#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wbq s ARG 22 N 0.00 0.36 0.00 1.45 1.70 -1.26 -5.05 118.95 116.15 2wbq s ARG 22 Ca 0.00 -0.58 0.24 0.00 -0.47 0.00 0.00 55.73 54.91 2wbq s ARG 22 Cb 0.00 0.13 1.42 0.00 -0.57 0.00 0.00 34.95 35.94 2wbq s ARG 22 CO 0.00 -0.07 1.89 -0.35 -1.08 0.00 0.00 175.30 175.69 2wbq n PRO 23 N 1.51 0.96 -4.52 3.89 -0.04 -1.26 -4.78 135.00 130.76 2wbq n PRO 23 Ca -0.23 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 62.97 2wbq n PRO 23 Cb 0.55 -1.39 -0.10 0.00 -0.04 0.00 0.00 33.50 32.52 2wbq n PRO 23 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 2wbq s TRP 24 N -2.00 2.44 -0.16 0.54 -2.14 -1.26 -1.18 118.94 115.18 2wbq s TRP 24 Ca 0.36 -0.51 -0.08 0.00 2.66 0.00 0.00 56.10 58.53 2wbq s TRP 24 Cb 0.16 -1.46 -0.04 0.00 -3.10 0.00 0.00 33.47 29.04 2wbq s TRP 24 CO 0.28 0.55 0.10 0.45 -2.66 0.00 0.00 176.95 175.67 2wbq s SER 25 N -3.64 6.01 0.02 -2.66 0.15 -0.32 -4.92 113.70 108.34 2wbq s SER 25 Ca 0.33 0.24 0.08 0.00 0.70 0.00 0.00 55.95 57.30 2wbq s SER 25 Cb 0.03 -2.00 -0.02 0.00 -1.71 0.00 0.00 66.02 62.32 2wbq s SER 25 CO 0.17 0.26 -0.22 -0.70 1.20 0.00 0.00 173.24 173.94 2wbq s GLU 26 N -0.11 1.62 -0.02 5.44 2.12 -1.26 -0.53 118.70 125.96 2wbq s GLU 26 Ca 0.09 -0.92 0.02 0.00 0.36 0.00 0.00 54.97 54.52 2wbq s GLU 26 Cb -0.12 -1.69 0.00 0.00 0.26 0.00 0.00 34.13 32.59 2wbq s GLU 26 CO 0.01 0.44 -0.09 0.12 -0.54 0.00 0.00 175.26 175.20 2wbq s PHE 27 N -0.70 0.89 -0.22 5.30 5.36 0.12 -4.96 117.98 123.77 2wbq s PHE 27 Ca 0.09 -0.21 0.00 0.00 -0.96 0.00 0.00 56.93 55.85 2wbq s PHE 27 Cb -0.09 -0.63 0.03 0.00 -0.34 0.00 0.00 43.02 41.99 2wbq s PHE 27 CO 0.01 -0.08 -0.12 1.03 -1.46 0.00 0.00 175.22 174.60 2wbq s ARG 28 N 0.12 2.81 0.35 10.12 1.81 -1.26 -0.69 118.95 132.20 2wbq s ARG 28 Ca -0.02 -0.97 -0.29 0.00 -1.72 0.00 0.00 55.73 52.73 2wbq s ARG 28 Cb -0.07 -2.82 -0.11 0.00 -0.45 0.00 0.00 34.95 31.50 2wbq s ARG 28 CO 0.00 -0.35 1.49 -0.51 -0.68 0.00 0.00 175.30 175.25 2wbq s LEU 29 N 1.28 4.34 0.71 2.53 1.43 -0.47 -4.96 118.68 123.53 2wbq s LEU 29 Ca 0.00 2.98 -0.13 0.00 -1.03 0.00 0.00 54.13 55.96 2wbq s LEU 29 Cb -0.16 -3.66 0.03 0.00 0.03 0.00 0.00 46.19 42.43 2wbq s LEU 29 CO -0.08 -0.85 1.10 0.42 0.23 0.00 0.00 176.35 177.18 2wbq s THR 30 N -0.84 3.32 0.28 5.49 -4.23 -1.26 -4.81 115.64 113.59 2wbq s THR 30 Ca 0.55 0.52 0.01 0.00 -1.18 0.00 0.00 61.69 61.59 2wbq s THR 30 Cb -0.46 -3.03 0.28 0.00 1.34 0.00 0.00 72.50 70.62 2wbq s THR 30 CO 0.58 -0.47 1.82 -0.65 -0.54 0.00 0.00 174.62 175.36 2wbq h PRO 31 N -0.52 0.91 -0.51 3.99 0.11 -1.95 0.10 132.00 134.14 2wbq h PRO 31 Ca -0.45 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2wbq h PRO 31 Cb 1.24 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 2wbq h PRO 31 CO 0.53 0.60 0.26 0.00 -0.21 0.00 0.00 178.00 179.18 2wbq h ALA 32 N 1.54 0.65 -0.62 -0.75 0.00 -1.99 -0.37 119.26 117.72 2wbq h ALA 32 Ca 0.49 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 2wbq h ALA 32 Cb 0.52 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2wbq h ALA 32 CO -0.28 0.20 0.27 0.93 0.00 0.00 0.00 179.25 180.37 2wbq h GLU 33 N 0.68 0.91 -0.65 0.00 5.08 -1.77 -0.77 114.58 118.05 2wbq h GLU 33 Ca 0.18 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2wbq h GLU 33 Cb 0.09 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 2wbq h GLU 33 CO -0.02 0.76 0.27 0.00 -1.00 0.00 0.00 179.01 179.01 2wbq h ALA 34 N 1.11 0.84 -0.65 3.43 0.00 -0.81 -0.48 119.26 122.70 2wbq h ALA 34 Ca 0.21 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2wbq h ALA 34 Cb 0.17 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2wbq h ALA 34 CO -0.02 0.45 0.26 0.00 0.00 0.00 0.00 179.25 179.93 2wbq h ALA 35 N 1.11 0.84 -0.53 0.00 0.00 -0.84 -0.77 119.26 119.08 2wbq h ALA 35 Ca 0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2wbq h ALA 35 Cb 0.19 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2wbq h ALA 35 CO -0.02 0.46 0.20 0.00 0.00 0.00 0.00 179.25 179.89 2wbq h ALA 36 N 1.11 0.69 -0.45 0.00 0.00 -0.66 -0.42 119.26 119.53 2wbq h ALA 36 Ca 0.22 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2wbq h ALA 36 Cb 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2wbq h ALA 36 CO -0.02 0.31 0.13 0.00 0.00 0.00 0.00 179.25 179.68 2wbq h ALA 37 N 1.05 0.59 -0.91 0.00 0.00 -0.93 -1.37 119.26 117.69 2wbq h ALA 37 Ca 0.17 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2wbq h ALA 37 Cb 0.22 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2wbq h ALA 37 CO -0.01 0.25 0.51 0.00 0.00 0.00 0.00 179.25 179.99 2wbq h ALA 38 N 0.99 1.17 -0.59 0.00 0.00 -0.96 -1.49 119.26 118.37 2wbq h ALA 38 Ca 0.14 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2wbq h ALA 38 Cb 0.28 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2wbq h ALA 38 CO -0.00 0.67 0.01 0.00 0.00 0.00 0.00 179.25 179.92 2wbq h ALA 39 N 1.28 0.90 -0.39 0.00 0.00 -0.74 -0.09 119.26 120.22 2wbq h ALA 39 Ca 0.32 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2wbq h ALA 39 Cb 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2wbq h ALA 39 CO -0.05 0.65 0.20 1.25 0.00 0.00 0.00 179.25 181.29 2wbq h LEU 40 N 0.93 0.51 -0.83 0.00 5.85 -0.87 -0.59 115.31 120.31 2wbq h LEU 40 Ca 0.17 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2wbq h LEU 40 Cb 0.53 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 2wbq h LEU 40 CO 0.03 0.48 0.45 0.00 -0.34 0.00 0.00 178.44 179.06 2wbq h ALA 41 N 1.05 1.06 -0.75 1.25 0.00 -1.01 -1.52 119.26 119.34 2wbq h ALA 41 Ca 0.14 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2wbq h ALA 41 Cb 0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2wbq h ALA 41 CO -0.02 0.58 0.23 0.00 0.00 0.00 0.00 179.25 180.04 2wbq h ALA 42 N 1.24 0.98 -0.67 0.00 0.00 -0.73 -0.51 119.26 119.57 2wbq h ALA 42 Ca 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2wbq h ALA 42 Cb 0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2wbq h ALA 42 CO -0.05 0.67 0.37 0.00 0.00 0.00 0.00 179.25 180.24 2wbq h ARG 43 N 1.12 0.93 -0.50 0.00 3.08 -0.71 -1.32 114.38 116.98 2wbq h ARG 43 Ca 0.24 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 2wbq h ARG 43 Cb 0.32 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 2wbq h ARG 43 CO -0.01 0.70 0.25 0.00 -1.07 0.00 0.00 179.97 179.85 2wbq h ALA 45 N 1.09 1.79 -0.05 0.00 0.00 -0.71 -0.50 119.26 120.88 2wbq h ALA 45 Ca 0.17 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 2wbq h ALA 45 Cb 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2wbq h ALA 45 CO -0.02 0.17 -0.58 1.96 0.00 0.00 0.00 179.25 180.78 2wbq h GLN 46 N 0.22 0.17 0.00 0.00 4.20 -0.66 -3.36 115.11 115.67 2wbq h GLN 46 Ca 0.06 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 2wbq h GLN 46 Cb 0.08 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2wbq h GLN 46 CO -0.00 0.70 -1.78 0.54 -0.67 0.00 0.00 178.83 177.62 2wbq n ARG 47 N -3.88 0.65 -4.67 1.46 1.74 -0.65 -4.93 116.66 106.37 2wbq n ARG 47 Ca -0.02 -0.08 -0.28 0.00 -0.77 0.00 0.00 57.85 56.70 2wbq n ARG 47 Cb 0.59 -1.61 -0.14 0.00 -1.02 0.00 0.00 32.46 30.28 2wbq n ARG 47 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2wbq s TYR 48 N -3.34 2.18 0.15 -1.55 2.02 -0.29 -5.05 117.35 111.47 2wbq s TYR 48 Ca -0.06 -0.40 -0.08 0.00 -0.37 0.00 0.00 57.07 56.16 2wbq s TYR 48 Cb 0.12 -1.26 -0.01 0.00 -0.40 0.00 0.00 41.96 40.40 2wbq s TYR 48 CO 0.87 0.18 1.44 -0.44 -1.57 0.00 0.00 175.55 176.03 2wbq h ASP 49 N 4.50 0.85 -5.12 2.29 3.32 -1.88 -3.44 116.42 116.96 2wbq h ASP 49 Ca -0.47 -0.45 -0.07 0.00 0.02 0.00 0.00 57.03 56.05 2wbq h ASP 49 Cb 1.16 -0.24 -0.14 0.00 0.22 0.00 0.00 39.33 40.32 2wbq h ASP 49 CO 0.42 1.22 -0.25 -1.83 -1.72 0.00 0.00 179.24 177.09 2wbq s GLU 50 N -4.08 0.92 0.31 3.56 -1.05 -1.26 -5.04 118.70 112.05 2wbq s GLU 50 Ca -0.09 -0.82 0.11 0.00 -0.15 0.00 0.00 54.97 54.02 2wbq s GLU 50 Cb 0.11 0.39 0.51 0.00 -0.44 0.00 0.00 34.13 34.69 2wbq s GLU 50 CO 0.87 -0.32 1.70 1.79 0.95 0.00 0.00 175.26 180.26 2wbq h THR 51 N 2.66 1.36 -0.39 1.83 1.35 -1.97 -3.20 112.91 114.56 2wbq h THR 51 Ca -0.34 -1.74 0.00 0.00 -0.55 0.00 0.00 66.41 63.78 2wbq h THR 51 Cb 1.22 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.57 2wbq h THR 51 CO 0.52 0.50 0.00 0.47 -0.25 0.00 0.00 175.52 176.76 2wbq n ASP 52 N -3.94 3.44 -4.74 5.36 10.43 -1.26 -4.08 116.55 121.76 2wbq n ASP 52 Ca -0.01 -1.98 -0.34 0.00 2.57 0.00 0.00 54.79 55.03 2wbq n ASP 52 Cb 0.52 -0.25 0.07 0.00 1.84 0.00 0.00 41.12 43.30 2wbq n ASP 52 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 2wbq s GLY 53 N -1.43 2.32 0.31 0.44 0.00 -1.21 -4.84 107.32 102.91 2wbq s GLY 53 Ca 0.38 0.77 0.02 0.00 0.00 0.00 0.00 44.72 45.89 2wbq s GLY 53 CO 0.31 1.15 1.90 -2.55 0.00 0.00 0.00 173.10 173.91 2wbq h PRO 54 N -0.04 0.92 0.09 2.90 0.11 -1.91 -1.86 132.00 132.21 2wbq h PRO 54 Ca -0.48 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 2wbq h PRO 54 Cb 1.28 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2wbq h PRO 54 CO 0.52 0.61 -0.04 0.93 -0.21 0.00 0.00 178.00 179.81 2wbq h GLU 55 N 0.95 -0.11 -0.24 1.05 3.07 -1.93 -2.37 114.58 115.00 2wbq h GLU 55 Ca 0.40 0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 59.16 2wbq h GLU 55 Cb 0.31 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.24 2wbq h GLU 55 CO -0.16 0.22 -0.31 0.35 -1.40 0.00 0.00 179.01 177.70 2wbq h PHE 56 N -0.45 0.57 -0.67 4.33 3.57 -1.79 -1.08 116.94 121.41 2wbq h PHE 56 Ca -0.01 -0.14 0.07 0.00 3.53 0.00 0.00 57.97 61.42 2wbq h PHE 56 Cb 0.38 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.93 2wbq h PHE 56 CO 0.04 0.75 0.37 -0.07 -2.23 0.00 0.00 178.31 