 N 0.09 0.75 -0.80 0.92 2.91 -0.71 -1.97 115.95 117.14 1wm9 h TRP 45 Ca -0.00 -0.02 -0.00 0.00 1.13 0.00 0.00 58.89 59.99 1wm9 h TRP 45 Cb 1.02 -0.24 -0.04 0.00 -0.51 0.00 0.00 29.16 29.39 1wm9 h TRP 45 CO 0.01 0.55 0.49 -0.07 -1.03 0.00 0.00 178.44 178.39 1wm9 h LEU 46 N 0.73 0.95 0.08 0.65 3.38 -1.24 -3.03 115.31 116.84 1wm9 h LEU 46 Ca 0.19 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1wm9 h LEU 46 Cb 0.06 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1wm9 h LEU 46 CO -0.03 0.73 -0.04 -0.61 0.09 0.00 0.00 178.44 178.58 1wm9 h GLN 47 N 1.10 -0.11 -0.89 1.13 4.15 -1.36 -2.51 115.11 116.63 1wm9 h GLN 47 Ca 0.29 0.01 0.19 0.00 0.77 0.00 0.00 58.65 59.90 1wm9 h GLN 47 Cb -0.06 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.59 1wm9 h GLN 47 CO -0.06 0.32 0.58 0.28 -1.93 0.00 0.00 178.83 178.02 1wm9 h VAL 48 N -0.57 0.72 -0.00 2.39 2.07 -1.29 0.48 116.25 120.05 1wm9 h VAL 48 Ca -0.01 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1wm9 h VAL 48 Cb 0.47 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1wm9 h VAL 48 CO 0.02 0.09 -0.02 2.30 0.02 0.00 0.00 177.57 179.98 1wm9 n ILE 49 N -4.53 0.00 -1.17 4.57 -5.35 -1.15 -4.92 119.36 106.82 1wm9 n ILE 49 Ca 0.19 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.64 1wm9 n ILE 49 Cb 0.63 -0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.14 1wm9 n ILE 49 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wm9 n GLY 50 N 1.14 0.72 3.04 3.28 0.00 0.16 -5.12 105.19 108.42 1wm9 n GLY 50 Ca 0.19 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 1wm9 n GLY 50 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wm9 s GLU 51 N -2.56 0.49 -0.50 1.61 2.56 -0.94 -5.05 118.70 114.30 1wm9 s GLU 51 Ca 0.00 -0.92 -0.21 0.00 0.00 0.00 0.00 54.97 53.84 1wm9 s GLU 51 Cb 0.00 0.10 0.04 0.00 2.00 0.00 0.00 34.13 36.27 1wm9 s GLU 51 CO 0.00 -0.06 0.74 0.34 -0.56 0.00 0.00 175.26 175.71 1wm9 s ASP 52 N -2.18 6.30 0.44 -1.70 2.15 -1.26 -4.14 116.67 116.28 1wm9 s ASP 52 Ca -0.04 -0.53 0.30 0.00 0.43 0.00 0.00 52.55 52.71 1wm9 s ASP 52 Cb -0.02 -2.35 1.41 0.00 -0.30 0.00 0.00 42.92 41.67 1wm9 s ASP 52 CO -0.05 -0.96 1.91 -0.65 -0.17 0.00 0.00 175.17 175.25 1wm9 h PRO 53 N 9.05 0.00 -0.01 4.34 0.11 -1.91 -1.90 132.00 141.69 1wm9 h PRO 53 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1wm9 h PRO 53 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1wm9 h PRO 53 CO 0.98 0.00 -0.25 0.41 -0.21 0.00 0.00 178.00 178.93 1wm9 n GLY 54 N -0.42 -0.76 3.75 -0.55 0.00 -1.26 -3.96 105.19 101.99 1wm9 n GLY 54 Ca 0.00 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 1wm9 n GLY 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1wm9 n ARG 55 N -0.82 2.12 -0.24 1.61 0.63 -0.72 -4.80 116.66 114.45 1wm9 n ARG 55 Ca 0.12 0.76 0.01 0.00 -0.92 0.00 0.00 57.85 57.82 1wm9 n ARG 55 Cb 0.33 -2.59 0.09 0.00 0.45 0.00 0.00 32.46 30.75 1wm9 n ARG 55 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1wm9 h GLU 56 N 2.13 0.02 -0.84 -0.14 4.57 -1.91 -1.46 114.58 116.94 1wm9 h GLU 56 Ca -0.50 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1wm9 h GLU 56 Cb 1.28 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 1wm9 h GLU 56 CO 0.60 0.01 0.00 0.41 -1.18 0.00 0.00 179.01 178.85 1wm9 n GLY 57 N -1.46 1.92 0.00 1.92 0.00 -1.26 -3.78 105.19 102.53 1wm9 n GLY 57 Ca 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1wm9 n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wm9 n LEU 58 N 0.20 0.02 -0.21 0.99 4.77 -0.59 -4.81 117.00 117.37 1wm9 n LEU 58 Ca 0.09 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1wm9 n LEU 58 Cb 0.55 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.75 1wm9 n LEU 58 CO 0.10 0.00 1.01 -0.07 -1.33 0.00 0.00 177.39 177.10 1wm9 h LEU 59 N 0.00 0.28 -1.65 2.23 3.38 -1.55 -1.63 115.31 116.37 1wm9 h LEU 59 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1wm9 h LEU 59 Cb 0.02 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1wm9 h LEU 59 CO 0.00 0.16 0.00 0.29 0.09 0.00 0.00 178.44 178.98 1wm9 n LYS 60 N -4.96 2.06 0.04 1.13 5.02 -1.26 -4.48 118.16 115.71 1wm9 n LYS 60 Ca 0.09 -1.63 -0.13 0.00 -2.02 0.00 0.00 58.31 54.63 1wm9 n LYS 60 Cb 0.28 -1.41 -0.08 0.00 -0.02 0.00 0.00 35.03 33.79 1wm9 n LYS 60 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1wm9 h THR 61 N 2.97 1.11 -0.78 -0.18 2.02 -1.60 -1.02 112.91 115.42 1wm9 h THR 61 Ca 0.00 -0.51 0.11 0.00 0.77 0.00 0.00 66.41 66.77 1wm9 h THR 61 Cb 0.66 1.45 -0.05 0.00 -1.74 0.00 0.00 68.15 68.47 1wm9 h THR 61 CO 0.00 0.13 0.51 -0.65 0.37 0.00 0.00 175.52 175.88 1wm9 h PRO 62 N -0.29 0.65 -0.17 6.66 0.11 -1.79 0.33 132.00 137.50 1wm9 h PRO 62 Ca -0.01 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.01 1wm9 h PRO 62 Cb 0.26 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.22 1wm9 h PRO 62 CO 0.01 0.43 -0.10 1.49 -0.21 0.00 0.00 178.00 179.62 1wm9 h GLU 63 N 0.67 0.37 -0.44 1.05 4.81 -1.82 -1.90 114.58 117.32 1wm9 h GLU 63 Ca 0.37 -0.17 -0.08 0.00 -0.13 0.00 0.00 59.36 59.35 1wm9 h GLU 63 Cb 0.52 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1wm9 h GLU 63 CO -0.14 0.69 -0.06 0.00 -0.73 0.00 0.00 179.01 178.77 1wm9 h ARG 64 N 0.04 0.75 -0.30 1.92 3.08 0.00 -2.56 114.38 117.31 1wm9 h ARG 64 Ca 0.04 -0.22 -0.13 0.00 0.07 0.00 0.00 59.98 59.73 1wm9 h ARG 64 Cb 0.59 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1wm9 h ARG 64 CO 0.03 0.80 -0.35 0.28 -1.07 0.00 0.00 179.97 179.66 1wm9 h VAL 65 N 0.69 1.29 0.36 2.04 2.07 -0.38 -1.74 116.25 120.58 1wm9 h VAL 65 Ca 0.13 -1.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.14 1wm9 h VAL 65 Cb 0.51 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1wm9 h VAL 65 CO 0.03 0.48 -0.17 0.00 0.02 0.00 0.00 177.57 177.93 1wm9 h ALA 66 N 1.05 -0.49 -0.79 1.67 0.00 -1.08 -0.94 119.26 118.68 1wm9 h ALA 66 Ca 0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1wm9 h ALA 66 Cb 0.86 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1wm9 h ALA 66 CO 0.07 -0.75 0.47 0.87 0.00 0.00 0.00 179.25 179.91 1wm9 h LYS 67 N -0.52 1.06 0.56 0.00 1.57 -1.47 -2.38 116.57 115.38 1wm9 h LYS 67 Ca -0.05 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1wm9 h LYS 67 Cb 0.40 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1wm9 h LYS 67 CO 0.08 0.75 -0.33 0.00 -0.57 0.00 0.00 179.45 179.38 1wm9 h ALA 68 N 1.44 -0.85 0.00 3.86 0.00 -1.00 -2.42 119.26 120.29 1wm9 h ALA 68 Ca 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1wm9 h ALA 68 Cb -0.04 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1wm9 h ALA 68 CO -0.05 -0.99 -0.04 -1.49 0.00 0.00 0.00 179.25 176.67 1wm9 h TRP 69 N -0.84 0.00 -0.17 0.00 4.06 -1.02 0.25 115.95 118.23 1wm9 h TRP 69 Ca -0.07 0.00 -0.20 0.00 2.06 0.00 0.00 58.89 60.68 1wm9 h TRP 69 Cb 0.68 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.84 1wm9 h TRP 69 CO -0.09 0.04 -0.70 0.00 -3.56 0.00 0.00 178.44 174.13 1wm9 h ALA 70 N 1.96 0.44 -0.13 1.49 0.00 -1.20 -2.72 119.26 119.10 1wm9 h ALA 70 Ca -0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 54.91 54.23 1wm9 h ALA 70 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1wm9 h ALA 70 CO 0.01 0.70 -0.30 0.35 0.00 0.00 0.00 179.25 180.00 1wm9 h PHE 71 N 0.50 0.56 0.00 0.00 3.57 -0.74 -2.42 116.94 118.41 1wm9 h PHE 71 Ca -0.03 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 61.26 1wm9 h PHE 71 Cb 1.31 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1wm9 h PHE 71 CO 0.07 0.92 0.00 1.28 -2.23 0.00 0.00 178.31 178.35 1wm9 n LEU 72 N -4.40 0.18 0.00 0.59 4.77 -0.04 -2.35 117.00 115.75 1wm9 n LEU 72 Ca -0.07 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1wm9 n LEU 72 Cb 0.48 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1wm9 n LEU 72 CO 0.42 -0.46 0.42 0.35 -1.33 0.00 0.00 177.39 176.79 1wm9 n THR 73 N -1.72 0.70 0.34 -5.08 -2.24 -1.03 -2.71 114.28 102.54 1wm9 n THR 73 Ca 0.02 -0.76 0.22 0.00 -2.27 0.00 0.00 64.05 61.26 1wm9 n THR 73 Cb 0.11 0.68 1.21 0.00 -2.10 0.00 0.00 70.33 70.23 1wm9 n THR 73 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1wm9 h ARG 74 N 0.00 0.00 -0.16 -0.78 0.11 -1.03 -2.51 114.38 110.00 1wm9 h ARG 74 Ca 0.00 0.00 0.05 0.00 0.10 0.00 0.00 59.98 60.13 1wm9 h ARG 74 Cb 0.51 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.59 1wm9 h ARG 74 CO 0.00 0.00 0.12 0.78 0.10 0.00 0.00 179.97 180.97 1wm9 h GLY 75 N 0.00 0.00 1.65 0.08 0.00 -1.37 0.04 103.07 103.48 1wm9 h GLY 75 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1wm9 h GLY 75 CO -0.00 0.00 -0.31 -0.97 0.00 0.00 0.00 176.54 175.26 1wm9 h TYR 76 N 0.00 0.46 -0.37 5.60 0.05 -1.58 -3.08 116.97 118.05 1wm9 h TYR 76 Ca 0.08 -0.11 -0.05 0.00 0.05 0.00 0.00 58.73 58.70 1wm9 h TYR 76 Cb 0.32 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.92 1wm9 h TYR 76 CO 0.00 0.67 0.06 0.54 -1.05 0.00 0.00 178.16 178.38 1wm9 n ARG 77 N -4.09 3.02 -4.25 4.88 1.74 -0.00 -4.92 116.66 113.03 1wm9 n ARG 77 Ca -0.01 -1.81 -0.28 0.00 -0.77 0.00 0.00 57.85 54.98 1wm9 n ARG 77 Cb 0.43 -1.90 -0.09 0.00 -1.02 0.00 0.00 32.46 29.87 1wm9 n ARG 77 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1wm9 s GLN 78 N -2.00 2.12 -0.14 5.56 -0.21 -1.16 -5.10 119.66 118.72 1wm9 s GLN 78 Ca 0.32 -1.12 -0.02 0.00 0.02 0.00 0.00 55.36 54.56 1wm9 s GLN 78 Cb 0.25 -2.26 -0.02 0.00 1.00 0.00 0.00 33.01 31.98 1wm9 s GLN 78 CO 0.09 0.48 -0.07 1.03 -2.12 0.00 0.00 175.29 174.69 1wm9 s ARG 79 N -2.49 3.51 0.40 2.91 0.52 -1.26 -5.00 118.95 117.53 1wm9 s ARG 79 Ca 0.23 -0.58 0.11 0.00 -0.52 0.00 0.00 55.73 54.97 1wm9 s ARG 79 Cb -0.10 -2.79 0.91 0.00 0.52 0.00 0.00 34.95 33.49 1wm9 s ARG 79 CO 0.15 0.26 1.95 1.25 0.02 0.00 0.00 175.30 178.92 1wm9 h LEU 80 N 6.60 0.51 -0.67 2.53 5.85 -1.99 -1.29 115.31 126.85 1wm9 h LEU 80 Ca -0.30 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.39 1wm9 h LEU 80 Cb 1.20 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 1wm9 h LEU 80 CO 0.60 0.30 0.27 -0.33 -0.34 0.00 0.00 178.44 178.93 1wm9 h GLU 81 N 0.56 1.01 0.08 1.25 3.07 -1.96 -2.41 114.58 116.17 1wm9 h GLU 81 Ca 0.33 -0.18 -0.26 0.00 -0.50 0.00 0.00 59.36 58.75 1wm9 h GLU 81 Cb 0.53 -0.16 0.01 0.00 -0.84 0.00 0.00 28.75 28.28 1wm9 h GLU 81 CO -0.11 0.84 -1.12 0.93 -1.40 0.00 0.00 179.01 178.15 1wm9 h GLU 82 N 0.95 0.36 -0.49 2.33 5.08 -1.71 -2.92 114.58 118.18 1wm9 h GLU 82 Ca 0.22 -0.49 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1wm9 h GLU 82 Cb 0.21 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1wm9 h GLU 82 CO -0.02 1.19 0.30 0.28 -1.00 0.00 0.00 179.01 179.76 1wm9 h VAL 83 N 0.15 1.15 0.00 3.13 2.07 -1.17 -2.42 116.25 119.15 1wm9 h VAL 83 Ca -0.12 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 67.00 1wm9 h VAL 83 Cb 1.80 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 1wm9 h VAL 83 CO 0.19 0.15 -0.43 0.58 0.02 0.00 0.00 177.57 178.08 1wm9 h VAL 84 N 0.66 0.89 0.00 2.57 2.07 -1.53 -3.48 116.25 117.44 1wm9 h VAL 84 Ca 0.18 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 65.94 1wm9 h VAL 84 Cb -0.03 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1wm9 h VAL 84 CO -0.03 0.42 0.00 0.61 0.02 0.00 0.00 177.57 178.58 1wm9 n GLY 85 N 0.53 3.00 0.74 2.17 0.00 -0.91 -2.97 105.19 107.75 1wm9 n GLY 85 Ca 0.00 -0.35 0.08 0.00 0.00 0.00 0.00 46.02 45.75 1wm9 n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wm9 n GLY 86 N 0.00 4.02 2.53 -0.02 0.00 -1.26 -4.83 105.19 105.63 1wm9 n GLY 86 Ca 0.00 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.64 1wm9 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wm9 n ALA 87 N -0.54 6.63 -3.89 4.61 0.00 -1.16 -4.81 120.51 121.35 1wm9 n ALA 87 Ca 0.19 -3.96 -0.29 0.00 0.00 0.00 0.00 53.44 49.39 1wm9 n ALA 87 Cb 0.80 -3.05 -0.16 0.00 0.00 0.00 0.00 19.45 17.04 1wm9 n ALA 87 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1wm9 