177.17 2wbq h LEU 57 N 0.43 0.53 -0.46 0.59 3.38 -1.24 0.74 115.31 119.27 2wbq h LEU 57 Ca 0.05 0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.89 2wbq h LEU 57 Cb 0.76 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 2wbq h LEU 57 CO 0.06 0.33 -0.56 -0.07 0.09 0.00 0.00 178.44 178.30 2wbq h LEU 58 N 0.66 0.69 0.01 1.67 3.38 -1.11 -3.35 115.31 117.26 2wbq h LEU 58 Ca 0.31 -0.37 -0.27 0.00 0.09 0.00 0.00 57.88 57.64 2wbq h LEU 58 Cb 0.23 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 2wbq h LEU 58 CO -0.20 1.11 -1.48 0.44 0.09 0.00 0.00 178.44 178.40 2wbq h ASP 59 N 0.48 0.02 -0.80 -0.43 5.19 -0.72 -3.39 116.42 116.77 2wbq h ASP 59 Ca 0.01 -0.04 0.14 0.00 -0.62 0.00 0.00 57.03 56.52 2wbq h ASP 59 Cb 1.12 -0.01 -0.09 0.00 0.18 0.00 0.00 39.33 40.52 2wbq h ASP 59 CO 0.11 1.04 0.38 0.00 -3.12 0.00 0.00 179.24 177.64 2wbq h ALA 60 N 0.96 1.18 0.00 3.45 0.00 -1.00 -0.36 119.26 123.49 2wbq h ALA 60 Ca -0.20 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2wbq h ALA 60 Cb 1.94 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.75 2wbq h ALA 60 CO 0.10 -0.14 -0.12 -1.35 0.00 0.00 0.00 179.25 177.74 2wbq h PRO 61 N 0.55 0.00 0.19 0.00 0.11 -1.79 0.42 132.00 131.47 2wbq h PRO 61 Ca 0.44 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 66.19 2wbq h PRO 61 Cb 0.63 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.75 2wbq h PRO 61 CO -0.38 0.12 -1.76 0.28 -0.21 0.00 0.00 178.00 176.05 2wbq h VAL 62 N 0.00 0.93 -0.49 3.15 2.07 -1.52 -3.29 116.25 117.10 2wbq h VAL 62 Ca -0.00 -2.51 0.02 0.00 0.82 0.00 0.00 66.70 65.03 2wbq h VAL 62 Cb 0.24 2.76 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 2wbq h VAL 62 CO 0.02 0.86 0.33 0.40 0.02 0.00 0.00 177.57 179.19 2wbq h ILE 63 N 0.11 1.09 0.00 4.57 2.04 -0.88 -1.50 117.51 122.93 2wbq h ILE 63 Ca -0.35 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 2wbq h ILE 63 Cb 2.10 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 38.61 2wbq h ILE 63 CO 0.18 0.11 -0.00 0.00 0.00 0.00 0.00 178.15 178.44 2wbq h ALA 64 N 1.71 1.20 0.00 1.87 0.00 -0.98 -0.29 119.26 122.77 2wbq h ALA 64 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2wbq h ALA 64 Cb 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2wbq h ALA 64 CO -0.05 0.00 0.00 0.45 0.00 0.00 0.00 179.25 179.66 2wbq h HIS 65 N 0.00 0.00 -0.01 0.00 3.86 -1.37 -1.68 115.15 115.95 2wbq h HIS 65 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2wbq h HIS 65 Cb 0.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.49 2wbq h HIS 65 CO 0.00 0.00 -0.09 0.39 0.86 0.00 0.00 177.93 179.09 2wbq n GLU 66 N -2.72 1.38 -0.87 2.45 -0.58 -0.12 -4.94 120.64 115.25 2wbq n GLU 66 Ca -0.02 -0.80 -0.30 0.00 -0.42 0.00 0.00 57.16 55.62 2wbq n GLU 66 Cb 0.06 -1.48 0.17 0.00 -0.57 0.00 0.00 31.44 29.62 2wbq n GLU 66 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2wbq s LEU 67 N -2.17 2.22 0.22 -4.62 1.43 -0.63 -4.90 118.68 110.22 2wbq s LEU 67 Ca 0.33 1.79 -0.32 0.00 -1.03 0.00 0.00 54.13 54.90 2wbq s LEU 67 Cb 0.20 -4.11 -0.14 0.00 0.03 0.00 0.00 46.19 42.18 2wbq s LEU 67 CO 0.40 -3.12 1.38 -2.65 0.23 0.00 0.00 176.35 172.59 2wbq n PRO 68 N -4.22 1.87 -0.21 1.29 -0.02 -1.26 -4.80 135.00 127.65 2wbq n PRO 68 Ca 0.08 0.67 -0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2wbq n PRO 68 Cb 0.54 -2.30 0.23 0.00 -0.02 0.00 0.00 33.50 31.94 2wbq n PRO 68 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2wbq h LYS 69 N 4.23 0.97 -0.55 -0.52 3.64 -1.94 -1.67 116.57 120.74 2wbq h LYS 69 Ca -0.45 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 58.80 2wbq h LYS 69 Cb 1.29 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 2wbq h LYS 69 CO 0.76 0.69 0.16 -0.09 -2.27 0.00 0.00 179.45 178.70 2wbq h ARG 70 N 0.99 0.84 -0.34 1.90 2.43 -2.00 0.39 114.38 118.60 2wbq h ARG 70 Ca 0.26 -0.16 -0.11 0.00 -0.81 0.00 0.00 59.98 59.17 2wbq h ARG 70 Cb -0.03 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 2wbq h ARG 70 CO -0.05 0.73 -0.20 1.25 -1.51 0.00 0.00 179.97 180.19 2wbq h LEU 71 N 0.81 0.76 -0.80 3.80 5.85 -1.74 -1.94 115.31 122.05 2wbq h LEU 71 Ca 0.18 -0.42 0.02 0.00 0.84 0.00 0.00 57.88 58.50 2wbq h LEU 71 Cb 0.26 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 2wbq h LEU 71 CO -0.01 1.02 0.52 0.03 -0.34 0.00 0.00 178.44 179.66 2wbq h ARG 72 N 0.50 0.99 -0.29 1.25 3.08 -0.72 -0.35 114.38 118.85 2wbq h ARG 72 Ca 0.07 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2wbq h ARG 72 Cb 0.75 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 2wbq h ARG 72 CO 0.06 0.66 0.18 1.15 -1.07 0.00 0.00 179.97 180.94 2wbq h THR 73 N 1.02 1.10 -0.38 2.04 2.02 -0.89 -1.40 112.91 116.42 2wbq h THR 73 Ca 0.31 -0.23 0.06 0.00 0.77 0.00 0.00 66.41 67.32 2wbq h THR 73 Cb -0.04 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 2wbq h THR 73 CO -0.10 0.10 0.05 0.15 0.37 0.00 0.00 175.52 176.10 2wbq h PHE 74 N 0.37 0.08 -0.68 3.16 3.57 -0.93 -1.24 116.94 121.28 2wbq h PHE 74 Ca 0.10 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 2wbq h PHE 74 Cb 0.01 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 2wbq h PHE 74 CO -0.04 -0.01 0.13 0.52 -2.23 0.00 0.00 178.31 176.68 2wbq h MET 75 N 0.17 1.10 -0.28 1.11 2.86 -0.86 0.19 114.93 119.23 2wbq h MET 75 Ca 0.18 -0.28 -0.16 0.00 -2.06 0.00 0.00 59.70 57.38 2wbq h MET 75 Cb 0.23 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.75 2wbq h MET 75 CO -0.26 0.99 -0.48 0.00 1.06 0.00 0.00 176.91 178.22 2wbq h ALA 76 N 1.10 0.63 0.08 6.32 0.00 -1.05 -2.90 119.26 123.43 2wbq h ALA 76 Ca 0.21 -0.49 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 2wbq h ALA 76 Cb 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2wbq h ALA 76 CO 0.01 0.68 -0.72 0.00 0.00 0.00 0.00 179.25 179.21 2wbq h ARG 77 N 0.59 0.16 -0.18 0.00 3.08 -1.07 -3.35 114.38 113.61 2wbq h ARG 77 Ca 0.03 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 59.75 2wbq h ARG 77 Cb 1.05 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 2wbq h ARG 77 CO 0.10 1.13 -0.15 0.00 -1.07 0.00 0.00 179.97 179.98 2wbq h ALA 78 N -0.03 1.42 0.00 0.04 0.00 -0.70 -1.16 119.26 118.82 2wbq h ALA 78 Ca -0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 2wbq h ALA 78 Cb 1.42 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 2wbq h ALA 78 CO 0.04 0.41 -0.14 0.07 0.00 0.00 0.00 179.25 179.63 2wbq h ARG 79 N 0.27 0.00 0.00 0.00 0.11 -1.66 -2.66 114.38 110.43 2wbq h ARG 79 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 2wbq h ARG 79 Cb 0.44 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.52 2wbq h ARG 79 CO 0.03 0.14 -0.49 1.28 0.10 0.00 0.00 179.97 181.03 2wbq n LEU 80 N -3.96 0.49 -4.74 0.08 4.77 -0.46 -4.91 117.00 108.27 2wbq n LEU 80 Ca -0.02 0.03 -0.36 0.00 -0.03 0.00 0.00 56.01 55.64 2wbq n LEU 80 Cb 0.23 -0.26 0.06 0.00 -2.33 0.00 0.00 43.42 41.12 2wbq n LEU 80 CO 0.33 0.11 0.84 -1.81 -1.33 0.00 0.00 177.39 175.53 2wbq s ASP 81 N -3.06 4.79 0.32 -1.43 1.01 -1.01 -4.93 116.67 112.35 2wbq s ASP 81 Ca 0.11 2.41 0.19 0.00 0.71 0.00 0.00 52.55 55.97 2wbq s ASP 81 Cb 0.17 -2.60 0.14 0.00 1.01 0.00 0.00 42.92 41.65 2wbq s ASP 81 CO 0.69 -1.86 1.43 0.00 0.21 0.00 0.00 175.17 175.64 2wbq h ALA 82 N 0.46 0.78 0.00 5.23 0.00 -1.91 -3.41 119.26 120.41 2wbq h ALA 82 Ca -0.50 -0.29 -0.29 0.00 0.00 0.00 0.00 54.91 53.83 2wbq h ALA 82 Cb 1.30 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 2wbq h ALA 82 CO 0.53 0.38 -2.10 -2.67 0.00 0.00 0.00 179.25 175.39 2wbq n TRP 83 N -3.12 0.00 -2.10 0.00 4.27 -1.26 -5.04 117.44 110.19 2wbq n TRP 83 Ca 0.02 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.25 2wbq n TRP 83 Cb 0.66 -0.77 0.00 0.00 -1.36 0.00 0.00 31.31 29.84 2wbq n TRP 83 CO 0.00 0.00 0.00 -2.14 -2.29 0.00 0.00 177.69 173.26 2wbq s PRO 84 N -2.39 3.69 0.34 -2.67 0.02 -1.26 -4.91 135.00 127.81 2wbq s PRO 84 Ca -0.17 1.98 0.23 0.00 0.02 0.00 0.00 61.00 63.06 2wbq s PRO 84 Cb 0.06 -2.48 0.23 0.00 0.02 0.00 0.00 34.50 32.33 2wbq s PRO 84 CO 0.55 -0.67 1.40 0.45 -0.33 0.00 0.00 177.00 178.41 2wbq h HIS 85 N 2.11 0.00 -2.84 6.54 3.86 -1.50 -3.46 115.15 119.86 2wbq h HIS 85 Ca -0.50 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.71 2wbq h HIS 85 Cb 1.26 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.60 2wbq h HIS 85 CO 0.52 0.00 0.25 0.00 0.86 0.00 0.00 177.93 179.56 2wbq s ALA 86 N -3.26 -1.64 -0.20 2.45 0.00 -1.26 -0.95 121.76 116.89 2wbq s ALA 86 Ca 0.04 0.61 -0.03 0.00 0.00 0.00 0.00 51.96 52.58 2wbq s ALA 86 Cb 0.07 0.77 -0.01 0.00 0.00 0.00 0.00 23.12 23.95 2wbq s ALA 86 CO 0.71 -0.74 -0.05 -0.51 0.00 0.00 0.00 175.76 175.18 2wbq s LEU 87 N -2.62 2.94 -0.13 0.00 1.02 -0.03 -1.18 118.68 118.67 2wbq s LEU 87 Ca 0.01 -0.34 0.02 0.00 0.02 0.00 0.00 54.13 53.84 2wbq s LEU 87 Cb -0.01 -1.73 0.00 0.00 0.02 0.00 0.00 46.19 44.47 2wbq s LEU 87 CO -0.11 0.03 -0.21 -0.69 0.02 0.00 0.00 176.35 175.39 2wbq s VAL 88 N 1.20 2.25 -0.25 -1.59 1.01 0.32 -0.36 120.40 122.97 2wbq s VAL 88 Ca 0.02 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 2wbq s VAL 88 Cb -0.14 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.37 2wbq s VAL 88 CO -0.01 0.54 -0.07 -0.69 0.00 0.00 0.00 175.10 174.87 2wbq s VAL 89 N 0.65 2.72 0.15 2.92 1.01 0.39 -0.70 120.40 127.54 2wbq s VAL 89 Ca -0.10 -1.14 -0.01 0.00 0.00 0.00 0.00 61.98 60.73 2wbq s VAL 89 Cb -0.16 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 2wbq s VAL 89 CO 0.02 0.17 0.34 -0.13 0.00 0.00 0.00 175.10 175.50 2wbq s ARG 90 N 1.28 3.52 0.00 2.72 1.81 0.13 -0.88 118.95 127.54 2wbq s ARG 90 Ca -0.01 -0.31 0.00 0.00 -1.72 0.00 0.00 55.73 53.69 2wbq s ARG 90 Cb -0.17 -2.89 0.00 0.00 -0.45 0.00 0.00 34.95 31.44 2wbq s ARG 90 CO -0.05 0.47 0.00 0.41 -0.68 0.00 0.00 175.30 175.45 2wbq n GLY 91 N -0.24 1.14 3.68 -3.53 0.00 -1.26 -1.37 105.19 103.61 2wbq n GLY 91 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 2wbq n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wbq s ASN 92 N -2.00 7.20 0.36 1.61 0.01 -1.10 -4.78 114.94 116.24 2wbq s ASN 92 Ca 0.00 1.50 -0.28 0.00 -0.71 0.00 0.00 52.86 53.37 2wbq s ASN 92 Cb 0.00 -2.55 -0.10 0.00 0.41 0.00 0.00 41.25 39.01 2wbq s ASN 92 CO 0.00 -0.51 1.27 -2.16 -1.51 0.00 0.00 177.10 174.18 2wbq s PRO 93 N 2.35 4.24 -0.04 -0.60 0.04 -1.26 -4.14 135.00 135.59 2wbq s PRO 93 Ca 0.47 2.11 -0.00 0.00 0.04 0.00 0.00 61.00 63.62 2wbq s PRO 93 Cb -0.18 -2.95 0.03 0.00 0.04 0.00 0.00 34.50 31.45 2wbq s PRO 93 CO 0.15 -0.25 0.01 0.08 0.04 0.00 0.00 177.00 177.03 2wbq s VAL 94 N -1.21 0.16 -0.36 -0.36 1.01 -1.26 -4.96 120.40 113.42 2wbq s VAL 94 Ca 0.52 0.