s VAL 88 N 0.46 1.14 0.39 0.00 1.01 -1.26 -1.98 120.40 120.17 1wm9 s VAL 88 Ca 0.55 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.86 1wm9 s VAL 88 Cb 0.16 -1.37 -0.07 0.00 0.00 0.00 0.00 36.38 35.11 1wm9 s VAL 88 CO -0.07 0.05 0.05 -0.36 0.00 0.00 0.00 175.10 174.77 1wm9 s PHE 89 N 1.60 2.54 0.50 5.22 0.08 -0.00 -4.95 117.98 122.97 1wm9 s PHE 89 Ca -0.01 -0.59 -0.21 0.00 0.12 0.00 0.00 56.93 56.24 1wm9 s PHE 89 Cb -0.16 -1.75 -0.06 0.00 -0.57 0.00 0.00 43.02 40.48 1wm9 s PHE 89 CO -0.07 0.39 1.16 -2.14 -0.10 0.00 0.00 175.22 174.46 1wm9 s PRO 90 N -3.76 3.53 0.26 0.24 0.02 -1.26 0.17 135.00 134.20 1wm9 s PRO 90 Ca 0.36 1.72 -0.30 0.00 0.02 0.00 0.00 61.00 62.81 1wm9 s PRO 90 Cb 0.06 -2.21 -0.09 0.00 0.02 0.00 0.00 34.50 32.28 1wm9 s PRO 90 CO 0.19 -0.73 1.17 0.00 -0.33 0.00 0.00 177.00 177.30 1wm9 s ALA 91 N -1.64 3.44 -0.29 -1.55 0.00 0.25 -4.49 121.76 117.47 1wm9 s ALA 91 Ca 0.68 0.98 0.22 0.00 0.00 0.00 0.00 51.96 53.85 1wm9 s ALA 91 Cb -0.27 -3.38 0.10 0.00 0.00 0.00 0.00 23.12 19.57 1wm9 s ALA 91 CO 0.32 -0.32 1.22 0.93 0.00 0.00 0.00 175.76 177.91 1wm9 h GLU 92 N 4.24 0.00 0.00 0.00 4.39 -1.94 -3.48 114.58 117.80 1wm9 h GLU 92 Ca -0.46 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.25 1wm9 h GLU 92 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1wm9 h GLU 92 CO 0.69 0.02 0.32 0.41 -1.16 0.00 0.00 179.01 179.29 1wm9 n GLY 93 N 1.16 0.98 0.85 -3.84 0.00 -1.26 -5.05 105.19 98.03 1wm9 n GLY 93 Ca 0.01 -1.21 0.10 0.00 0.00 0.00 0.00 46.02 44.91 1wm9 n GLY 93 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wm9 n SER 94 N -1.43 2.84 -4.84 1.61 3.41 -1.26 -4.81 113.62 109.14 1wm9 n SER 94 Ca -0.07 -1.85 -0.32 0.00 -0.26 0.00 0.00 58.87 56.38 1wm9 n SER 94 Cb 0.54 -0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 64.38 1wm9 n SER 94 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1wm9 s GLU 95 N -1.46 3.72 0.39 4.33 0.41 -1.26 -4.68 118.70 120.14 1wm9 s GLU 95 Ca 0.27 0.95 -0.28 0.00 -0.41 0.00 0.00 54.97 55.50 1wm9 s GLU 95 Cb 0.17 -2.10 -0.11 0.00 -1.78 0.00 0.00 34.13 30.31 1wm9 s GLU 95 CO 0.25 -0.46 1.48 -0.12 -0.49 0.00 0.00 175.26 175.92 1wm9 n MET 96 N -1.98 2.64 -4.41 1.61 0.00 -1.26 -4.60 117.12 109.12 1wm9 n MET 96 Ca 0.07 0.93 -0.34 0.00 0.00 0.00 0.00 57.70 58.36 1wm9 n MET 96 Cb 0.54 -2.67 -0.14 0.00 0.00 0.00 0.00 33.22 30.95 1wm9 n MET 96 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1wm9 s VAL 97 N -1.13 3.12 -0.23 1.12 1.01 0.89 -4.95 120.40 120.24 1wm9 s VAL 97 Ca 0.54 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1wm9 s VAL 97 Cb -0.47 -2.35 0.04 0.00 0.00 0.00 0.00 36.38 33.60 1wm9 s VAL 97 CO 0.63 0.49 -0.14 -0.69 0.00 0.00 0.00 175.10 175.39 1wm9 s VAL 98 N 0.80 2.17 -0.47 2.92 1.01 -1.26 -0.98 120.40 124.59 1wm9 s VAL 98 Ca -0.04 -1.34 -0.10 0.00 0.00 0.00 0.00 61.98 60.50 1wm9 s VAL 98 Cb -0.15 -2.13 0.11 0.00 0.00 0.00 0.00 36.38 34.21 1wm9 s VAL 98 CO 0.01 0.20 0.35 -0.69 0.00 0.00 0.00 175.10 174.97 1wm9 s VAL 99 N 1.19 4.41 0.30 2.92 1.01 0.15 -4.97 120.40 125.40 1wm9 s VAL 99 Ca -0.03 -1.62 0.08 0.00 0.00 0.00 0.00 61.98 60.41 1wm9 s VAL 99 Cb -0.17 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 1wm9 s VAL 99 CO -0.08 -0.72 0.20 -1.59 0.00 0.00 0.00 175.10 172.91 1wm9 s LYS 100 N 1.42 2.69 -0.99 2.72 -2.85 -1.26 -0.53 119.74 120.93 1wm9 s LYS 100 Ca 0.05 -1.27 0.00 0.00 -1.00 0.00 0.00 55.97 53.75 1wm9 s LYS 100 Cb -0.26 -2.42 0.00 0.00 -2.06 0.00 0.00 37.83 33.09 1wm9 s LYS 100 CO 0.01 0.24 0.00 0.41 0.10 0.00 0.00 175.35 176.10 1wm9 n GLY 101 N -1.21 0.36 3.57 0.59 0.00 -1.23 -4.96 105.19 102.32 1wm9 n GLY 101 Ca -0.05 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 1wm9 n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wm9 s VAL 102 N -2.49 3.83 0.54 1.61 1.01 -0.74 -4.82 120.40 119.35 1wm9 s VAL 102 Ca 0.00 0.70 -0.21 0.00 0.00 0.00 0.00 61.98 62.47 1wm9 s VAL 102 Cb 0.00 -4.57 -0.05 0.00 0.00 0.00 0.00 36.38 31.76 1wm9 s VAL 102 CO 0.00 -1.30 1.22 -1.83 0.00 0.00 0.00 175.10 173.19 1wm9 s GLU 103 N 5.41 3.26 0.08 2.72 1.03 -1.26 0.19 118.70 130.14 1wm9 s GLU 103 Ca 0.48 1.88 -0.05 0.00 0.03 0.00 0.00 54.97 57.30 1wm9 s GLU 103 Cb -0.09 -2.14 -0.02 0.00 -0.80 0.00 0.00 34.13 31.08 1wm9 s GLU 103 CO 0.24 -0.99 0.11 -0.59 -1.33 0.00 0.00 175.26 172.70 1wm9 s PHE 104 N -1.53 0.35 -0.01 4.83 -0.12 -0.37 -4.85 117.98 116.28 1wm9 s PHE 104 Ca 0.72 -0.82 0.00 0.00 -0.05 0.00 0.00 56.93 56.78 1wm9 s PHE 104 Cb -0.31 -0.21 0.02 0.00 -0.63 0.00 0.00 43.02 41.88 1wm9 s PHE 104 CO 0.36 -0.49 0.01 0.71 -0.05 0.00 0.00 175.22 175.76 1wm9 s TYR 105 N -3.90 0.03 0.26 3.49 2.02 -1.26 -2.22 117.35 115.77 1wm9 s TYR 105 Ca 0.08 0.07 0.03 0.00 -0.37 0.00 0.00 57.07 56.87 1wm9 s TYR 105 Cb 0.06 -0.14 -0.01 0.00 -0.40 0.00 0.00 41.96 41.47 1wm9 s TYR 105 CO -0.09 -0.05 0.28 0.45 -1.57 0.00 0.00 175.55 174.57 1wm9 n SER 106 N 3.69 -0.75 -3.90 2.29 2.88 -0.29 -4.33 113.62 113.21 1wm9 n SER 106 Ca -0.21 -2.55 -0.24 0.00 -1.33 0.00 0.00 58.87 54.54 1wm9 n SER 106 Cb 0.54 1.55 -0.17 0.00 -0.75 0.00 0.00 64.21 65.39 1wm9 n SER 106 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1wm9 s MET 107 N -2.83 1.22 0.03 -1.46 1.75 -1.22 -2.05 119.30 114.74 1wm9 s MET 107 Ca 0.26 -0.18 -0.30 0.00 -1.25 0.00 0.00 55.69 54.22 1wm9 s MET 107 Cb 0.00 -1.26 -0.05 0.00 2.84 0.00 0.00 34.83 36.36 1wm9 s MET 107 CO 0.19 -0.18 1.28 0.00 -0.65 0.00 0.00 175.02 175.66 1wm9 h GLU 109 N 7.21 0.00 -0.17 0.00 4.11 -1.43 0.25 114.58 124.55 1wm9 h GLU 109 Ca -0.39 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 58.82 1wm9 h GLU 109 Cb 1.19 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.45 1wm9 h GLU 109 CO 0.86 0.05 -0.76 0.45 0.07 0.00 0.00 179.01 179.68 1wm9 h HIS 110 N 0.00 1.09 0.00 2.06 3.86 -1.91 -3.38 115.15 116.87 1wm9 h HIS 110 Ca -0.00 -0.47 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 1wm9 h HIS 110 Cb 0.16 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.46 1wm9 h HIS 110 CO 0.00 1.31 0.00 0.72 0.86 0.00 0.00 177.93 180.82 1wm9 n HIS 111 N -3.94 0.00 -3.10 2.45 8.25 -1.17 -5.01 115.22 112.69 1wm9 n HIS 111 Ca -0.07 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.16 1wm9 n HIS 111 Cb 0.74 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.88 1wm9 n HIS 111 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1wm9 n LEU 112 N -0.29 -2.61 -4.44 2.41 4.77 0.87 -4.99 117.00 112.71 1wm9 n LEU 112 Ca 0.00 -0.32 -0.31 0.00 -0.03 0.00 0.00 56.01 55.35 1wm9 n LEU 112 Cb 0.03 -2.89 -0.13 0.00 -2.33 0.00 0.00 43.42 38.09 1wm9 n LEU 112 CO 0.00 0.25 -0.49 -0.76 -1.33 0.00 0.00 177.39 175.06 1wm9 s LEU 113 N -6.72 2.57 0.59 2.23 1.43 -1.25 -4.87 118.68 112.66 1wm9 s LEU 113 Ca 0.34 -0.39 -0.20 0.00 -1.03 0.00 0.00 54.13 52.85 1wm9 s LEU 113 Cb -0.15 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 1wm9 s LEU 113 CO 0.41 0.28 1.30 -2.84 0.23 0.00 0.00 176.35 175.74 1wm9 s PRO 114 N -1.22 2.89 -0.02 1.29 0.02 -1.26 -1.63 135.00 135.08 1wm9 s PRO 114 Ca 0.13 2.09 -0.02 0.00 0.02 0.00 0.00 61.00 63.23 1wm9 s PRO 114 Cb -0.10 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.38 1wm9 s PRO 114 CO 0.04 -1.34 0.04 -0.59 -0.33 0.00 0.00 177.00 174.82 1wm9 s PHE 115 N -1.39 -0.04 0.25 6.54 -0.71 -0.87 -1.94 117.98 119.82 1wm9 s PHE 115 Ca 0.77 0.10 -0.16 0.00 -1.04 0.00 0.00 56.93 56.60 1wm9 s PHE 115 Cb -0.37 0.01 0.01 0.00 -1.21 0.00 0.00 43.02 41.45 1wm9 s PHE 115 CO 0.42 -0.03 0.55 -0.59 -1.34 0.00 0.00 175.22 174.23 1wm9 s PHE 116 N -0.05 0.12 0.00 3.49 -0.71 -0.36 -1.14 117.98 119.33 1wm9 s PHE 116 Ca -0.01 -0.51 0.00 0.00 -1.04 0.00 0.00 56.93 55.37 1wm9 s PHE 116 Cb -0.01 0.37 0.00 0.00 -1.21 0.00 0.00 43.02 42.17 1wm9 s PHE 116 CO 0.00 -1.05 0.00 0.41 -1.34 0.00 0.00 175.22 173.24 1wm9 n GLY 117 N -0.40 -0.54 3.11 1.99 0.00 -0.94 0.03 105.19 108.44 1wm9 n GLY 117 Ca -0.04 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 1wm9 n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wm9 s LYS 118 N -0.03 0.67 -0.11 1.61 1.02 0.03 -1.23 119.74 121.69 1wm9 s LYS 118 Ca 0.00 -1.01 0.03 0.00 0.02 0.00 0.00 55.97 55.01 1wm9 s LYS 118 Cb 0.00 -0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.05 1wm9 s LYS 118 CO 0.00 0.02 -0.22 0.08 -0.92 0.00 0.00 175.35 174.32 1wm9 s VAL 119 N -2.35 1.92 -0.15 3.17 1.01 0.13 -1.11 120.40 123.02 1wm9 s VAL 119 Ca -0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 1wm9 s VAL 119 Cb -0.03 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 1wm9 s VAL 119 CO -0.02 0.53 -0.11 -1.00 0.00 0.00 0.00 175.10 174.50 1wm9 s HIS 120 N 0.54 2.85 -0.06 5.22 0.09 0.10 -1.80 115.29 122.23 1wm9 s HIS 120 Ca -0.15 -0.71 0.06 0.00 -0.00 0.00 0.00 55.06 54.26 1wm9 s HIS 120 Cb -0.17 -1.90 -0.01 0.00 -0.00 0.00 0.00 32.58 30.50 1wm9 s HIS 120 CO 0.05 -0.28 -0.25 0.42 -0.00 0.00 0.00 174.74 174.68 1wm9 s ILE 121 N 0.58 2.05 -0.00 0.60 1.01 0.31 -0.44 121.20 125.30 1wm9 s ILE 121 Ca -0.07 -1.06 0.03 0.00 0.00 0.00 0.00 60.65 59.55 1wm9 s ILE 121 Cb -0.15 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.57 1wm9 s ILE 121 CO 0.03 0.57 -0.09 -0.83 0.00 0.00 0.00 174.94 174.62 1wm9 s GLY 122 N -0.07 0.47 0.03 6.18 0.00 0.13 0.32 107.32 114.37 1wm9 s GLY 122 Ca -0.06 -0.44 -0.26 0.00 0.00 0.00 0.00 44.72 43.96 1wm9 s GLY 122 CO 0.05 -0.38 0.60 -2.52 0.00 0.00 0.00 173.10 170.85 1wm9 s TYR 123 N -0.31 -0.55 -0.29 1.90 -0.85 -0.15 0.80 117.35 117.91 1wm9 s TYR 123 Ca 0.03 0.73 -0.03 0.00 -0.52 0.00 0.00 57.07 57.28 1wm9 s TYR 123 Cb -0.04 0.41 0.04 0.00 0.38 0.00 0.00 41.96 42.75 1wm9 s TYR 123 CO -0.00 -0.66 0.01 0.42 -1.52 0.00 0.00 175.55 173.79 1wm9 s ILE 124 N -2.13 3.19 0.73 -3.49 1.01 -0.99 -0.08 121.20 119.45 1wm9 s ILE 124 Ca -0.07 -1.16 -0.12 0.00 0.00 0.00 0.00 60.65 59.30 1wm9 s ILE 124 Cb -0.01 -2.74 0.04 0.00 0.01 0.00 0.00 42.46 39.76 1wm9 s ILE 124 CO 0.01 -0.01 1.11 -2.16 0.00 0.00 0.00 174.94 173.89 1wm9 s PRO 125 N 1.33 2.41 -0.57 2.79 0.04 -1.26 -0.56 135.00 139.18 1wm9 s PRO 125 Ca -0.02 1.30 0.05 0.00 0.04 0.00 0.00 61.00 62.36 1wm9 s PRO 125 Cb -0.18 -1.91 0.18 0.00 0.04 0.00 0.00 34.50 32.63 1wm9 s PRO 125 CO -0.01 -1.54 0.46 -3.47 0.04 0.00 0.00 177.00 172.48 1wm9 n ASP 126 N -3.09 1.55 0.00 6.66 4.64 -1.26 -4.40 116.55 120.64 1wm9 n ASP 126 Ca 0.10 -2.87 0.00 0.00 -1.38 0.00 0.00 54.79 50.63 1wm9 n ASP 126 Cb 0.52 -0.66 0.00 0.00 -1.04 0.00 0.00 41.12 39.94 1wm9 n ASP 126 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1wm9 n GLY 127 N 2.17 2.88 2.97 0.27 0.00 -1.26 -4.90 105.19 107.32 1wm9 n GLY 127 Ca 0.25 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.10 1wm9 n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wm9 s LYS 128 N -0.12 0.48 0.21 1.61 -2.85 -1.26 -0.58 119.74 117.23 1wm9 s LYS 128 Ca 0.00 -0.21 0.10 0.00 -1.00 0.00 0.00 55.97 54.86 1wm9 s LYS 128 Cb 0.00 -0.46 -0.05 0.00 -2.06 0.00 0.00 37.83 35.26 1wm9 s LYS 128 CO 0.00 0.13 -0.19 0.96 0.10 0.00 0.00 175.35 176.35 1wm9 s ILE 129 N -0.14 2.10 0.15 3.79 -5.25 0.13 -4.72 121.20 117.26 1wm9 s ILE 129 Ca 0.02 -2.15 0.03 0.00 -0.99 0.00 0.00 60.65 57.57 1wm9 s ILE 129 Cb -0.02 -2.08 -0.04 0.00 2.95 0.00 0.00 42.46 43.28 1wm9 s ILE 129 CO -0.00 -0.37 0.23 -0.22 -1.79 0.00 0.00 174.94 172.79 1wm9 s LEU 130 N -3.06 4.14 0.04 0.37 2.96 -1.26 -0.82 118.68 121.04 1wm9 s LEU 130 Ca 0.22 0.06 -0.30 0.00 -0.22 0.00 0.00 54.13 53.89 1wm9 s LEU 130 Cb -0.05 -2.72 -0.06 0.00 0.50 0.00 0.00 46.19 43.86 1wm9 s LEU 130 CO 0.10 0.06 1.34 -0.83 -1.32 0.00 0.00 176.35 175.70 1wm9 s GLY 131 N -3.18 2.01 0.21 7.98 0.00 -0.84 -4.92 107.32 108.59 1wm9 s GLY 131 Ca 0.33 0.92 -0.14 0.00 0.00 0.00 0.00 44.72 45.83 1wm9 s GLY 131 CO 0.27 2.35 1.35 1.04 0.00 0.00 0.00 173.10 178.11 1wm9 n LEU 132 N 4.70 -0.53 0.16 0.66 7.99 -1.26 -0.67 117.00 