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.52 2wbq s VAL 94 Cb -0.37 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 35.72 2wbq s VAL 94 CO 0.49 0.17 0.23 -0.62 0.00 0.00 0.00 175.10 175.37 2wbq s ASP 95 N 1.36 5.90 0.49 3.32 -1.08 -1.26 -4.98 116.67 120.42 2wbq s ASP 95 Ca -0.05 -0.69 0.14 0.00 -0.52 0.00 0.00 52.55 51.43 2wbq s ASP 95 Cb -0.13 -2.09 1.16 0.00 -1.46 0.00 0.00 42.92 40.40 2wbq s ASP 95 CO -0.02 -0.32 2.11 0.44 0.52 0.00 0.00 175.17 177.90 2wbq h ASP 96 N 8.49 0.14 -0.35 -0.34 3.32 -1.96 -0.02 116.42 125.70 2wbq h ASP 96 Ca -0.29 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.68 2wbq h ASP 96 Cb 1.13 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 2wbq h ASP 96 CO 0.66 0.10 -0.06 0.00 -1.72 0.00 0.00 179.24 178.22 2wbq h ALA 97 N 1.91 0.48 -0.40 3.45 0.00 -1.93 -2.07 119.26 120.70 2wbq h ALA 97 Ca 0.06 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 2wbq h ALA 97 Cb 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2wbq h ALA 97 CO -0.01 0.30 -0.27 0.00 0.00 0.00 0.00 179.25 179.27 2wbq h ALA 98 N 0.83 0.77 -0.63 0.00 0.00 -1.79 -3.23 119.26 115.21 2wbq h ALA 98 Ca 0.09 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2wbq h ALA 98 Cb 0.56 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2wbq h ALA 98 CO 0.03 0.65 0.33 1.25 0.00 0.00 0.00 179.25 181.52 2wbq h LEU 99 N 0.71 0.79 0.00 0.00 5.85 -0.91 -3.38 115.31 118.39 2wbq h LEU 99 Ca 0.09 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2wbq h LEU 99 Cb 0.81 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2wbq h LEU 99 CO 0.07 0.67 0.00 0.61 -0.34 0.00 0.00 178.44 179.45 2wbq n GLY 100 N -1.02 -0.78 3.77 3.75 0.00 -0.79 -4.14 105.19 105.97 2wbq n GLY 100 Ca 0.04 -1.71 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 2wbq n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wbq s SER 101 N -1.58 5.39 0.13 1.61 0.01 -1.26 -4.95 113.70 113.05 2wbq s SER 101 Ca 0.00 2.20 -0.31 0.00 1.31 0.00 0.00 55.95 59.14 2wbq s SER 101 Cb 0.00 -2.58 -0.10 0.00 0.21 0.00 0.00 66.02 63.55 2wbq s SER 101 CO 0.00 -1.45 1.72 -0.89 0.41 0.00 0.00 173.24 173.03 2wbq s THR 102 N -1.86 2.57 0.80 1.44 2.01 0.27 -4.97 115.64 115.89 2wbq s THR 102 Ca 0.73 0.22 -0.14 0.00 0.31 0.00 0.00 61.69 62.82 2wbq s THR 102 Cb -0.25 -3.14 0.08 0.00 0.01 0.00 0.00 72.50 69.19 2wbq s THR 102 CO 0.32 0.01 1.21 -2.84 -0.69 0.00 0.00 174.62 172.63 2wbq s PRO 103 N 2.10 1.68 0.04 4.92 0.02 -1.26 -4.73 135.00 137.77 2wbq s PRO 103 Ca 0.76 1.78 0.27 0.00 0.02 0.00 0.00 61.00 63.83 2wbq s PRO 103 Cb -0.45 -1.78 0.81 0.00 0.02 0.00 0.00 34.50 33.10 2wbq s PRO 103 CO 0.33 -2.19 1.65 1.33 -0.33 0.00 0.00 177.00 177.79 2wbq n VAL 104 N -3.22 0.12 -3.51 3.83 0.24 -1.26 -4.89 118.33 109.64 2wbq n VAL 104 Ca 0.14 -0.07 -0.14 0.00 -2.04 0.00 0.00 64.34 62.22 2wbq n VAL 104 Cb 0.50 -0.19 -0.04 0.00 -1.47 0.00 0.00 33.84 32.64 2wbq n VAL 104 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2wbq s HIS 105 N -3.03 -0.53 0.45 6.34 5.65 -1.26 -4.54 115.29 118.37 2wbq s HIS 105 Ca 0.11 0.60 0.16 0.00 0.25 0.00 0.00 55.06 56.19 2wbq s HIS 105 Cb 0.17 0.44 1.09 0.00 -1.18 0.00 0.00 32.58 33.09 2wbq s HIS 105 CO 0.62 -0.71 2.02 0.11 -0.65 0.00 0.00 174.74 176.13 2wbq h TRP 106 N 2.57 0.00 -0.91 3.88 5.08 -1.92 -3.14 115.95 121.51 2wbq h TRP 106 Ca -0.31 0.00 0.05 0.00 1.08 0.00 0.00 58.89 59.71 2wbq h TRP 106 Cb 1.23 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 27.33 2wbq h TRP 106 CO 0.32 0.16 0.58 0.00 -1.28 0.00 0.00 178.44 178.23 2wbq h ARG 107 N 0.00 1.07 -0.57 0.12 3.08 -1.99 -1.66 114.38 114.43 2wbq h ARG 107 Ca -0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2wbq h ARG 107 Cb 0.30 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2wbq h ARG 107 CO 0.02 0.71 0.00 0.25 -1.07 0.00 0.00 179.97 179.88 2wbq n THR 108 N -4.54 2.50 1.50 2.04 -2.24 -1.19 -4.55 114.28 107.80 2wbq n THR 108 Ca 0.12 -1.39 0.13 0.00 -2.27 0.00 0.00 64.05 60.65 2wbq n THR 108 Cb 0.12 -0.17 0.53 0.00 -2.10 0.00 0.00 70.33 68.72 2wbq n THR 108 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wbq n ALA 109 N 0.67 2.57 -1.98 6.98 0.00 -0.63 -4.38 120.51 123.75 2wbq n ALA 109 Ca 0.27 -0.43 -0.41 0.00 0.00 0.00 0.00 53.44 52.86 2wbq n ALA 109 Cb 1.10 -1.18 -0.00 0.00 0.00 0.00 0.00 19.45 19.36 2wbq n ALA 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wbq n ARG 110 N 0.08 3.60 -2.77 0.00 1.74 -1.26 -4.92 116.66 113.13 2wbq n ARG 110 Ca 0.19 -3.10 -0.32 0.00 -0.77 0.00 0.00 57.85 53.85 2wbq n ARG 110 Cb 0.32 -2.95 -0.05 0.00 -1.02 0.00 0.00 32.46 28.76 2wbq n ARG 110 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2wbq s THR 111 N 1.08 4.58 0.38 0.55 -4.23 -1.26 -4.95 115.64 111.78 2wbq s THR 111 Ca 0.48 1.11 0.07 0.00 -1.18 0.00 0.00 61.69 62.17 2wbq s THR 111 Cb 0.13 -3.66 0.29 0.00 1.34 0.00 0.00 72.50 70.60 2wbq s THR 111 CO -0.05 -0.44 1.99 -0.65 -0.54 0.00 0.00 174.62 174.93 2wbq h PRO 112 N 1.56 0.66 0.00 3.99 0.11 -1.93 -1.61 132.00 134.78 2wbq h PRO 112 Ca -0.48 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 2wbq h PRO 112 Cb 1.18 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2wbq h PRO 112 CO 0.63 0.43 -0.21 0.78 -0.21 0.00 0.00 178.00 179.42 2wbq h GLY 113 N 0.68 0.00 0.11 -0.55 0.00 -1.74 -2.64 103.07 98.94 2wbq h GLY 113 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2wbq h GLY 113 CO -0.08 0.00 -0.48 -1.14 0.00 0.00 0.00 176.54 174.85 2wbq n SER 114 N -3.97 1.11 0.01 0.19 3.41 -0.65 -4.41 113.62 109.31 2wbq n SER 114 Ca -0.02 -0.89 -0.12 0.00 -0.26 0.00 0.00 58.87 57.58 2wbq n SER 114 Cb 0.29 0.37 -0.08 0.00 -0.26 0.00 0.00 64.21 64.53 2wbq n SER 114 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2wbq h ARG 115 N 1.00 0.03 -0.93 4.33 2.43 -1.05 -1.84 114.38 118.35 2wbq h ARG 115 Ca 0.00 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 2wbq h ARG 115 Cb 0.56 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.04 2wbq h ARG 115 CO 0.00 0.24 0.61 -1.35 -1.51 0.00 0.00 179.97 177.96 2wbq h PRO 116 N -0.18 1.07 -0.17 0.20 0.11 -1.81 -1.74 132.00 129.47 2wbq h PRO 116 Ca 0.01 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.97 2wbq h PRO 116 Cb 0.22 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 2wbq h PRO 116 CO -0.00 0.71 -0.25 -0.07 -0.21 0.00 0.00 178.00 178.17 2wbq h LEU 117 N 1.10 0.31 -0.61 2.35 3.38 -1.78 -0.33 115.31 119.74 2wbq h LEU 117 Ca 0.39 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 2wbq h LEU 117 Cb 0.15 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2wbq h LEU 117 CO -0.14 0.57 0.27 0.28 0.09 0.00 0.00 178.44 179.51 2wbq h SER 118 N 0.29 0.81 -0.84 -0.43 0.02 -0.50 -0.87 113.55 112.02 2wbq h SER 118 Ca 0.04 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 2wbq h SER 118 Cb 0.60 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 2wbq h SER 118 CO 0.04 0.73 0.39 -0.26 -1.14 0.00 0.00 176.83 176.59 2wbq h PHE 119 N 0.83 1.23 -0.20 3.45 -1.00 -0.92 -2.26 116.94 118.07 2wbq h PHE 119 Ca 0.21 -0.07 -0.00 0.00 2.81 0.00 0.00 57.97 60.92 2wbq h PHE 119 Cb 0.15 -0.38 -0.01 0.00 3.61 0.00 0.00 35.95 39.32 2wbq h PHE 119 CO 0.00 0.90 0.12 1.25 -1.61 0.00 0.00 178.31 178.97 2wbq h LEU 120 N 1.21 0.25 -0.69 1.54 5.85 -0.74 -0.88 115.31 121.85 2wbq h LEU 120 Ca 0.29 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.97 2wbq h LEU 120 Cb 0.14 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 2wbq h LEU 120 CO -0.03 0.25 0.43 0.25 -0.34 0.00 0.00 178.44 179.00 2wbq h LEU 121 N 0.23 0.70 -0.87 2.25 5.85 -0.98 -1.49 115.31 121.00 2wbq h LEU 121 Ca 0.07 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 2wbq h LEU 121 Cb 0.05 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2wbq h LEU 121 CO -0.01 0.48 0.29 0.24 -0.34 0.00 0.00 178.44 179.10 2wbq h MET 122 N 0.83 1.12 -0.05 1.25 2.86 -0.97 -0.26 114.93 119.71 2wbq h MET 122 Ca 0.28 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2wbq h MET 122 Cb 0.04 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.52 2wbq h MET 122 CO -0.12 0.91 0.02 -0.07 1.06 0.00 0.00 176.91 178.71 2wbq h LEU 123 N 1.09 0.07 -0.58 1.22 3.38 -0.65 -1.41 115.31 118.44 2wbq h LEU 123 Ca 0.25 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.11 2wbq h LEU 123 Cb 0.21 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 2wbq h LEU 123 CO -0.02 0.22 0.29 1.88 0.09 0.00 0.00 178.44 180.90 2wbq h TYR 124 N -0.09 0.53 -0.81 1.13 0.05 -1.13 -2.56 116.97 114.10 2wbq h TYR 124 Ca 0.02 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.85 2wbq h TYR 124 Cb 0.18 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 37.72 2wbq h TYR 124 CO -0.02 0.24 0.53 0.00 -1.05 0.00 0.00 