128.04 1wm9 n LEU 132 Ca 0.12 1.52 0.13 0.00 -0.01 0.00 0.00 56.01 57.76 1wm9 n LEU 132 Cb 0.44 -0.36 0.66 0.00 -0.11 0.00 0.00 43.42 44.05 1wm9 n LEU 132 CO 0.58 -1.37 1.12 0.77 -1.51 0.00 0.00 177.39 176.97 1wm9 h SER 133 N 0.00 0.00 0.36 -1.43 4.64 -2.00 -1.41 113.55 113.71 1wm9 h SER 133 Ca 0.32 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.63 1wm9 h SER 133 Cb 0.54 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1wm9 h SER 133 CO -0.87 0.00 -0.05 0.11 -0.87 0.00 0.00 176.83 175.15 1wm9 h LYS 134 N 0.00 0.00 -0.53 4.77 1.79 -1.26 -1.14 116.57 120.20 1wm9 h LYS 134 Ca 0.10 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.46 1wm9 h LYS 134 Cb 0.41 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.04 1wm9 h LYS 134 CO -0.00 0.05 -0.09 0.74 -1.08 0.00 0.00 179.45 179.07 1wm9 h PHE 135 N 0.00 1.11 -0.65 -1.35 0.04 -1.35 -1.60 116.94 113.13 1wm9 h PHE 135 Ca -0.00 -0.23 -0.07 0.00 2.80 0.00 0.00 57.97 60.47 1wm9 h PHE 135 Cb 0.24 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 38.09 1wm9 h PHE 135 CO 0.00 1.03 0.14 0.00 -0.60 0.00 0.00 178.31 178.88 1wm9 h ALA 136 N 0.92 1.01 -0.54 2.45 0.00 -1.33 -1.78 119.26 119.99 1wm9 h ALA 136 Ca 0.14 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1wm9 h ALA 136 Cb 0.65 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1wm9 h ALA 136 CO 0.04 0.64 -0.10 0.00 0.00 0.00 0.00 179.25 179.84 1wm9 h ARG 137 N 0.99 1.01 -0.60 0.00 3.08 -1.20 -1.23 114.38 116.42 1wm9 h ARG 137 Ca 0.20 -0.36 -0.08 0.00 0.07 0.00 0.00 59.98 59.82 1wm9 h ARG 137 Cb 0.38 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1wm9 h ARG 137 CO 0.01 1.05 0.08 0.82 -1.07 0.00 0.00 179.97 180.86 1wm9 h ILE 138 N 0.90 1.26 -0.10 2.04 2.04 -1.05 0.02 117.51 122.62 1wm9 h ILE 138 Ca 0.14 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.98 1wm9 h ILE 138 Cb 0.66 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1wm9 h ILE 138 CO 0.05 0.38 0.06 0.58 0.00 0.00 0.00 178.15 179.21 1wm9 h VAL 139 N 0.91 1.02 -0.34 1.67 2.07 -1.12 -2.47 116.25 117.99 1wm9 h VAL 139 Ca 0.18 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.62 1wm9 h VAL 139 Cb 0.44 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1wm9 h VAL 139 CO 0.01 0.02 0.06 0.44 0.02 0.00 0.00 177.57 178.13 1wm9 h ASP 140 N 0.13 0.46 -0.78 0.57 3.32 -1.03 -0.08 116.42 119.00 1wm9 h ASP 140 Ca 0.04 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.03 1wm9 h ASP 140 Cb -0.01 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 1wm9 h ASP 140 CO -0.01 0.48 0.51 -0.03 -1.72 0.00 0.00 179.24 178.47 1wm9 h MET 141 N 0.49 1.01 0.00 3.56 4.05 -0.54 -1.31 114.93 122.19 1wm9 h MET 141 Ca 0.11 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 1wm9 h MET 141 Cb 0.23 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1wm9 h MET 141 CO -0.00 0.67 -1.07 1.19 0.23 0.00 0.00 176.91 177.93 1wm9 n PHE 142 N -4.55 0.58 0.11 1.39 3.72 -1.06 -4.19 117.46 113.46 1wm9 n PHE 142 Ca 0.08 0.17 -0.18 0.00 -0.05 0.00 0.00 57.45 57.46 1wm9 n PHE 142 Cb 0.03 -0.70 -0.14 0.00 -0.94 0.00 0.00 39.48 37.73 1wm9 n PHE 142 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wm9 h ALA 143 N 2.24 0.04 -0.13 4.37 0.00 -0.83 -3.37 119.26 121.58 1wm9 h ALA 143 Ca 0.00 -0.86 -0.71 0.00 0.00 0.00 0.00 54.91 53.34 1wm9 h ALA 143 Cb 0.88 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1wm9 h ALA 143 CO 0.00 0.88 3.15 0.54 0.00 0.00 0.00 179.25 183.82 1wm9 n ARG 144 N -3.61 3.20 -3.67 0.00 1.74 -0.51 -4.25 116.66 109.56 1wm9 n ARG 144 Ca -0.11 -2.65 -0.09 0.00 -0.77 0.00 0.00 57.85 54.24 1wm9 n ARG 144 Cb 1.03 -3.11 0.03 0.00 -1.02 0.00 0.00 32.46 29.39 1wm9 n ARG 144 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1wm9 n ARG 145 N 5.12 1.09 -3.24 5.56 1.74 -1.10 -1.28 116.66 124.56 1wm9 n ARG 145 Ca 0.57 -2.15 -0.39 0.00 -0.77 0.00 0.00 57.85 55.12 1wm9 n ARG 145 Cb 0.35 2.68 -0.06 0.00 -1.02 0.00 0.00 32.46 34.41 1wm9 n ARG 145 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1wm9 s LEU 146 N 0.00 4.25 0.00 0.55 1.43 -1.26 -3.39 118.68 120.26 1wm9 s LEU 146 Ca 0.15 0.87 0.05 0.00 -1.03 0.00 0.00 54.13 54.17 1wm9 s LEU 146 Cb -0.05 -2.79 -0.02 0.00 0.03 0.00 0.00 46.19 43.37 1wm9 s LEU 146 CO 0.11 -0.07 0.17 0.00 0.23 0.00 0.00 176.35 176.79 1wm9 n GLN 147 N 3.96 0.47 -3.76 1.70 1.13 0.18 -4.73 117.38 116.33 1wm9 n GLN 147 Ca -0.05 -2.58 -0.16 0.00 -1.94 0.00 0.00 57.00 52.28 1wm9 n GLN 147 Cb 0.51 1.78 -0.16 0.00 0.11 0.00 0.00 30.24 32.48 1wm9 n GLN 147 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1wm9 s VAL 148 N -2.88 -0.07 0.40 5.09 1.01 -1.26 -1.16 120.40 121.53 1wm9 s VAL 148 Ca 0.24 0.24 0.14 0.00 0.00 0.00 0.00 61.98 62.60 1wm9 s VAL 148 Cb 0.01 -0.09 0.35 0.00 0.00 0.00 0.00 36.38 36.64 1wm9 s VAL 148 CO 0.17 0.10 1.90 -0.61 0.00 0.00 0.00 175.10 176.66 1wm9 h GLN 149 N 7.44 0.49 -0.83 2.72 4.15 -2.00 -0.98 115.11 126.10 1wm9 h GLN 149 Ca -0.42 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 58.97 1wm9 h GLN 149 Cb 1.12 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.66 1wm9 h GLN 149 CO 0.44 0.32 0.49 0.93 -1.93 0.00 0.00 178.83 179.08 1wm9 h GLU 150 N 0.50 1.13 -0.30 1.69 3.07 -1.97 -2.70 114.58 116.00 1wm9 h GLU 150 Ca 0.39 -0.11 -0.16 0.00 -0.50 0.00 0.00 59.36 58.98 1wm9 h GLU 150 Cb 0.81 -0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 28.49 1wm9 h GLU 150 CO -0.14 0.80 -0.45 -0.09 -1.40 0.00 0.00 179.01 177.73 1wm9 h ARG 151 N 1.14 0.84 -0.60 2.33 2.43 -1.63 -3.15 114.38 115.74 1wm9 h ARG 151 Ca 0.30 -0.50 0.08 0.00 -0.81 0.00 0.00 59.98 59.04 1wm9 h ARG 151 Cb -0.03 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.50 1wm9 h ARG 151 CO -0.05 1.13 0.27 1.25 -1.51 0.00 0.00 179.97 181.06 1wm9 h LEU 152 N 0.62 0.34 -1.00 3.80 5.85 -1.08 0.19 115.31 124.02 1wm9 h LEU 152 Ca 0.03 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1wm9 h LEU 152 Cb 1.05 