178.16 177.86 2wbq h ALA 125 N 1.32 1.48 0.00 3.88 0.00 -0.85 -2.05 119.26 123.04 2wbq h ALA 125 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2wbq h ALA 125 Cb 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2wbq h ALA 125 CO -0.19 0.45 0.00 0.78 0.00 0.00 0.00 179.25 180.29 2wbq h GLY 126 N 1.03 0.00 2.00 0.00 0.00 -0.82 0.36 103.07 105.63 2wbq h GLY 126 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2wbq h GLY 126 CO -0.08 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.87 2wbq h LEU 127 N 0.00 0.00 0.00 3.11 3.38 -1.36 -3.35 115.31 117.09 2wbq h LEU 127 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2wbq h LEU 127 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2wbq h LEU 127 CO 0.00 0.00 -1.83 0.18 0.09 0.00 0.00 178.44 176.88 2wbq n LEU 128 N -3.08 0.00 0.00 1.67 4.77 0.07 -4.84 117.00 115.58 2wbq n LEU 128 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2wbq n LEU 128 Cb 0.43 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2wbq n LEU 128 CO 0.31 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2wbq n GLY 129 N 1.75 -0.52 3.63 -0.72 0.00 -0.94 -4.72 105.19 103.66 2wbq n GLY 129 Ca -0.10 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.63 2wbq n GLY 129 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wbq s ASP 130 N -4.00 6.28 0.45 1.61 1.01 0.71 -4.35 116.67 118.38 2wbq s ASP 130 Ca 0.00 0.33 -0.15 0.00 0.71 0.00 0.00 52.55 53.43 2wbq s ASP 130 Cb 0.00 -2.21 -0.08 0.00 1.01 0.00 0.00 42.92 41.64 2wbq s ASP 130 CO 0.00 -0.13 0.89 0.68 0.21 0.00 0.00 175.17 176.82 2wbq s VAL 131 N 1.79 4.60 0.19 -1.27 -7.23 -1.26 -0.71 120.40 116.50 2wbq s VAL 131 Ca 0.15 1.06 -0.22 0.00 -1.81 0.00 0.00 61.98 61.17 2wbq s VAL 131 Cb -0.15 -3.69 0.06 0.00 0.56 0.00 0.00 36.38 33.15 2wbq s VAL 131 CO 0.09 -0.52 0.61 0.72 -0.31 0.00 0.00 175.10 175.69 2wbq s PHE 132 N -2.40 -0.43 0.19 2.82 -0.12 -0.80 -4.85 117.98 112.40 2wbq s PHE 132 Ca 0.57 0.15 0.01 0.00 -0.05 0.00 0.00 56.93 57.60 2wbq s PHE 132 Cb -0.10 0.57 -0.00 0.00 -0.63 0.00 0.00 43.02 42.86 2wbq s PHE 132 CO 0.26 -0.93 0.03 0.41 -0.05 0.00 0.00 175.22 174.94 2wbq n GLY 133 N -0.39 3.86 3.12 1.99 0.00 0.95 -3.90 105.19 110.82 2wbq n GLY 133 Ca -0.14 -2.15 -0.27 0.00 0.00 0.00 0.00 46.02 43.46 2wbq n GLY 133 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wbq s TRP 134 N -1.93 1.78 0.56 1.61 0.52 -1.26 -0.47 118.94 119.75 2wbq s TRP 134 Ca 0.04 -0.60 0.24 0.00 0.02 0.00 0.00 56.10 55.80 2wbq s TRP 134 Cb 0.00 -1.23 1.52 0.00 -1.15 0.00 0.00 33.47 32.61 2wbq s TRP 134 CO 0.03 -0.24 2.12 0.00 0.02 0.00 0.00 176.95 178.88 2wbq h ALA 135 N 6.54 1.95 -0.31 0.98 0.00 -1.44 -1.92 119.26 125.06 2wbq h ALA 135 Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2wbq h ALA 135 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2wbq h ALA 135 CO 0.48 -0.22 0.00 0.25 0.00 0.00 0.00 179.25 179.75 2wbq n THR 136 N -4.15 0.40 -4.00 0.00 -2.24 -1.26 -3.89 114.28 99.14 2wbq n THR 136 Ca 0.01 -0.61 -0.26 0.00 -2.27 0.00 0.00 64.05 60.92 2wbq n THR 136 Cb 0.27 0.77 -0.17 0.00 -2.10 0.00 0.00 70.33 69.09 2wbq n THR 136 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2wbq s GLN 137 N -1.60 1.44 -1.45 -0.78 -0.21 -0.73 -4.22 119.66 112.12 2wbq s GLN 137 Ca 0.36 -0.24 -0.03 0.00 0.02 0.00 0.00 55.36 55.47 2wbq s GLN 137 Cb 0.21 -1.48 0.00 0.00 1.00 0.00 0.00 33.01 32.74 2wbq s GLN 137 CO 0.29 -0.22 0.26 1.04 -2.12 0.00 0.00 175.29 174.54 2wbq n GLN 138 N 4.77 -1.97 -2.34 2.91 6.02 -1.26 -1.37 117.38 124.15 2wbq n GLN 138 Ca -0.14 0.24 -0.21 0.00 -0.01 0.00 0.00 57.00 56.89 2wbq n GLN 138 Cb 0.50 -3.96 -0.02 0.00 1.02 0.00 0.00 30.24 27.79 2wbq n GLN 138 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2wbq n ASP 139 N -2.88 -5.84 -0.43 1.08 8.00 -1.26 -1.85 116.55 113.36 2wbq n ASP 139 Ca -0.30 0.03 -0.06 0.00 0.71 0.00 0.00 54.79 55.17 2wbq n ASP 139 Cb 0.68 -4.89 -0.02 0.00 -0.02 0.00 0.00 41.12 36.87 2wbq n ASP 139 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wbq n GLY 140 N -0.96 0.79 3.76 0.44 0.00 -0.47 -5.00 105.19 103.75 2wbq n GLY 140 Ca -0.24 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 2wbq n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wbq s ARG 141 N -2.07 3.48 -0.16 1.61 0.52 -0.77 -4.52 118.95 117.04 2wbq s ARG 141 Ca 0.00 2.26 -0.23 0.00 -0.52 0.00 0.00 55.73 57.25 2wbq s ARG 141 Cb 0.00 -2.48 -0.20 0.00 0.52 0.00 0.00 34.95 32.80 2wbq s ARG 141 CO 0.00 -0.93 0.44 0.28 0.02 0.00 0.00 175.30 175.11 2wbq h VAL 142 N 1.91 1.20 -3.49 3.52 2.07 -1.91 -3.40 116.25 116.15 2wbq h VAL 142 Ca -0.51 -2.09 -0.60 0.00 0.82 0.00 0.00 66.70 64.32 2wbq h VAL 142 Cb 1.28 2.46 -0.10 0.00 -1.52 0.00 0.00 31.29 33.40 2wbq h VAL 142 CO 0.59 0.41 0.46 -0.69 0.02 0.00 0.00 177.57 178.36 2wbq s VAL 143 N -2.22 4.69 0.49 2.57 1.01 -1.26 -4.41 120.40 121.28 2wbq s VAL 143 Ca -0.21 1.05 0.07 0.00 0.00 0.00 0.00 61.98 62.89 2wbq s VAL 143 Cb 0.01 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 32.16 2wbq s VAL 143 CO 0.57 -0.43 0.41 0.42 0.00 0.00 0.00 175.10 176.06 2wbq s THR 144 N 3.20 2.08 -0.03 3.92 -4.23 0.10 -4.91 115.64 115.77 2wbq s THR 144 Ca 0.34 -1.42 0.06 0.00 -1.18 0.00 0.00 61.69 59.49 2wbq s THR 144 Cb -0.13 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.20 2wbq s THR 144 CO 0.17 0.00 -0.22 -1.81 -0.54 0.00 0.00 174.62 172.22 2wbq s ASP 145 N -4.23 2.61 -0.24 3.99 1.01 -1.26 -0.93 116.67 117.61 2wbq s ASP 145 Ca 0.42 -0.41 -0.02 0.00 0.71 0.00 0.00 52.55 53.24 2wbq s ASP 145 Cb -0.02 -0.43 0.02 0.00 1.01 0.00 0.00 42.92 43.50 2wbq s ASP 145 CO 0.25 0.25 -0.06 -0.69 0.21 0.00 0.00 175.17 175.13 2wbq s VAL 146 N -0.37 2.94 0.03 -1.27 1.01 0.15 -4.94 120.40 117.95 2wbq s VAL 146 Ca 0.05 -0.92 -0.27 0.00 0.00 0.00 0.00 61.98 60.83 2wbq s VAL 146 Cb -0.10 -2.45 0.08 0.00 0.00 0.00 0.00 36.38 33.91 2wbq s VAL 146 CO 0.00 0.25 0.72 -1.48 0.00 0.00 0.00 175.10 174.59 2wbq s LEU 147 N 1.35 -0.54 0.07 3.92 0.05 -1.26 -0.91 118.68 121.37 2wbq s LEU 147 Ca 0.02 0.27 -0.30 0.00 0.05 0.00 0.00 54.13 54.17 2wbq s LEU 147 Cb -0.16 2.40 -0.05 0.00 -2.05 0.00 0.00 46.19 46.33 2wbq s LEU 147 CO -0.05 -0.73 1.03 -2.16 -0.55 0.00 0.00 176.35 173.90 2wbq s PRO 148 N -2.54 4.59 -0.21 1.48 0.04 -1.26 -4.15 135.00 132.94 2wbq s PRO 148 Ca -0.02 1.54 -0.05 0.00 0.04 0.00 0.00 61.00 62.50 2wbq s PRO 148 Cb -0.01 -3.38 -0.02 0.00 0.04 0.00 0.00 34.50 31.13 2wbq s PRO 148 CO -0.03 0.02 0.00 0.42 0.04 0.00 0.00 177.00 177.45 2wbq s ILE 149 N 0.50 3.91 0.23 0.56 1.01 -0.78 -4.85 121.20 121.78 2wbq s ILE 149 Ca 0.51 -0.32 -0.32 0.00 0.00 0.00 0.00 60.65 60.52 2wbq s ILE 149 Cb -0.25 -2.78 -0.12 0.00 0.01 0.00 0.00 42.46 39.33 2wbq s ILE 149 CO 0.30 0.42 1.66 1.17 0.00 0.00 0.00 174.94 178.49 2wbq n LYS 150 N 4.39 2.68 0.00 2.79 4.81 -1.26 -0.34 118.16 131.23 2wbq n LYS 150 Ca -0.17 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 2wbq n LYS 150 Cb 0.52 -2.78 0.00 0.00 0.02 0.00 0.00 35.03 32.79 2wbq n LYS 150 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wbq n GLY 151 N 3.33 2.82 1.69 3.14 0.00 -1.26 -4.90 105.19 110.01 2wbq n GLY 151 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 2wbq n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wbq n GLY 152 N -2.00 5.01 0.21 -0.02 0.00 0.54 -4.72 105.19 104.20 2wbq n GLY 152 Ca 0.00 -1.42 -0.06 0.00 0.00 0.00 0.00 46.02 44.55 2wbq n GLY 152 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2wbq h GLU 153 N 1.20 0.41 -0.71 1.61 3.07 -1.82 -3.27 114.58 115.08 2wbq h GLU 153 Ca 0.41 -0.22 -0.48 0.00 -0.50 0.00 0.00 59.36 58.57 2wbq h GLU 153 Cb 1.93 0.01 -0.29 0.00 -0.84 0.00 0.00 28.75 29.56 2wbq h GLU 153 CO 0.77 0.79 -0.07 0.72 -1.40 0.00 0.00 179.01 179.82 2wbq n HIS 154 N -4.00 2.40 -2.97 4.33 8.25 -1.26 -2.00 115.22 119.98 2wbq n HIS 154 Ca -0.02 -2.26 -0.19 0.00 -0.26 0.00 0.00 57.72 54.99 2wbq n HIS 154 Cb 0.53 -0.72 0.05 0.00 1.12 0.00 0.00 29.99 30.97 2wbq n HIS 154 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2wbq s THR 155 N -4.22 2.37 -1.37 1.59 -4.23 -1.23 -4.96 115.64 103.59 2wbq s THR 155 Ca 0.53 -0.95 0.19 0.00 -1.18 0.00 0.00 61.69 60.29 2wbq s THR 155 Cb 0.44 -2.42 0.70 0.00 1.34 0.00 0.00 72.50 72.56 2wbq s THR 155 CO 0.01 0.00 1.60 0.18 -0.54 0.00 0.00 174.62 175.87 2wbq n LEU 156 N -2.21 4.51 -4.77 4.79 4.77 -1.26 -4.74 117.00 118.08 2wbq n LEU 156 Ca 0.13 -2.27 -0.24 0.00 -0.03 0.00 0.00 56.01 53.60 2wbq n LEU 156 Cb 0.61 -0.56 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 2wbq n LEU 156 CO 0.40 0.84 -0.12 0.68 -1.33 0.00 0.00 177.39 177.86 2wbq s VAL 157 N -1.65 2.34 -1.31 4.08 -7.23 -1.26 -4.74 120.40 110.63 2wbq s VAL 157 Ca 0.50 -1.63 0.18 0.00 -1.81 0.00 0.00 61.98 59.23 2wbq s VAL 157 Cb 0.31 -2.97 0.27 0.00 0.56 0.00 0.00 36.38 34.55 2wbq s VAL 157 CO 0.26 0.00 1.56 -1.54 -0.31 0.00 0.00 175.10 175.07 2wbq n SER 158 N -1.31 0.00 -0.62 4.85 3.41 -1.26 -1.49 113.62 117.19 2wbq n SER 158 Ca -0.00 0.16 0.07 0.00 -0.26 0.00 0.00 58.87 58.84 2wbq n SER 158 Cb 0.64 -0.35 0.23 0.00 -0.26 0.00 0.00 64.21 64.47 2wbq n SER 158 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2wbq n SER 159 N -1.35 1.82 -4.19 4.04 3.41 -1.26 -4.36 113.62 111.73 2wbq n SER 159 Ca 0.07 -1.90 -0.29 0.00 -0.26 0.00 0.00 58.87 56.49 2wbq n SER 159 Cb 0.16 -0.19 0.23 0.00 -0.26 0.00 0.00 64.21 64.15 2wbq n SER 159 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2wbq s SER 160 N -1.18 1.20 0.02 4.04 1.04 -0.56 -1.86 113.70 116.40 2wbq s SER 160 Ca 0.26 0.99 0.00 0.00 0.48 0.00 0.00 55.95 57.69 2wbq s SER 160 Cb 0.14 -1.50 0.00 0.00 0.10 0.00 0.00 66.02 64.76 2wbq s SER 160 