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 1wm9 h LEU 152 CO 0.10 0.21 0.06 0.00 -0.34 0.00 0.00 178.44 178.47 1wm9 h ALA 153 N 1.37 1.18 -0.11 1.25 0.00 -1.52 -2.11 119.26 119.32 1wm9 h ALA 153 Ca 0.29 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1wm9 h ALA 153 Cb 0.28 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1wm9 h ALA 153 CO -0.24 0.54 -0.18 0.28 0.00 0.00 0.00 179.25 179.65 1wm9 h VAL 154 N 0.74 1.38 -0.25 0.00 2.07 -1.29 -2.78 116.25 116.12 1wm9 h VAL 154 Ca 0.15 -1.43 -0.07 0.00 0.82 0.00 0.00 66.70 66.17 1wm9 h VAL 154 Cb 0.37 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1wm9 h VAL 154 CO 0.01 0.41 -0.16 1.56 0.02 0.00 0.00 177.57 179.41 1wm9 h GLN 155 N -0.10 0.43 -0.26 1.57 4.20 -0.89 -0.67 115.11 119.38 1wm9 h GLN 155 Ca 0.01 -0.13 -0.11 0.00 0.06 0.00 0.00 58.65 58.48 1wm9 h GLN 155 Cb 0.75 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.48 1wm9 h GLN 155 CO 0.04 0.59 -0.27 0.82 -0.67 0.00 0.00 178.83 179.34 1wm9 h ILE 156 N 0.40 1.31 -0.65 2.54 2.04 -1.44 -1.97 117.51 119.73 1wm9 h ILE 156 Ca 0.07 -1.44 -0.06 0.00 1.00 0.00 0.00 64.86 64.43 1wm9 h ILE 156 Cb 0.52 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 1wm9 h ILE 156 CO 0.03 0.46 0.17 0.00 0.00 0.00 0.00 178.15 178.81 1wm9 h ALA 157 N 0.69 0.86 -0.30 1.87 0.00 -1.24 -2.11 119.26 119.02 1wm9 h ALA 157 Ca 0.04 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 1wm9 h ALA 157 Cb 0.84 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1wm9 h ALA 157 CO 0.07 0.57 -0.30 0.93 0.00 0.00 0.00 179.25 180.52 1wm9 h GLU 158 N 0.96 0.63 -0.29 0.00 5.08 -1.13 -1.71 114.58 118.13 1wm9 h GLU 158 Ca 0.21 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1wm9 h GLU 158 Cb 0.35 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1wm9 h GLU 158 CO 0.00 0.86 0.13 0.00 -1.00 0.00 0.00 179.01 179.00 1wm9 h ALA 159 N 1.13 0.38 -0.45 3.43 0.00 -1.12 -1.15 119.26 121.47 1wm9 h ALA 159 Ca 0.07 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1wm9 h ALA 159 Cb 0.78 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1wm9 h ALA 159 CO 0.06 -0.04 -0.11 0.82 0.00 0.00 0.00 179.25 179.98 1wm9 h ILE 160 N 0.33 1.26 -0.67 0.00 2.04 -1.29 -1.67 117.51 117.51 1wm9 h ILE 160 Ca 0.10 -1.18 -0.03 0.00 1.00 0.00 0.00 64.86 64.75 1wm9 h ILE 160 Cb 0.15 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1wm9 h ILE 160 CO -0.01 0.41 0.30 -0.61 0.00 0.00 0.00 178.15 178.23 1wm9 h GLN 161 N 0.74 0.98 -0.48 2.37 5.75 -1.08 -1.33 115.11 122.05 1wm9 h GLN 161 Ca 0.12 -0.16 -0.11 0.00 -0.15 0.00 0.00 58.65 58.36 1wm9 h GLN 161 Cb 0.60 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.96 1wm9 h GLN 161 CO 0.04 0.79 -0.13 1.49 -2.65 0.00 0.00 178.83 178.38 1wm9 h GLU 162 N 0.93 0.89 -0.01 1.69 4.81 -0.96 0.24 114.58 122.17 1wm9 h GLU 162 Ca 0.23 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1wm9 h GLU 162 Cb 0.16 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1wm9 h GLU 162 CO -0.02 0.96 -0.06 0.28 -0.73 0.00 0.00 179.01 179.44 1wm9 h VAL 163 N 0.80 1.50 0.00 0.32 2.07 -1.05 -3.38 116.25 116.51 1wm9 h VAL 163 Ca 0.13 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 66.09 1wm9 h VAL 163 Cb 0.65 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 1wm9 h VAL 163 CO 0.05 0.41 -1.93 0.18 0.02 0.00 0.00 177.57 176.30 1wm9 n LEU 164 N -4.72 0.07 -3.96 2.57 4.77 -0.52 -5.00 117.00 110.21 1wm9 n LEU 164 Ca -0.09 -0.03 -0.28 0.00 -0.03 0.00 0.00 56.01 55.58 1wm9 n LEU 164 Cb 0.35 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.42 1wm9 n LEU 164 CO 0.35 0.02 -0.24 -0.62 -1.33 0.00 0.00 177.39 175.57 1wm9 n GLU 165 N -2.20 -2.67 -1.62 3.23 1.02 0.85 -4.72 120.64 114.53 1wm9 n GLU 165 Ca -0.03 0.36 -0.29 0.00 -0.02 0.00 0.00 57.16 57.18 1wm9 n GLU 165 Cb 0.55 -4.29 0.21 0.00 -0.02 0.00 0.00 31.44 27.89 1wm9 n GLU 165 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1wm9 n PRO 166 N -4.43 -1.74 0.21 3.49 -0.04 -1.26 -4.60 135.00 126.63 1wm9 n PRO 166 Ca -0.28 -1.91 0.06 0.00 -0.04 0.00 0.00 63.50 61.33 1wm9 n PRO 166 Cb 0.67 -1.39 0.45 0.00 -0.04 0.00 0.00 33.50 33.19 1wm9 n PRO 166 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1wm9 h GLN 167 N 0.00 0.00 -1.29 0.54 4.20 -1.03 -3.46 115.11 114.06 1wm9 h GLN 167 Ca -0.41 0.00 0.28 0.00 0.06 0.00 0.00 58.65 58.57 1wm9 h GLN 167 Cb 1.16 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 28.74 1wm9 h GLN 167 CO 0.28 0.30 0.88 0.20 -0.67 0.00 0.00 178.83 179.82 1wm9 s GLY 168 N -4.29 -0.23 -0.00 3.46 0.00 -1.22 -0.88 107.32 104.16 1wm9 s GLY 168 Ca -0.02 1.83 0.01 0.00 0.00 0.00 0.00 44.72 46.54 1wm9 s GLY 168 CO 0.67 0.63 -0.02 0.14 0.00 0.00 0.00 173.10 174.53 1wm9 s VAL 169 N -2.13 0.14 -0.05 1.40 1.01 -0.08 -2.34 120.40 118.35 1wm9 s VAL 169 Ca 0.10 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.99 1wm9 s VAL 169 Cb -0.01 -0.13 0.01 0.00 0.00 0.00 0.00 36.38 36.25 1wm9 s VAL 169 CO -0.04 0.02 -0.11 -0.83 0.00 0.00 0.00 175.10 174.14 1wm9 s GLY 170 N -0.10 0.69 -0.04 4.51 0.00 0.24 -0.38 107.32 112.24 1wm9 s GLY 170 Ca 0.00 -0.35 0.01 0.00 0.00 0.00 0.00 44.72 44.38 1wm9 s GLY 170 CO -0.00 0.09 -0.05 0.14 0.00 0.00 0.00 173.10 173.28 1wm9 s VAL 171 N 0.55 0.58 -0.07 1.40 1.01 -0.65 0.18 120.40 123.40 1wm9 s VAL 171 Ca -0.11 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.74 1wm9 s VAL 171 Cb -0.14 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.66 1wm9 s VAL 171 CO 0.02 0.23 -0.17 -0.69 0.00 0.00 0.00 175.10 174.49 1wm9 s VAL 172 N 0.79 1.53 -0.08 2.92 1.01 0.41 -1.58 120.40 125.40 1wm9 s VAL 172 Ca -0.11 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.19 1wm9 s VAL 172 Cb -0.14 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 1wm9 s VAL 172 CO 0.01 0.44 -0.22 -0.69 0.00 0.00 0.00 175.10 174.64 1wm9 s VAL 173 N 0.45 2.30 -0.07 2.92 1.01 0.49 0.02 120.40 127.52 1wm9 s VAL 173 