CO 0.19 -3.99 0.00 -1.54 0.98 0.00 0.00 173.24 168.88 2wbq n SER 161 N -4.72 -0.16 0.12 7.02 3.41 -0.85 -4.66 113.62 113.77 2wbq n SER 161 Ca 0.08 0.04 0.03 0.00 -0.26 0.00 0.00 58.87 58.77 2wbq n SER 161 Cb 0.58 0.48 0.42 0.00 -0.26 0.00 0.00 64.21 65.44 2wbq n SER 161 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2wbq h ARG 162 N 0.00 0.25 -5.64 4.33 3.08 -1.25 -0.16 114.38 114.99 2wbq h ARG 162 Ca 0.00 -0.05 -0.58 0.00 0.07 0.00 0.00 59.98 59.42 2wbq h ARG 162 Cb 0.00 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 29.92 2wbq h ARG 162 CO 0.00 0.33 -0.16 -1.14 -1.07 0.00 0.00 179.97 177.93 2wbq s GLN 163 N -4.87 4.29 0.36 0.04 0.74 -0.89 -4.49 119.66 114.84 2wbq s GLN 163 Ca -0.06 0.36 -0.27 0.00 0.05 0.00 0.00 55.36 55.45 2wbq s GLN 163 Cb 0.16 -3.46 -0.12 0.00 1.10 0.00 0.00 33.01 30.69 2wbq s GLN 163 CO 0.72 0.11 1.18 -1.91 -0.55 0.00 0.00 175.29 174.84 2wbq n GLU 164 N 3.89 1.80 -2.75 1.67 2.13 -1.26 -4.66 120.64 121.47 2wbq n GLU 164 Ca -0.08 0.64 -0.43 0.00 0.66 0.00 0.00 57.16 57.95 2wbq n GLU 164 Cb 0.51 -2.19 -0.03 0.00 0.27 0.00 0.00 31.44 30.00 2wbq n GLU 164 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2wbq s LEU 165 N -0.76 3.87 0.68 4.31 2.96 -0.07 -4.91 118.68 124.77 2wbq s LEU 165 Ca 0.58 0.09 -0.16 0.00 -0.22 0.00 0.00 54.13 54.43 2wbq s LEU 165 Cb -0.58 -3.19 0.01 0.00 0.50 0.00 0.00 46.19 42.93 2wbq s LEU 165 CO 0.60 -1.19 1.19 -0.83 -1.32 0.00 0.00 176.35 174.80 2wbq s GLY 166 N 2.51 2.41 0.34 7.98 0.00 -1.26 -1.75 107.32 117.54 2wbq s GLY 166 Ca 0.39 0.84 -0.29 0.00 0.00 0.00 0.00 44.72 45.66 2wbq s GLY 166 CO 0.26 1.23 1.41 0.66 0.00 0.00 0.00 173.10 176.67 2wbq s TRP 167 N -1.96 2.84 -0.02 1.90 1.48 -1.26 -4.52 118.94 117.40 2wbq s TRP 167 Ca 0.74 1.23 -0.29 0.00 -1.06 0.00 0.00 56.10 56.71 2wbq s TRP 167 Cb -0.28 -3.86 0.08 0.00 -1.16 0.00 0.00 33.47 28.26 2wbq s TRP 167 CO 0.41 -2.52 0.74 -3.38 -4.06 0.00 0.00 176.95 168.14 2wbq s HIS 168 N -0.90 -0.56 0.10 1.66 -3.43 -0.14 -1.63 115.29 110.40 2wbq s HIS 168 Ca 0.53 0.80 -0.31 0.00 -0.80 0.00 0.00 55.06 55.28 2wbq s HIS 168 Cb -0.43 0.46 -0.07 0.00 -1.43 0.00 0.00 32.58 31.11 2wbq s HIS 168 CO 0.55 -0.60 1.30 0.99 -2.00 0.00 0.00 174.74 174.98 2wbq s THR 169 N -1.86 3.60 0.17 -5.38 2.01 0.49 -1.91 115.64 112.76 2wbq s THR 169 Ca -0.06 1.16 -0.32 0.00 0.31 0.00 0.00 61.69 62.79 2wbq s THR 169 Cb -0.00 -3.74 -0.11 0.00 0.01 0.00 0.00 72.50 68.65 2wbq s THR 169 CO 0.02 0.10 1.76 -0.70 -0.69 0.00 0.00 174.62 175.11 2wbq s GLU 170 N 0.96 4.14 -1.43 4.92 2.56 -1.26 -2.36 118.70 126.22 2wbq s GLU 170 Ca 0.61 2.58 -0.09 0.00 0.00 0.00 0.00 54.97 58.08 2wbq s GLU 170 Cb -0.34 -3.31 0.05 0.00 2.00 0.00 0.00 34.13 32.53 2wbq s GLU 170 CO 0.30 -0.78 0.93 -0.25 -0.56 0.00 0.00 175.26 174.90 2wbq n ASP 171 N 4.74 -3.85 -0.34 -1.70 8.00 -1.26 -4.54 116.55 117.59 2wbq n ASP 171 Ca 0.17 -0.75 0.14 0.00 0.71 0.00 0.00 54.79 55.05 2wbq n ASP 171 Cb 0.37 -4.13 0.35 0.00 -0.02 0.00 0.00 41.12 37.68 2wbq n ASP 171 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wbq h ALA 172 N 0.94 1.74 -0.17 2.24 0.00 -1.80 -0.08 119.26 122.13 2wbq h ALA 172 Ca -0.59 0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.45 2wbq h ALA 172 Cb 1.37 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2wbq h ALA 172 CO 0.62 -0.12 0.22 0.27 0.00 0.00 0.00 179.25 180.23 2wbq h PHE 173 N 0.71 0.00 -3.42 0.00 -5.15 -1.89 -3.44 116.94 103.75 2wbq h PHE 173 Ca 0.58 0.00 -0.67 0.00 -0.20 0.00 0.00 57.97 57.68 2wbq h PHE 173 Cb 0.98 0.00 -0.18 0.00 0.22 0.00 0.00 35.95 36.97 2wbq h PHE 173 CO -0.00 0.00 -0.65 0.45 -2.00 0.00 0.00 178.31 176.10 2wbq s SER 174 N -5.58 4.98 0.66 -0.68 0.15 -0.05 -4.93 113.70 108.25 2wbq s SER 174 Ca -0.05 0.03 0.44 0.00 0.70 0.00 0.00 55.95 57.07 2wbq s SER 174 Cb 0.15 -1.47 2.33 0.00 -1.71 0.00 0.00 66.02 65.32 2wbq s SER 174 CO 0.51 0.32 2.34 1.55 1.20 0.00 0.00 173.24 179.16 2wbq h PRO 175 N 5.58 0.00 -0.67 5.44 0.13 -1.86 -2.80 132.00 137.83 2wbq h PRO 175 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2wbq h PRO 175 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2wbq h PRO 175 CO 0.56 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.99 2wbq n TYR 176 N -3.08 1.13 -1.19 1.56 4.01 -1.26 -4.99 117.16 113.33 2wbq n TYR 176 Ca -0.03 -0.50 -0.34 0.00 -0.16 0.00 0.00 57.90 56.87 2wbq n TYR 176 Cb 0.10 -0.11 0.11 0.00 -0.31 0.00 0.00 39.34 39.13 2wbq n TYR 176 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 2wbq n ARG 177 N 1.29 0.28 -1.78 -0.72 1.85 -1.06 -4.92 116.66 111.60 2wbq n ARG 177 Ca 0.23 0.16 -0.37 0.00 -1.00 0.00 0.00 57.85 56.87 2wbq n ARG 177 Cb 0.69 -2.30 0.05 0.00 -1.05 0.00 0.00 32.46 29.86 2wbq n ARG 177 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2wbq s ALA 178 N -2.02 2.58 0.09 2.89 0.00 -1.26 -4.95 121.76 119.09 2wbq s ALA 178 Ca 0.72 1.25 -0.11 0.00 0.00 0.00 0.00 51.96 53.82 2wbq s ALA 178 Cb -0.31 -3.55 -0.21 0.00 0.00 0.00 0.00 23.12 19.05 2wbq s ALA 178 CO 0.52 -1.47 1.20 -0.44 0.00 0.00 0.00 175.76 175.57 2wbq h ASP 179 N 0.96 0.77 -4.24 0.00 3.32 -1.11 -3.43 116.42 112.70 2wbq h ASP 179 Ca -0.51 -0.65 -0.39 0.00 0.02 0.00 0.00 57.03 55.50 2wbq h ASP 179 Cb 1.32 -0.24 -0.26 0.00 0.22 0.00 0.00 39.33 40.37 2wbq h ASP 179 CO 0.55 1.46 -0.78 -0.31 -1.72 0.00 0.00 179.24 178.44 2wbq s TYR 180 N -3.18 0.91 -0.23 4.55 2.02 -0.47 -1.03 117.35 119.91 2wbq s TYR 180 Ca -0.08 -0.27 -0.03 0.00 -0.37 0.00 0.00 57.07 56.32 2wbq s TYR 180 Cb 0.07 -0.56 0.01 0.00 -0.40 0.00 0.00 41.96 41.08 2wbq s TYR 180 CO 0.91 -0.01 -0.06 0.08 -1.57 0.00 0.00 175.55 174.90 2wbq s VAL 181 N -0.60 3.08 -0.03 0.71 1.01 -0.39 -0.83 120.40 123.36 2wbq s VAL 181 Ca 0.01 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 61.06 2wbq s VAL 181 Cb -0.06 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 2wbq s VAL 181 CO 0.00 0.32 0.42 -0.83 0.00 0.00 0.00 175.10 175.01 2wbq s GLY 182 N 1.40 2.45 -0.06 4.51 0.00 0.51 -0.48 107.32 115.65 2wbq s GLY 182 Ca 0.03 -0.22 0.01 0.00 0.00 0.00 0.00 44.72 44.55 2wbq s GLY 182 CO -0.04 0.30 -0.07 1.08 0.00 0.00 0.00 173.10 174.37 2wbq s LEU 183 N -0.63 1.37 -0.19 0.66 1.43 0.48 -0.87 118.68 120.93 2wbq s LEU 183 Ca 0.24 -0.19 -0.00 0.00 -1.03 0.00 0.00 54.13 53.14 2wbq s LEU 183 Cb -0.16 -0.60 0.01 0.00 0.03 0.00 0.00 46.19 45.47 2wbq s LEU 183 CO 0.12 -0.04 -0.16 -0.22 0.23 0.00 0.00 176.35 176.29 2wbq s LEU 184 N 0.97 2.35 -0.55 1.79 2.96 0.15 -0.61 118.68 125.74 2wbq s LEU 184 Ca -0.10 -0.57 -0.28 0.00 -0.22 0.00 0.00 54.13 52.96 2wbq s LEU 184 Cb -0.15 -1.55 0.03 0.00 0.50 0.00 0.00 46.19 45.02 2wbq s LEU 184 CO 0.00 -0.00 1.15 -0.55 -1.32 0.00 0.00 176.35 175.63 2wbq s SER 185 N 1.33 6.48 0.08 3.68 0.15 -0.23 -0.98 113.70 124.20 2wbq s SER 185 Ca 0.05 0.15 -0.10 0.00 0.70 0.00 0.00 55.95 56.75 2wbq s SER 185 Cb -0.13 -2.54 -0.25 0.00 -1.71 0.00 0.00 66.02 61.39 2wbq s SER 185 CO -0.10 -1.39 1.15 -0.07 1.20 0.00 0.00 173.24 174.03 2wbq h LEU 186 N 11.63 0.69 -7.01 3.45 3.38 -1.23 0.18 115.31 126.40 2wbq h LEU 186 Ca -0.25 -0.65 -0.06 0.00 0.09 0.00 0.00 57.88 57.02 2wbq h LEU 186 Cb 1.06 -0.22 -0.19 0.00 0.09 0.00 0.00 40.66 41.40 2wbq h LEU 186 CO 1.16 1.47 0.18 0.00 0.09 0.00 0.00 178.44 181.34 2wbq s ARG 187 N -2.94 1.05 -0.48 1.13 1.70 -1.06 -4.60 118.95 113.76 2wbq s ARG 187 Ca -0.07 0.27 0.06 0.00 -0.47 0.00 0.00 55.73 55.52 2wbq s ARG 187 Cb 0.07 0.49 0.28 0.00 -0.57 0.00 0.00 34.95 35.22 2wbq s ARG 187 CO 0.91 -0.32 1.00 -1.71 -1.08 0.00 0.00 175.30 174.10 2wbq n ASN 188 N 0.95 -2.63 0.26 -2.89 5.15 -1.26 -1.61 115.26 113.23 2wbq n ASN 188 Ca -0.19 -3.50 0.12 0.00 -0.60 0.00 0.00 54.58 50.41 2wbq n ASN 188 Cb 0.57 1.88 0.70 0.00 -0.53 0.00 0.00 39.78 42.40 2wbq n ASN 188 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2wbq h PRO 189 N 3.51 0.00 -0.52 1.20 0.13 -1.92 -1.98 132.00 132.42 2wbq h PRO 189 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2wbq h PRO 189 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2wbq h PRO 189 CO 0.23 0.13 0.00 -0.25 -0.23 0.00 0.00 178.00 177.88 2wbq n ASP 190 N -3.69 3.46 -2.51 1.44 8.00 -1.26 -4.99 116.55 116.99 2wbq n ASP 190 Ca -0.02 -1.97 -0.15 0.00 0.71 0.00 0.00 54.79 53.35 2wbq n ASP 190 Cb 0.24 -0.35 0.05 0.00 -0.02 0.00 0.00 41.12 41.05 2wbq n ASP 190 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wbq n GLY 191 N 1.21 -0.02 3.74 0.44 0.00 -0.74 -4.95 105.19 104.86 2wbq n GLY 191 Ca 0.19 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2wbq n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wbq s VAL 192 N -3.21 3.11 0.06 1.61 1.01 -1.26 -4.95 120.40 116.77 2wbq s VAL 192 Ca 0.37 0.92 -0.22 0.00 0.00 0.00 0.00 61.98 63.05 2wbq s VAL 192 Cb -0.16 -3.59 -0.06 0.00 0.00 0.00 0.00 36.38 32.57 2wbq s VAL 192 CO 0.47 0.14 0.66 0.00 0.00 0.00 0.00 175.10 176.37 2wbq s ALA 193 N 0.08 3.48 0.36 5.51 0.00 -1.26 -4.45 121.76 125.48 2wbq s ALA 193 Ca 0.57 0.15 -0.25 0.00 0.00 0.00 0.00 51.96 52.42 2wbq s ALA 193 Cb -0.37 -2.81 -0.09 0.00 0.00 0.00 0.00 23.12 19.85 2wbq s ALA 193 CO 0.39 0.23 1.04 0.99 0.00 0.00 0.00 175.76 178.41 2wbq s THR 194 N -0.58 3.76 0.09 0.00 2.01 0.05 -1.23 115.64 119.74 2wbq s THR 194 Ca 0.33 1.45 0.05 0.00 0.31 0.00 0.00 61.69 63.83 2wbq s THR 194 Cb -0.20 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 2wbq s THR 194 CO 0.21 0.11 -0.04 0.42 -0.69 0.00 0.00 174.62 174.62 2wbq s THR 195 N -1.55 3.76 0.01 -0.82 -4.23 -0.09 -0.63 115.64 112.09 2wbq s THR 195 Ca 0.54 -1.06 -0.07 0.00 -1.18 0.00 0.00 61.69 59.92 2wbq s THR 195 Cb -0.23 -2.76 -0.00 0.00 1.34 0.00 0.00 72.50 70.84 2wbq s THR 195 CO 0.30 0.15 0.13 -0.76 -0.54 0.00 0.00 174.62 173.89 2wbq s LEU 196 N -2.18 1.62 -0.12 4.79 1.43 -0.20 -0.99 118.68 123.03 2wbq s LEU 196 Ca 0.23 -0.31 -0.22 0.00 -1.03 0.00 0.00 54.13 52.81 2wbq s LEU 196 Cb -0.11 0.66 0.05 0.00 0.03 0.00 0.00 46.19 46.82 2wbq s LEU 196 CO 0.16 -0.41 0.54 0.00 0.23 0.00 0.00 176.35 176.86 2wbq s ALA 197 N -1.76 -1.35 0.50 4.21 0.00 -0.81 -0.90 121.76 121.65 2wbq s ALA 197 Ca -0.12 1.22 0.03 0.00 0.00 0.00 0.00 51.96 53.10 2wbq s ALA 197 Cb -0.06 -0.44 0.08 0.00 0.00 0.00 0.00 23.12 22.70 2wbq s ALA 197 CO -0.00 -0.29 0.60 0.41 0.00 0.00 0.00 175.76 176.48 2wbq n GLY 198 N 1.93 1.37 3.72 0.00 0.00 -1.26 -1.00 105.19 109.94 2wbq n GLY 198 Ca -0.17 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.32 2wbq n GLY 198 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wbq s VAL 199 N -1.69 2.41 -1.49 1.61 1.01 -1.24 -4.88 120.40 116.13 2wbq s VAL 199 Ca 0.43 0.28 -0.10 0.00 0.00 0.00 0.00 61.98 62.59 2wbq s VAL 199 Cb -0.03 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.18 2wbq s VAL 199 CO 0.28 0.02 2.58 -0.81 0.00 0.00 0.00 175.10 177.17 2wbq n PRO 200 N 4.05 3.69 0.25 2.72 -0.04 -1.26 -4.70 135.00 139.72 2wbq n PRO 200 Ca 0.15 -2.68 0.13 0.00 -0.04 0.00 0.00 63.50 61.06 2wbq n PRO 200 Cb 0.37 -2.89 0.62 0.00 -0.04 0.00 0.00 33.50 31.57 2wbq n PRO 200 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2wbq h LEU 201 N 7.46 0.00 -0.62 1.53 5.85 -1.94 -1.49 115.31 126.11 2wbq h LEU 201 Ca 0.73 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.45 2wbq h LEU 201 Cb 0.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2wbq h LEU 201 CO 1.73 0.13 0.00 0.47 -0.34 0.00 0.00 178.44 180.43 2wbq n ASP 202 N -3.35 0.59 0.00 1.25 8.00 -1.26 -3.77 116.55 118.00 2wbq n ASP 202 Ca -0.00 0.65 0.00 0.00 0.71 0.00 0.00 54.79 56.14 2wbq n ASP 202 Cb 0.33 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 2wbq n ASP 202 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2wbq n ASP 203 N -2.15 0.94 -4.65 -2.24 8.00 -0.61 -5.00 116.55 110.84 2wbq n ASP 203 Ca 0.02 -0.33 -0.43 0.00 0.71 0.00 0.00 54.79 54.77 2wbq n ASP 203 Cb 0.22 0.84 -0.03 0.00 -0.02 0.00 0.00 41.12 42.14 2wbq n ASP 203 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2wbq s LEU 204 N -1.87 4.08 0.79 0.64 1.43 -0.93 -5.02 118.68 117.79 2wbq s LEU 204 Ca 0.00 1.21 -0.11 0.00 -1.03 0.00 0.00 54.13 54.20 2wbq s LEU 204 Cb 0.00 -3.42 0.07 0.00 0.03 0.00 0.00 46.19 42.87 2wbq s LEU 204 CO 0.00 -0.65 1.09 1.51 0.23 0.00 0.00 176.35 178.53 2wbq s ASP 205 N 1.31 4.45 0.29 2.29 -4.77 -1.26 -4.81 116.67 114.17 2wbq s ASP 205 Ca 0.41 1.59 0.06 0.00 -3.30 0.00 0.00 52.55 51.31 2wbq s ASP 205 Cb -0.15 -2.33 0.44 0.00 -1.09 0.00 0.00 42.92 39.80 2wbq s ASP 205 CO 0.08 -2.04 1.70 -0.33 0.70 0.00 0.00 175.17 175.28 2wbq h GLU 206 N -1.13 0.26 -0.26 2.11 5.08 -1.99 -0.16 114.58 118.49 2wbq h GLU 206 Ca -0.46 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 57.76 2wbq h GLU 206 Cb 1.25 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2wbq h GLU 206 CO 0.55 0.63 0.09 -0.09 -1.00 0.00 0.00 179.01 179.19 2wbq h ARG 207 N 0.21 0.40 -0.30 2.33 2.43 -1.99 0.14 114.38 117.61 2wbq h ARG 207 Ca 0.02 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2wbq h ARG 207 Cb 0.82 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 2wbq h ARG 207 CO 0.06 0.46 0.18 1.15 -1.51 0.00 0.00 179.97 180.31 2wbq h THR 208 N 0.26 1.11 -0.43 0.20 2.02 -1.83 -1.97 112.91 112.27 2wbq h THR 208 Ca 0.08 -0.26 0.08 0.00 0.77 0.00 0.00 66.41 67.08 2wbq h THR 208 Cb 0.22 0.74 -0.07 0.00 -1.74 0.00 0.00 68.15 67.30 2wbq h THR 208 CO -0.00 0.11 0.03 0.25 0.37 0.00 0.00 175.52 176.27 2wbq h LEU 209 N 0.38 -0.12 -1.00 2.58 5.85 -0.88 -1.40 115.31 120.72 2wbq h LEU 209 Ca 0.11 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2wbq h LEU 209 Cb 0.02 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 2wbq h LEU 209 CO -0.02 -0.02 0.60 -0.78 -0.34 0.00 0.00 178.44 177.88 2wbq h ASP 210 N 0.14 1.13 -0.61 1.25 3.58 -0.56 -2.06 116.42 119.29 2wbq h ASP 210 Ca 0.21 -0.05 -0.09 0.00 0.42 0.00 0.00 57.03 57.52 2wbq h ASP 210 Cb 0.29 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 2wbq h ASP 210 CO -0.33 0.84 0.04 0.58 -2.88 0.00 0.00 179.24 177.50 2wbq h VAL 211 N 1.31 1.26 0.00 2.25 2.07 -0.89 -2.66 116.25 119.59 2wbq h VAL 211 Ca 0.35 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 2wbq h VAL 211 Cb -0.10 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2wbq h VAL 211 CO -0.07 0.40 -0.14 -0.07 0.02 0.00 0.00 177.57 177.72 2wbq h LEU 212 N 0.98 0.00 0.00 2.57 3.38 -0.73 -1.37 115.31 120.14 2wbq h LEU 212 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2wbq h LEU 212 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2wbq h LEU 212 CO 0.02 0.14 0.00 0.49 0.09 0.00 0.00 178.44 179.18 2wbq n PHE 213 N -3.66 0.00 -3.48 1.13 3.72 -0.83 -1.32 117.46 113.02 2wbq n PHE 213 Ca -0.02 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.13 2wbq n PHE 213 Cb 0.26 -0.41 -0.02 0.00 -0.94 0.00 0.00 39.48 38.37 2wbq n PHE 213 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2wbq s GLN 214 N -2.82 3.52 -1.33 -1.08 -0.21 -0.52 -4.82 119.66 112.40 2wbq s GLN 214 Ca 0.19 -0.29 -0.13 0.00 0.02 0.00 0.00 55.36 55.15 2wbq s GLN 214 Cb 0.19 -2.72 0.11 0.00 1.00 0.00 0.00 33.01 31.59 2wbq s GLN 214 CO 0.48 0.24 1.89 0.39 -2.12 0.00 0.00 175.29 176.17 2wbq n GLU 215 N -1.31 3.25 -0.52 2.91 1.02 -1.26 -3.78 120.64 120.95 2wbq n GLU 215 Ca -0.04 -3.24 0.03 0.00 -0.02 0.00 0.00 57.16 53.89 2wbq n GLU 215 Cb 0.55 -3.17 0.05 0.00 -0.02 0.00 0.00 31.44 28.85 2wbq n GLU 215 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2wbq n ARG 216 N 5.78 0.43 -4.20 3.49 1.74 -1.06 -4.41 116.66 118.43 2wbq n ARG 216 Ca 0.45 -1.67 -0.13 0.00 -0.77 0.00 0.00 57.85 55.72 2wbq n ARG 216 Cb 0.40 -0.77 -0.10 0.00 -1.02 0.00 0.00 32.46 30.97 2wbq n ARG 216 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2wbq s PHE 217 N -0.95 1.09 0.08 -1.55 0.08 -0.61 -0.75 117.98 115.38 2wbq s PHE 217 Ca 0.15 -0.75 0.09 0.00 0.12 0.00 0.00 56.93 56.54 2wbq s PHE 217 Cb 0.14 -0.59 -0.03 0.00 -0.57 0.00 0.00 43.02 41.98 2wbq s PHE 217 CO -0.02 -0.00 -0.23 -0.51 -0.10 0.00 0.00 175.22 174.36 2wbq s LEU 218 N -2.82 2.25 0.00 -0.37 1.43 0.77 -0.53 118.68 119.41 2wbq s LEU 218 Ca 0.11 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 2wbq s LEU 218 Cb 0.01 -1.03 0.00 0.00 0.03 0.00 0.00 46.19 45.20 2wbq s LEU 218 CO -0.01 0.14 0.00 2.30 0.23 0.00 0.00 176.35 179.01 2wbq n ILE 219 N 1.38 0.00 -3.58 -0.59 -5.35 -1.26 -1.41 119.36 108.55 2wbq n ILE 219 Ca -0.18 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.22 2wbq n ILE 219 Cb 0.53 -0.36 -0.04 0.00 -1.74 0.00 0.00 39.64 38.03 2wbq n ILE 219 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2wbq s ARG 220 N 1.24 0.49 0.44 6.28 0.52 -1.26 -4.81 118.95 121.87 2wbq s ARG 220 Ca 0.00 0.01 -0.25 0.00 -0.52 0.00 0.00 55.73 54.97 2wbq s ARG 220 Cb 0.00 0.23 -0.08 0.00 0.52 0.00 0.00 34.95 35.62 2wbq s ARG 220 CO 0.00 -0.18 1.39 -1.25 0.02 0.00 0.00 175.30 175.29 2wbq s PRO 221 N -1.61 3.73 0.86 3.54 0.04 -1.26 -4.40 135.00 135.89 2wbq s PRO 221 Ca 0.03 2.34 -0.12 0.00 0.04 0.00 0.00 61.00 63.29 2wbq s PRO 221 Cb -0.01 -2.66 0.11 0.00 0.04 0.00 0.00 34.50 31.98 2wbq s PRO 221 CO -0.03 -0.76 1.14 0.16 0.04 0.00 0.00 177.00 177.56 2wbq s ASP 222 N -0.59 4.01 0.03 6.66 1.47 -1.26 -4.92 116.67 122.07 2wbq s ASP 222 Ca 0.61 0.96 0.13 0.00 1.18 0.00 0.00 52.55 55.43 2wbq s ASP 222 Cb -0.42 -1.54 0.56 0.00 -0.34 0.00 0.00 42.92 41.18 2wbq s ASP 222 CO 0.54 -2.23 1.42 0.47 0.68 0.00 0.00 175.17 176.04 2wbq n ASP 223 N -3.56 0.07 0.15 2.11 8.00 -1.26 -2.36 116.55 119.69 2wbq n ASP 223 Ca 0.07 0.52 0.12 0.00 0.71 0.00 0.00 54.79 56.21 2wbq n ASP 223 Cb 0.59 -0.53 0.53 0.00 -0.02 0.00 0.00 41.12 41.69 2wbq n ASP 223 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2wbq n SER 224 N -1.57 0.65 -1.25 -2.24 3.41 -1.26 -2.33 113.62 109.03 2wbq n SER 224 Ca 0.03 0.71 0.11 0.00 -0.26 0.00 0.00 58.87 59.46 2wbq n SER 224 Cb 0.15 -0.83 0.28 0.00 -0.26 0.00 0.00 64.21 63.55 2wbq n SER 224 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2wbq n HIS 225 N -2.27 0.78 -2.81 7.33 8.25 -0.99 -4.45 115.22 121.06 2wbq n HIS 225 Ca 0.01 -0.41 -0.37 0.00 -0.26 0.00 0.00 57.72 56.69 2wbq n HIS 225 Cb 0.16 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 2wbq n HIS 225 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2wbq s LEU 226 N -1.17 4.32 0.36 2.41 1.43 -0.98 -4.92 118.68 120.13 2wbq s LEU 226 Ca 0.44 1.79 0.11 0.00 -1.03 0.00 0.00 54.13 55.44 2wbq s LEU 226 Cb 0.24 -4.01 0.88 0.00 0.03 0.00 0.00 46.19 43.33 2wbq s LEU 226 CO 0.32 -0.08 1.85 1.56 0.23 0.00 0.00 176.35 180.23 2wbq h GLN 227 N 3.12 0.61 0.00 1.70 4.20 -1.90 -1.11 115.11 121.73 2wbq h GLN 227 Ca -0.47 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.18 2wbq h GLN 227 Cb 1.19 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.83 2wbq h GLN 227 CO 0.65 0.40 -0.11 -0.24 -0.67 0.00 0.00 178.83 178.86 2wbq h VAL 228 N 0.63 0.56 -0.53 -0.54 3.04 -1.93 -0.70 116.25 116.77 2wbq h VAL 228 Ca 0.48 -0.49 -0.05 0.00 -1.01 0.00 0.00 66.70 65.63 2wbq h VAL 228 Cb 0.87 1.32 -0.03 0.00 -2.01 0.00 0.00 31.29 31.44 2wbq h VAL 228 CO -0.23 0.11 0.06 0.59 -1.01 0.00 0.00 177.57 177.09 2wbq n ASN 229 N -3.65 4.94 -4.40 3.17 3.02 -0.42 -4.88 115.26 113.03 2wbq n ASN 229 Ca -0.02 -2.86 -0.23 0.00 -0.03 0.00 0.00 54.58 51.44 2wbq n ASN 229 Cb 0.23 -0.68 -0.10 0.00 -0.61 0.00 0.00 39.78 38.62 2wbq n ASN 229 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2wbq s ASN 