Ca -0.15 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 60.87 1wm9 s VAL 173 Cb -0.16 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.37 1wm9 s VAL 173 CO 0.05 0.56 -0.03 -0.70 0.00 0.00 0.00 175.10 174.98 1wm9 s GLU 174 N 0.05 0.89 0.24 2.72 2.12 -0.27 -1.25 118.70 123.21 1wm9 s GLU 174 Ca -0.09 -0.04 -0.15 0.00 0.36 0.00 0.00 54.97 55.05 1wm9 s GLU 174 Cb -0.15 -1.07 0.00 0.00 0.26 0.00 0.00 34.13 33.17 1wm9 s GLU 174 CO 0.06 -0.22 0.52 0.20 -0.54 0.00 0.00 175.26 175.28 1wm9 s GLY 175 N 1.57 0.34 0.01 -1.50 0.00 -0.62 -0.79 107.32 106.33 1wm9 s GLY 175 Ca -0.00 -0.69 0.02 0.00 0.00 0.00 0.00 44.72 44.05 1wm9 s GLY 175 CO -0.04 -0.49 -0.01 -1.34 0.00 0.00 0.00 173.10 171.22 1wm9 s VAL 176 N -3.98 4.07 -0.21 1.40 -7.23 0.10 -1.22 120.40 113.34 1wm9 s VAL 176 Ca 0.18 -0.68 0.00 0.00 -1.81 0.00 0.00 61.98 59.67 1wm9 s VAL 176 Cb -0.02 -2.83 0.02 0.00 0.56 0.00 0.00 36.38 34.12 1wm9 s VAL 176 CO 0.07 0.34 -0.14 -1.00 -0.31 0.00 0.00 175.10 174.05 1wm9 s HIS 177 N -1.11 2.92 0.41 2.82 3.76 -1.26 -1.23 115.29 121.60 1wm9 s HIS 177 Ca 0.20 -1.63 0.21 0.00 -0.15 0.00 0.00 55.06 53.69 1wm9 s HIS 177 Cb -0.11 -1.97 1.17 0.00 1.11 0.00 0.00 32.58 32.78 1wm9 s HIS 177 CO 0.11 -0.77 2.00 -0.07 -0.85 0.00 0.00 174.74 175.16 1wm9 h LEU 178 N 7.95 0.00 -1.96 0.89 3.38 -1.71 -1.55 115.31 122.31 1wm9 h LEU 178 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1wm9 h LEU 178 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1wm9 h LEU 178 CO 0.60 0.19 0.00 0.00 0.09 0.00 0.00 178.44 179.32 1wm9 n MET 180 N -2.87 0.67 -0.06 0.00 0.00 -0.61 -4.05 117.12 110.21 1wm9 n MET 180 Ca -0.01 -0.00 -0.03 0.00 -0.00 0.00 0.00 57.70 57.66 1wm9 n MET 180 Cb 0.17 -1.56 -0.13 0.00 0.00 0.00 0.00 33.22 31.70 1wm9 n MET 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1wm9 n MET 181 N -2.70 1.17 0.01 2.12 -0.00 -0.97 -0.96 117.12 115.79 1wm9 n MET 181 Ca -0.25 -0.05 0.11 0.00 -0.00 0.00 0.00 57.70 57.51 1wm9 n MET 181 Cb 1.02 -1.40 0.00 0.00 -0.00 0.00 0.00 33.22 32.85 1wm9 n MET 181 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 175.97 175.85 1wm9 n MET 182 N -2.42 0.15 -3.95 3.17 0.00 0.13 -4.50 117.12 109.70 1wm9 n MET 182 Ca -0.18 -0.01 -0.09 0.00 0.00 0.00 0.00 57.70 57.41 1wm9 n MET 182 Cb 0.83 -1.54 -0.05 0.00 0.00 0.00 0.00 33.22 32.46 1wm9 n MET 182 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 1wm9 s ARG 183 N -3.11 1.43 6.27 2.12 3.52 -1.22 -4.98 118.95 122.98 1wm9 s ARG 183 Ca 0.06 -1.17 0.00 0.00 -0.13 0.00 0.00 55.73 54.49 1wm9 s ARG 183 Cb 0.16 0.46 0.00 0.00 -1.56 0.00 0.00 34.95 34.00 1wm9 s ARG 183 CO 0.81 -0.59 0.00 0.41 -0.81 0.00 0.00 175.30 175.13 1wm9 n GLY 184 N -0.34 1.72 0.19 8.12 0.00 -1.26 -2.22 105.19 111.40 1wm9 n GLY 184 Ca -0.04 0.34 0.01 0.00 0.00 0.00 0.00 46.02 46.33 1wm9 n GLY 184 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1wm9 h VAL 185 N 0.00 1.29 -5.40 1.61 -1.51 -1.84 -3.48 116.25 106.92 1wm9 h VAL 185 Ca 0.00 -1.38 -0.41 0.00 -1.23 0.00 0.00 66.70 63.67 1wm9 h VAL 185 Cb 0.00 1.69 0.07 0.00 -2.13 0.00 0.00 31.29 30.92 1wm9 h VAL 185 CO 0.00 0.40 -0.66 -0.62 -1.23 0.00 0.00 177.57 175.46 1wm9 n GLU 186 N -4.06 -6.16 -2.52 5.19 1.02 -0.14 -4.97 120.64 108.99 1wm9 n GLU 186 Ca -0.02 0.80 -0.37 0.00 -0.02 0.00 0.00 57.16 57.55 1wm9 n GLU 186 Cb 0.43 -5.74 -0.04 0.00 -0.02 0.00 0.00 31.44 26.08 1wm9 n GLU 186 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1wm9 s LYS 187 N -6.12 4.16 -0.12 3.49 -0.14 -0.57 -4.84 119.74 115.59 1wm9 s LYS 187 Ca 0.49 1.55 0.08 0.00 -1.36 0.00 0.00 55.97 56.72 1wm9 s LYS 187 Cb -0.22 -2.56 -0.13 0.00 -1.68 0.00 0.00 37.83 33.24 1wm9 s LYS 187 CO 0.60 -0.16 -0.00 1.04 -0.76 0.00 0.00 175.35 176.07 1wm9 n GLN 188 N -0.05 1.70 0.00 1.68 1.13 -1.26 -3.81 117.38 116.76 1wm9 n GLN 188 Ca 0.05 0.02 0.13 0.00 -1.94 0.00 0.00 57.00 55.26 1wm9 n GLN 188 Cb 0.49 -1.30 0.40 0.00 0.11 0.00 0.00 30.24 29.95 1wm9 n GLN 188 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1wm9 n HIS 189 N -2.55 0.00 -2.58 1.08 8.25 -1.26 -4.98 115.22 113.18 1wm9 n HIS 189 Ca -0.21 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 56.88 1wm9 n HIS 189 Cb 0.85 -0.07 -0.05 0.00 1.12 0.00 0.00 29.99 31.85 1wm9 n HIS 189 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1wm9 s SER 190 N -2.32 6.97 -0.00 0.41 0.15 -1.26 -5.07 113.70 112.58 1wm9 s SER 190 Ca 0.29 2.04 -0.03 0.00 0.70 0.00 0.00 55.95 58.95 1wm9 s SER 190 Cb 0.20 -2.59 -0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1wm9 s SER 190 CO 0.45 -0.34 0.06 -0.13 1.20 0.00 0.00 173.24 174.48 1wm9 s ARG 191 N -2.20 0.29 -0.06 5.44 0.52 -1.26 -4.75 118.95 116.93 1wm9 s ARG 191 Ca 0.54 -0.31 0.04 0.00 -0.52 0.00 0.00 55.73 55.48 1wm9 s ARG 191 Cb -0.23 0.12 -0.02 0.00 0.52 0.00 0.00 34.95 35.34 1wm9 s ARG 191 CO 0.29 -0.06 -0.19 0.99 0.02 0.00 0.00 175.30 176.35 1wm9 s THR 192 N -0.95 2.57 -0.15 0.02 2.01 -0.35 -4.96 115.64 113.82 1wm9 s THR 192 Ca -0.10 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.02 1wm9 s THR 192 Cb -0.06 -1.99 -0.00 0.00 0.01 0.00 0.00 72.50 70.46 1wm9 s THR 192 CO 0.00 0.57 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.66 1wm9 s VAL 193 N -0.30 2.66 0.11 3.82 1.01 -1.26 -1.59 120.40 124.85 1wm9 s VAL 193 Ca 0.01 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.27 1wm9 s VAL 193 Cb -0.13 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1wm9 s VAL 193 CO 0.03 0.52 -0.12 0.42 0.00 0.00 0.00 175.10 175.94 1wm9 s THR 194 N 0.77 1.14 0.32 3.92 -4.23 -0.38 -5.00 115.64 112.18 1wm9 s THR 194 Ca -0.06 -1.66 -0.15 0.00 -1.18 0.00 0.00 61.69 58.65 1wm9 s THR 194 Cb -0.15 -1.42 0.02 0.00 1.34 0.00 0.00 72.50 72.29 1wm9 s THR 194 CO 0.00 -0.47 0.66 -0.94 -0.54 0.00 0.00 174.62 173.33 1wm9 s SER 195 N -2.41 0.04 -0.14 3.99 1.04 -1.26 -0.38 113.70 114.58 1wm9 s SER 195 Ca 0.07 -0.99 -0.10 0.00 0.48 0.00 0.00 55.95 55.40 