230 N -0.70 2.56 0.18 6.41 0.01 -0.27 -4.41 114.94 118.72 2wbq s ASN 230 Ca 0.47 -1.45 -0.04 0.00 -0.71 0.00 0.00 52.86 51.13 2wbq s ASN 230 Cb 0.36 0.07 0.09 0.00 0.41 0.00 0.00 41.25 42.18 2wbq s ASN 230 CO 0.13 -0.69 1.48 0.28 -1.51 0.00 0.00 177.10 176.80 2wbq h SER 231 N 2.01 0.62 0.00 -1.22 0.02 -1.90 -3.49 113.55 109.59 2wbq h SER 231 Ca -0.40 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.20 2wbq h SER 231 Cb 1.25 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2wbq h SER 231 CO 0.67 1.07 0.00 0.61 -1.14 0.00 0.00 176.83 178.04 2wbq n GLY 236 N 0.32 0.00 3.77 -3.77 0.00 1.97 -5.06 105.19 102.42 2wbq n GLY 236 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 2wbq n GLY 236 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wbq s ARG 237 N 0.00 3.26 0.45 1.61 0.52 -1.26 -4.92 118.95 118.60 2wbq s ARG 237 Ca 0.00 1.71 0.30 0.00 -0.52 0.00 0.00 55.73 57.22 2wbq s ARG 237 Cb 0.00 -2.02 1.18 0.00 0.52 0.00 0.00 34.95 34.64 2wbq s ARG 237 CO 0.00 -0.95 1.88 -0.24 0.02 0.00 0.00 175.30 176.01 2wbq h VAL 238 N 1.16 0.00 0.00 3.52 3.04 -2.02 -3.06 116.25 118.88 2wbq h VAL 238 Ca -0.50 -0.45 0.00 0.00 -1.01 0.00 0.00 66.70 64.74 2wbq h VAL 238 Cb 1.27 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 31.92 2wbq h VAL 238 CO 0.57 0.00 0.00 -0.33 -1.01 0.00 0.00 177.57 176.80 2wbq h GLU 239 N 0.00 0.00 0.00 4.17 3.07 -1.92 -0.71 114.58 119.20 2wbq h GLU 239 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 2wbq h GLU 239 Cb 0.50 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.40 2wbq h GLU 239 CO 0.00 0.00 -0.15 0.74 -1.40 0.00 0.00 179.01 178.20 2wbq h PHE 240 N 0.00 0.00 -0.70 4.33 -1.00 -1.91 -2.58 116.94 115.09 2wbq h PHE 240 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 2wbq h PHE 240 Cb 0.44 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.96 2wbq h PHE 240 CO 0.00 0.15 0.38 0.93 -1.61 0.00 0.00 178.31 178.16 2wbq h GLU 241 N 0.00 0.97 -0.33 1.51 4.39 -1.34 -1.66 114.58 118.11 2wbq h GLU 241 Ca -0.00 -0.11 -0.12 0.00 0.34 0.00 0.00 59.36 59.46 2wbq h GLU 241 Cb 0.49 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 2wbq h GLU 241 CO 0.02 0.72 -0.30 0.78 -1.16 0.00 0.00 179.01 179.08 2wbq h GLY 242 N 0.95 0.76 1.00 -3.84 0.00 -1.59 -0.91 103.07 99.44 2wbq h GLY 242 Ca 0.25 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2wbq h GLY 242 CO -0.04 0.63 0.28 -2.22 0.00 0.00 0.00 176.54 175.18 2wbq h ILE 243 N 0.60 1.13 -0.51 2.60 1.08 -1.38 -0.90 117.51 120.13 2wbq h ILE 243 Ca 0.07 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 2wbq h ILE 243 Cb 0.80 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 2wbq h ILE 243 CO 0.07 0.12 0.33 0.00 -0.69 0.00 0.00 178.15 177.98 2wbq h ALA 244 N 1.14 0.65 -0.58 1.87 0.00 -0.84 -0.59 119.26 120.90 2wbq h ALA 244 Ca 0.16 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.06 2wbq h ALA 244 Cb -0.04 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 2wbq h ALA 244 CO -0.03 0.11 0.32 1.96 0.00 0.00 0.00 179.25 181.61 2wbq h GLN 245 N 0.69 0.60 -0.30 0.00 4.20 -0.97 0.23 115.11 119.57 2wbq h GLN 245 Ca 0.19 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 2wbq h GLN 245 Cb -0.05 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 2wbq h GLN 245 CO -0.04 0.40 -0.07 0.00 -0.67 0.00 0.00 178.83 178.45 2wbq h ALA 246 N 1.29 1.32 0.09 3.87 0.00 -0.76 0.70 119.26 125.77 2wbq h ALA 246 Ca 0.25 -0.24 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 2wbq h ALA 246 Cb 0.11 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 17.79 2wbq h ALA 246 CO -0.15 0.46 -0.97 0.00 0.00 0.00 0.00 179.25 178.59 2wbq h ALA 247 N 1.47 -0.00 0.15 0.00 0.00 -0.61 -3.12 119.26 117.15 2wbq h ALA 247 Ca 0.09 -0.70 -0.29 0.00 0.00 0.00 0.00 54.91 54.01 2wbq h ALA 247 Cb 0.41 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.30 2wbq h ALA 247 CO 0.02 0.53 -1.35 -0.44 0.00 0.00 0.00 179.25 178.01 2wbq h ASP 248 N 0.03 0.49 -2.07 0.00 3.32 -0.47 -3.39 116.42 114.34 2wbq h ASP 248 Ca -0.15 -0.56 -0.55 0.00 0.02 0.00 0.00 57.03 55.80 2wbq h ASP 248 Cb 1.69 -0.16 -0.40 0.00 0.22 0.00 0.00 39.33 40.67 2wbq h ASP 248 CO 0.19 1.44 -1.00 0.54 -1.72 0.00 0.00 179.24 178.69 2wbq n ARG 249 N -3.55 1.39 -2.00 3.56 1.74 0.23 -5.08 116.66 112.95 2wbq n ARG 249 Ca -0.12 -3.70 -0.40 0.00 -0.77 0.00 0.00 57.85 52.86 2wbq n ARG 249 Cb 1.04 -1.66 -0.01 0.00 -1.02 0.00 0.00 32.46 30.82 2wbq n ARG 249 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2wbq s PRO 250 N -2.05 4.11 0.06 5.56 0.04 -1.18 -4.66 135.00 136.87 2wbq s PRO 250 Ca 0.39 2.30 -0.11 0.00 0.04 0.00 0.00 61.00 63.62 2wbq s PRO 250 Cb 0.24 -2.91 -0.06 0.00 0.04 0.00 0.00 34.50 31.81 2wbq s PRO 250 CO -0.09 -0.42 0.40 -1.83 0.04 0.00 0.00 177.00 175.10 2wbq s GLU 251 N -2.07 3.80 0.26 4.56 -1.05 -1.26 -4.99 118.70 117.95 2wbq s GLU 251 Ca 0.53 0.24 -0.30 0.00 -0.15 0.00 0.00 54.97 55.29 2wbq s GLU 251 Cb -0.41 -3.06 -0.10 0.00 -0.44 0.00 0.00 34.13 30.13 2wbq s GLU 251 CO 0.54 0.60 1.36 -2.14 0.95 0.00 0.00 175.26 176.57 2wbq s PRO 252 N -1.68 4.33 0.15 -4.83 0.02 -1.26 -4.71 135.00 127.01 2wbq s PRO 252 Ca 0.30 2.20 0.01 0.00 0.02 0.00 0.00 61.00 63.53 2wbq s PRO 252 Cb -0.15 -3.12 -0.04 0.00 0.02 0.00 0.00 34.50 31.21 2wbq s PRO 252 CO 0.17 -0.30 0.01 0.14 -0.33 0.00 0.00 177.00 176.68 2wbq s VAL 253 N -0.29 0.48 0.58 3.83 -7.23 0.31 -4.76 120.40 113.32 2wbq s VAL 253 Ca 0.56 -1.94 -0.10 0.00 -1.81 0.00 0.00 61.98 58.68 2wbq s VAL 253 Cb -0.40 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 2wbq s VAL 253 CO 0.44 -0.54 0.96 0.00 -0.31 0.00 0.00 175.10 175.66 2wbq s ALA 254 N -3.78 3.17 -0.15 1.32 0.00 -1.25 -1.57 121.76 119.50 2wbq s ALA 254 Ca 0.22 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.01 2wbq s ALA 254 Cb 0.07 -2.96 -0.23 0.00 0.00 0.00 0.00 23.12 19.99 2wbq s ALA 254 CO 0.02 -0.57 0.22 -0.89 0.00 0.00 0.00 175.76 174.54 2wbq n ILE 255 N -2.53 1.65 -4.46 0.00 5.41 -0.69 -4.81 119.36 113.92 2wbq n ILE 255 Ca 0.05 -0.67 -0.33 0.00 1.00 0.00 0.00 62.75 62.80 2wbq n ILE 255 Cb 0.54 -1.44 -0.10 0.00 -0.71 0.00 0.00 39.64 37.93 2wbq n ILE 255 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2wbq s LEU 256 N -6.63 3.26 0.17 1.39 1.43 -0.43 -0.84 118.68 117.02 2wbq s LEU 256 Ca -0.22 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 52.80 2wbq s LEU 256 Cb 0.07 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 2wbq s LEU 256 CO 0.74 0.31 0.09 0.42 0.23 0.00 0.00 176.35 178.14 2wbq s THR 257 N -0.96 0.07 0.00 5.49 -4.23 -0.62 -4.23 115.64 111.16 2wbq s THR 257 Ca 0.16 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 2wbq s THR 257 Cb -0.11 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.44 2wbq s THR 257 CO 0.06 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.53 2wbq n GLY 258 N -0.19 0.44 3.71 3.99 0.00 -1.26 -0.72 105.19 111.16 2wbq n GLY 258 Ca -0.02 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 2wbq n GLY 258 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wbq s HIS 259 N 0.00 3.61 0.45 1.61 5.65 -1.26 -4.93 115.29 120.42 2wbq s HIS 259 Ca 0.00 1.64 0.23 0.00 0.25 0.00 0.00 55.06 57.18 2wbq s HIS 259 Cb 0.00 -3.16 1.34 0.00 -1.18 0.00 0.00 32.58 29.57 2wbq s HIS 259 CO 0.00 -0.18 2.06 0.00 -0.65 0.00 0.00 174.74 175.98 2wbq h ARG 260 N 6.85 0.00 -0.00 2.88 3.08 -1.99 -0.84 114.38 124.36 2wbq h ARG 260 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.65 2wbq h ARG 260 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2wbq h ARG 260 CO 0.77 0.13 -0.12 0.00 -1.07 0.00 0.00 179.97 179.68 2wbq n ALA 261 N -2.36 2.78 -2.74 0.04 0.00 -1.26 -4.41 120.51 112.56 2wbq n ALA 261 Ca -0.02 -0.28 -0.08 0.00 0.00 0.00 0.00 53.44 53.06 2wbq n ALA 261 Cb 0.22 -1.32 0.07 0.00 0.00 0.00 0.00 19.45 18.42 2wbq n ALA 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wbq n ALA 262 N -0.92 -1.17 -1.63 0.00 0.00 -0.44 -5.12 120.51 111.23 2wbq n ALA 262 Ca 0.14 -1.41 -0.33 0.00 0.00 0.00 0.00 53.44 51.84 2wbq n ALA 262 Cb 0.28 -1.29 0.02 0.00 0.00 0.00 0.00 19.45 18.46 2wbq n ALA 262 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2wbq s PRO 263 N 0.50 3.13 0.36 0.00 0.02 -0.51 -4.26 135.00 134.24 2wbq s PRO 263 Ca 0.27 1.36 -0.10 0.00 0.02 0.00 0.00 61.00 62.55 2wbq s PRO 263 Cb 0.26 -2.00 -0.07 0.00 0.02 0.00 0.00 34.50 32.71 2wbq s PRO 263 CO -0.16 -0.98 0.70 -1.01 -0.33 0.00 0.00 177.00 175.23 2wbq s HIS 264 N -2.27 3.45 -0.05 6.54 3.76 0.11 -4.81 115.29 122.02 2wbq s HIS 264 Ca 0.67 0.97 0.04 0.00 -0.15 0.00 0.00 55.06 56.59 2wbq s HIS 264 Cb -0.19 -2.37 -0.00 0.00 1.11 0.00 0.00 32.58 31.12 2wbq s HIS 264 CO 0.36 0.01 -0.18 -1.17 -0.85 0.00 0.00 174.74 172.91 2wbq s LEU 265 N -3.59 1.91 -0.27 0.89 2.96 0.79 -1.59 118.68 119.77 2wbq s LEU 265 Ca 0.50 -0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 54.00 2wbq s LEU 265 Cb -0.10 -1.01 0.10 0.00 0.50 0.00 0.00 46.19 45.67 2wbq s LEU 265 CO 0.28 0.14 0.16 -0.60 -1.32 0.00 0.00 176.35 175.01 2wbq s ARG 266 N 0.13 0.19 0.00 1.98 3.52 -0.02 -4.65 118.95 120.10 2wbq s ARG 266 Ca -0.06 -0.36 -0.28 0.00 -0.13 0.00 0.00 55.73 54.90 2wbq s ARG 266 Cb -0.13 -1.17 0.08 0.00 -1.56 0.00 0.00 34.95 32.17 2wbq s ARG 266 CO 0.03 -0.95 0.72 0.54 -0.81 0.00 0.00 175.30 174.83 2wbq s VAL 267 N 2.16 0.00 -0.10 7.11 0.11 -1.26 -4.44 120.40 123.98 2wbq s VAL 267 Ca 0.08 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.11 2wbq s VAL 267 Cb -0.16 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.73 2wbq s VAL 267 CO -0.31 0.00 0.01 -0.62 -3.33 0.00 0.00 175.10 170.85 2wbq s ASP 268 N -1.76 1.85 0.52 3.54 3.68 -1.26 -0.38 116.67 122.86 