1wm9 s SER 195 Cb -0.04 0.73 0.05 0.00 0.10 0.00 0.00 66.02 66.86 1wm9 s SER 195 CO 0.02 -1.42 0.36 0.00 0.98 0.00 0.00 173.24 173.18 1wm9 s ALA 196 N -3.24 -0.90 -0.13 5.32 0.00 -0.61 -4.73 121.76 117.46 1wm9 s ALA 196 Ca 0.18 1.23 0.01 0.00 0.00 0.00 0.00 51.96 53.38 1wm9 s ALA 196 Cb -0.04 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.36 1wm9 s ALA 196 CO 0.11 -0.22 -0.15 -1.64 0.00 0.00 0.00 175.76 173.87 1wm9 s MET 197 N 0.89 2.28 0.14 0.00 -1.94 -1.26 -1.63 119.30 117.77 1wm9 s MET 197 Ca -0.06 -0.56 0.10 0.00 -1.71 0.00 0.00 55.69 53.46 1wm9 s MET 197 Cb -0.06 -2.03 -0.04 0.00 2.01 0.00 0.00 34.83 34.70 1wm9 s MET 197 CO -0.07 -0.17 -0.25 -0.51 -0.01 0.00 0.00 175.02 174.02 1wm9 s LEU 198 N 1.30 2.35 0.00 -0.03 1.43 0.49 -4.50 118.68 119.72 1wm9 s LEU 198 Ca 0.01 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 1wm9 s LEU 198 Cb -0.14 -1.12 0.00 0.00 0.03 0.00 0.00 46.19 44.97 1wm9 s LEU 198 CO -0.07 0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.25 1wm9 n GLY 199 N 0.78 2.88 0.31 -3.19 0.00 -1.26 -0.90 105.19 103.81 1wm9 n GLY 199 Ca -0.17 -0.28 0.20 0.00 0.00 0.00 0.00 46.02 45.77 1wm9 n GLY 199 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1wm9 h VAL 200 N 0.00 0.12 0.00 1.61 -1.51 -1.34 -0.76 116.25 114.37 1wm9 h VAL 200 Ca 0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 1wm9 h VAL 200 Cb 0.00 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.32 1wm9 h VAL 200 CO 0.00 0.02 0.00 0.49 -1.23 0.00 0.00 177.57 176.85 1wm9 n PHE 201 N -3.22 0.68 -0.09 5.19 3.72 -1.07 -0.03 117.46 122.64 1wm9 n PHE 201 Ca -0.02 0.24 -0.11 0.00 -0.05 0.00 0.00 57.45 57.51 1wm9 n PHE 201 Cb 0.15 -0.89 -0.10 0.00 -0.94 0.00 0.00 39.48 37.70 1wm9 n PHE 201 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1wm9 n ARG 202 N -2.09 0.91 0.02 -1.08 0.63 -0.41 -4.44 116.66 110.20 1wm9 n ARG 202 Ca 0.04 0.06 -0.10 0.00 -0.92 0.00 0.00 57.85 56.93 1wm9 n ARG 202 Cb 0.28 -1.38 -0.13 0.00 0.45 0.00 0.00 32.46 31.68 1wm9 n ARG 202 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1wm9 h GLU 203 N 0.00 0.06 -4.49 -0.14 4.39 -1.17 -3.43 114.58 109.80 1wm9 h GLU 203 Ca -0.42 -0.10 -0.71 0.00 0.34 0.00 0.00 59.36 58.47 1wm9 h GLU 203 Cb 1.76 0.04 -0.27 0.00 -0.10 0.00 0.00 28.75 30.18 1wm9 h GLU 203 CO -0.03 0.81 -0.48 1.21 -1.16 0.00 0.00 179.01 179.35 1wm9 s ASN 204 N -6.50 5.64 0.31 1.42 3.84 0.96 -4.97 114.94 115.64 1wm9 s ASN 204 Ca -0.04 -1.39 0.01 0.00 0.21 0.00 0.00 52.86 51.64 1wm9 s ASN 204 Cb 0.08 -1.99 0.54 0.00 -0.55 0.00 0.00 41.25 39.33 1wm9 s ASN 204 CO 0.83 -0.50 1.95 -0.61 -2.79 0.00 0.00 177.10 175.98 1wm9 h GLN 205 N 8.40 0.98 -0.56 0.43 5.75 -1.85 -2.08 115.11 126.19 1wm9 h GLN 205 Ca -0.23 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 58.12 1wm9 h GLN 205 Cb 1.09 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 29.39 1wm9 h GLN 205 CO 0.73 0.65 0.02 0.87 -2.65 0.00 0.00 178.83 178.45 1wm9 h LYS 206 N 1.01 0.98 -0.34 1.69 1.79 -1.93 -2.14 116.57 117.63 1wm9 h LYS 206 Ca 0.33 -0.30 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1wm9 h LYS 206 Cb 0.06 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.60 1wm9 h LYS 206 CO -0.10 0.97 0.17 1.15 -1.08 0.00 0.00 179.45 180.56 1wm9 h THR 207 N 0.86 1.16 -0.38 -0.16 2.02 -1.70 -0.67 112.91 114.05 1wm9 h THR 207 Ca 0.16 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 1wm9 h THR 207 Cb 0.52 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1wm9 h THR 207 CO 0.03 0.16 0.13 -0.09 0.37 0.00 0.00 175.52 176.12 1wm9 h ARG 208 N 0.41 0.59 -0.66 6.66 2.43 -1.34 -1.76 114.38 120.71 1wm9 h ARG 208 Ca 0.12 -0.12 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1wm9 h ARG 208 Cb 0.11 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 1wm9 h ARG 208 CO -0.02 0.59 0.42 0.93 -1.51 0.00 0.00 179.97 180.38 1wm9 h GLU 209 N 0.47 0.81 -0.65 0.20 5.08 -1.26 0.41 114.58 119.64 1wm9 h GLU 209 Ca 0.12 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1wm9 h GLU 209 Cb 0.24 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1wm9 h GLU 209 CO -0.01 0.53 0.23 1.49 -1.00 0.00 0.00 179.01 180.26 1wm9 h GLU 210 N 0.83 0.97 -0.03 2.33 4.81 -0.94 0.11 114.58 122.66 1wm9 h GLU 210 Ca 0.26 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1wm9 h GLU 210 Cb -0.02 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 1wm9 h GLU 210 CO -0.09 0.81 -0.01 0.35 -0.73 0.00 0.00 179.01 179.35 1wm9 h PHE 211 N 0.94 0.06 -0.35 0.92 -0.00 -0.68 -2.75 116.94 115.09 1wm9 h PHE 211 Ca 0.22 -0.01 -0.04 0.00 -0.00 0.00 0.00 57.97 58.13 1wm9 h PHE 211 Cb 0.23 -0.02 -0.02 0.00 -0.00 0.00 0.00 35.95 36.15 1wm9 h PHE 211 CO 0.02 0.40 0.05 -0.07 -0.00 0.00 0.00 178.31 178.71 1wm9 h LEU 212 N -0.29 0.48 -0.92 0.59 3.38 -0.73 -2.53 115.31 115.29 1wm9 h LEU 212 Ca 0.01 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 1wm9 h LEU 212 Cb 0.38 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1wm9 h LEU 212 CO 0.00 0.51 -0.39 0.28 0.09 0.00 0.00 178.44 178.94 1wm9 h SER 213 N 0.51 0.31 0.15 -0.43 0.02 -0.75 -2.37 113.55 110.99 1wm9 h SER 213 Ca 0.12 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1wm9 h SER 213 Cb 0.25 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 1wm9 h SER 213 CO 0.00 0.68 -0.13 0.45 -1.14 0.00 0.00 176.83 176.69 1wm9 h HIS 214 N 0.26 0.00 0.00 3.45 3.86 -1.14 -2.16 115.15 119.42 1wm9 h HIS 214 Ca 0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1wm9 h HIS 214 Cb 0.80 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.27 1wm9 h HIS 214 CO 0.02 0.13 0.00 -0.07 0.86 0.00 0.00 177.93 178.86 1wm9 h LEU 215 N 0.00 0.00 -0.35 2.43 3.38 -1.39 -3.52 115.31 115.86 1wm9 h LEU 215 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wm9 h LEU 215 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1wm9 h LEU 215 CO 0.02 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.09