2wbq s ASP 268 Ca -0.05 -0.23 0.20 0.00 2.13 0.00 0.00 52.55 54.60 2wbq s ASP 268 Cb -0.00 -0.48 1.35 0.00 -1.45 0.00 0.00 42.92 42.34 2wbq s ASP 268 CO 0.00 -0.21 2.14 1.23 0.13 0.00 0.00 175.17 178.46 2wbq h GLY 269 N 8.31 0.00 0.69 2.66 0.00 -1.65 0.76 103.07 113.84 2wbq h GLY 269 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 46.86 2wbq h GLY 269 CO 0.28 0.00 -1.34 -0.55 0.00 0.00 0.00 176.54 174.93 2wbq h ASP 270 N 0.00 0.47 0.00 0.19 3.32 -1.93 -3.42 116.42 115.04 2wbq h ASP 270 Ca -0.00 -0.89 0.00 0.00 0.02 0.00 0.00 57.03 56.16 2wbq h ASP 270 Cb 0.09 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.49 2wbq h ASP 270 CO 0.01 1.60 -0.84 0.49 -1.72 0.00 0.00 179.24 178.77 2wbq n PHE 271 N -3.91 0.00 -2.84 4.55 3.72 -0.65 -4.92 117.46 113.41 2wbq n PHE 271 Ca -0.22 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.84 2wbq n PHE 271 Cb 0.92 -0.04 -0.07 0.00 -0.94 0.00 0.00 39.48 39.36 2wbq n PHE 271 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2wbq s SER 272 N -2.63 6.99 0.08 4.37 0.01 0.17 -3.99 113.70 118.69 2wbq s SER 272 Ca 0.05 1.68 -0.10 0.00 1.31 0.00 0.00 55.95 58.89 2wbq s SER 272 Cb 0.12 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2wbq s SER 272 CO 0.65 -0.30 0.21 0.00 0.41 0.00 0.00 173.24 174.21 2wbq s ALA 273 N -2.07 -0.33 0.64 1.44 0.00 -0.50 -4.99 121.76 115.94 2wbq s ALA 273 Ca 0.59 -0.46 -0.14 0.00 0.00 0.00 0.00 51.96 51.95 2wbq s ALA 273 Cb -0.11 0.44 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 2wbq s ALA 273 CO 0.15 -0.48 1.06 -1.25 0.00 0.00 0.00 175.76 175.24 2wbq s PRO 274 N -3.46 3.12 0.69 0.00 0.04 -1.26 -0.16 135.00 133.97 2wbq s PRO 274 Ca 0.02 1.11 -0.17 0.00 0.04 0.00 0.00 61.00 62.00 2wbq s PRO 274 Cb 0.03 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2wbq s PRO 274 CO -0.09 -0.96 0.62 0.00 0.04 0.00 0.00 177.00 176.61 2wbq n ALA 275 N -2.51 -1.17 -1.69 8.56 0.00 0.07 -4.50 120.51 119.27 2wbq n ALA 275 Ca 0.08 -0.18 -0.50 0.00 0.00 0.00 0.00 53.44 52.84 2wbq n ALA 275 Cb 0.53 -1.90 -0.05 0.00 0.00 0.00 0.00 19.45 18.03 2wbq n ALA 275 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2wbq n GLU 276 N -0.80 1.97 -0.95 0.00 0.28 -1.26 -1.29 120.64 118.59 2wbq n GLU 276 Ca 0.11 0.72 0.00 0.00 -0.16 0.00 0.00 57.16 57.83 2wbq n GLU 276 Cb 0.49 -2.54 0.00 0.00 1.43 0.00 0.00 31.44 30.83 2wbq n GLU 276 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2wbq n GLY 277 N 4.37 0.23 3.48 -1.84 0.00 -1.26 -4.95 105.19 105.22 2wbq n GLY 277 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 2wbq n GLY 277 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wbq s ASP 278 N -2.07 6.47 0.26 1.61 -1.08 -0.42 -4.86 116.67 116.58 2wbq s ASP 278 Ca 0.00 -1.59 0.12 0.00 -0.52 0.00 0.00 52.55 50.55 2wbq s ASP 278 Cb 0.00 -2.45 0.27 0.00 -1.46 0.00 0.00 42.92 39.28 2wbq s ASP 278 CO 0.00 -1.28 1.55 -0.33 0.52 0.00 0.00 175.17 175.63 2wbq h GLU 279 N 9.26 0.00 -0.27 4.34 5.08 -1.92 -1.15 114.58 129.92 2wbq h GLU 279 Ca 0.04 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 2wbq h GLU 279 Cb 1.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 2wbq h GLU 279 CO 1.20 0.65 -0.14 1.49 -1.00 0.00 0.00 179.01 181.20 2wbq h GLU 280 N 0.00 0.57 -0.72 2.33 4.81 -1.99 0.13 114.58 119.71 2wbq h GLU 280 Ca -0.01 -0.25 0.05 0.00 -0.13 0.00 0.00 59.36 59.02 2wbq h GLU 280 Cb 1.23 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.55 2wbq h GLU 280 CO 0.08 0.82 0.43 0.00 -0.73 0.00 0.00 179.01 179.62 2wbq h ALA 281 N 0.73 0.96 -0.54 2.92 0.00 -1.87 -2.04 119.26 119.42 2wbq h ALA 281 Ca 0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2wbq h ALA 281 Cb 0.66 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2wbq h ALA 281 CO 0.04 0.16 0.31 0.00 0.00 0.00 0.00 179.25 179.76 2wbq h ALA 282 N 1.34 0.69 -0.69 0.00 0.00 -0.92 -0.73 119.26 118.94 2wbq h ALA 282 Ca 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2wbq h ALA 282 Cb 0.12 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2wbq h ALA 282 CO -0.15 0.19 0.43 0.00 0.00 0.00 0.00 179.25 179.72 2wbq h ALA 283 N 1.15 0.88 -0.54 0.00 0.00 -0.72 0.29 119.26 120.31 2wbq h ALA 283 Ca 0.19 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2wbq h ALA 283 Cb 0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2wbq h ALA 283 CO -0.03 0.34 0.19 0.00 0.00 0.00 0.00 179.25 179.74 2wbq h ALA 284 N 1.23 0.70 -0.61 0.00 0.00 -0.84 -1.01 119.26 118.73 2wbq h ALA 284 Ca 0.25 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2wbq h ALA 284 Cb -0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2wbq h ALA 284 CO -0.05 0.34 0.06 1.25 0.00 0.00 0.00 179.25 180.85 2wbq h LEU 285 N 0.74 1.01 -0.60 0.00 5.85 -0.89 -0.24 115.31 121.18 2wbq h LEU 285 Ca 0.18 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2wbq h LEU 285 Cb 0.24 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 2wbq h LEU 285 CO -0.01 1.04 0.38 1.23 -0.34 0.00 0.00 178.44 180.74 2wbq h GLY 286 N 0.95 0.85 0.89 3.75 0.00 -0.79 0.50 103.07 109.22 2wbq h GLY 286 Ca 0.18 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 2wbq h GLY 286 CO 0.02 0.33 0.09 -0.84 0.00 0.00 0.00 176.54 176.13 2wbq h THR 287 N 0.81 1.18 -0.55 4.70 2.02 -1.00 -2.01 112.91 118.06 2wbq h THR 287 Ca 0.22 -0.57 0.08 0.00 0.77 0.00 0.00 66.41 66.91 2wbq h THR 287 Cb -0.06 1.10 -0.06 0.00 -1.74 0.00 0.00 68.15 67.38 2wbq h THR 287 CO -0.04 0.19 0.21 0.25 0.37 0.00 0.00 175.52 176.49 2wbq h LEU 288 N 0.24 0.23 -0.36 2.58 5.85 -0.69 -0.91 115.31 122.25 2wbq h LEU 288 Ca 0.08 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.90 2wbq h LEU 288 Cb 0.21 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 2wbq h LEU 288 CO -0.00 0.15 0.15 0.03 -0.34 0.00 0.00 178.44 178.43 2wbq h ARG 289 N 0.40 0.31 -0.72 1.25 3.08 -0.70 0.28 114.38 118.28 2wbq h ARG 289 Ca 0.27 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.26 2wbq h ARG 289 Cb 0.29 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 2wbq h ARG 289 CO -0.26 0.21 0.28 0.87 -1.07 0.00 0.00 179.97 180.00 2wbq h LYS 290 N 0.32 1.08 -0.23 0.04 1.57 -0.86 0.13 116.57 118.64 2wbq h LYS 290 Ca 0.16 -0.20 -0.18 0.00 -1.87 0.00 0.00 60.65 58.56 2wbq h LYS 290 Cb 0.10 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2wbq h LYS 290 CO -0.14 0.89 -0.57 -0.07 -0.57 0.00 0.00 179.45 179.00 2wbq h LEU 291 N 1.04 0.79 -0.33 2.94 3.38 -0.78 -1.56 115.31 120.79 2wbq h LEU 291 Ca 0.24 -0.43 -0.12 0.00 0.09 0.00 0.00 57.88 57.66 2wbq h LEU 291 Cb 0.22 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2wbq h LEU 291 CO -0.02 1.19 -0.24 0.40 0.09 0.00 0.00 178.44 179.86 2wbq h ILE 292 N 0.54 1.29 -0.76 1.22 2.04 -0.83 -2.45 117.51 118.56 2wbq h ILE 292 Ca 0.01 -1.39 0.10 0.00 1.00 0.00 0.00 64.86 64.58 2wbq h ILE 292 Cb 1.15 1.45 -0.07 0.00 -0.74 0.00 0.00 36.82 38.61 2wbq h ILE 292 CO 0.12 0.45 0.39 0.44 0.00 0.00 0.00 178.15 179.55 2wbq h ASP 293 N 0.53 0.52 1.26 1.72 3.32 -0.86 -0.39 116.42 122.51 2wbq h ASP 293 Ca 0.06 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 2wbq h ASP 293 Cb 0.80 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.33 2wbq h ASP 293 CO 0.06 0.28 -0.01 0.00 -1.72 0.00 0.00 179.24 177.86 2wbq h ALA 294 N 1.45 1.00 -0.01 3.45 0.00 -1.15 -3.24 119.26 120.77 2wbq h ALA 294 Ca 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2wbq h ALA 294 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2wbq h ALA 294 CO -0.28 0.01 -0.20 -1.13 0.00 0.00 0.00 179.25 177.65 2wbq n SER 295 N -3.10 1.39 -4.70 0.00 3.41 -0.67 -5.01 113.62 104.94 2wbq n SER 295 Ca 0.01 -1.19 -0.43 0.00 -0.26 0.00 0.00 58.87 57.00 2wbq n SER 295 Cb 0.36 0.40 -0.02 0.00 -0.26 0.00 0.00 64.21 64.69 2wbq n SER 295 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2wbq n LEU 296 N -0.10 3.63 -4.36 1.04 7.94 -0.24 -4.81 117.00 120.09 2wbq n LEU 296 Ca 0.05 1.15 -0.19 0.00 -1.11 0.00 0.00 56.01 55.92 2wbq n LEU 296 Cb 0.24 -1.50 -0.10 0.00 0.53 0.00 0.00 43.42 42.60 2wbq n LEU 296 CO 0.13 -0.26 -0.24 -0.72 -1.11 0.00 0.00 177.39 175.19 2wbq s TYR 297 N -0.20 1.64 -0.04 1.96 -0.85 -0.07 -4.95 117.35 114.83 2wbq s TYR 297 Ca 0.65 -1.20 0.01 0.00 -0.52 0.00 0.00 57.07 56.01 2wbq s TYR 297 Cb -0.58 -0.97 -0.03 0.00 0.38 0.00 0.00 41.96 40.76 2wbq s TYR 297 CO 0.51 -0.33 -0.05 -1.21 -1.52 0.00 0.00 175.55 172.96 2wbq s GLU 298 N -3.93 2.73 -0.13 -3.49 2.02 -1.26 -1.03 118.70 113.61 2wbq s GLU 298 Ca 0.36 -0.59 -0.01 0.00 0.02 0.00 0.00 54.97 54.76 2wbq s GLU 298 Cb 0.07 -2.60 0.03 0.00 0.10 0.00 0.00 34.13 31.73 2wbq s GLU 298 CO 0.15 0.65 -0.06 -1.17 0.02 0.00 0.00 175.26 174.85 2wbq s LEU 299 N -1.10 1.25 -0.30 1.80 2.96 0.20 -4.98 118.68 118.51 2wbq s LEU 299 Ca 0.15 -0.40 -0.15 0.00 -0.22 0.00 0.00 54.13 53.51 2wbq s LEU 299 Cb -0.11 -0.82 -0.03 0.00 0.50 0.00 0.00 46.19 45.73 2wbq s LEU 299 CO 0.04 -0.15 0.35 -0.69 -1.32 0.00 0.00 176.35 174.59 2wbq s VAL 300 N 1.71 5.18 -0.70 1.68 1.01 -1.26 -0.77 120.40 127.26 2wbq s VAL 300 Ca 0.04 0.30 -0.20 0.00 0.00 0.00 0.00 61.98 62.12 2wbq s VAL 300 Cb -0.13 -3.74 0.11 0.00 0.00 0.00 0.00 36.38 32.62 2wbq s VAL 300 CO -0.08 0.05 0.87 -0.76 0.00 0.00 0.00 175.10 175.19 2wbq s LEU 301 N 2.02 5.14 0.86 3.92 1.43 -1.26 -5.02 118.68 125.78 2wbq s LEU 301 Ca 0.13 -1.53 -0.11 0.00 -1.03 0.00 0.00 54.13 51.58 2wbq s LEU 301 Cb -0.16 -2.35 0.11 0.00 0.03 0.00 0.00 46.19 43.82 2wbq s LEU 301 CO 0.11 -1.16 1.09 -0.62 0.23 0.00 0.00 176.35 176.00 2wbq s ASP 302 N 3.54 3.79 -0.06 2.29 2.15 -1.26 -4.72 116.67 122.39 2wbq s ASP 302 Ca 0.19 1.50 -0.38 0.00 0.43 0.00 0.00 52.55 54.29 2wbq s ASP 302 Cb -0.17 -2.19 -0.16 0.00 -0.30 0.00 0.00 42.92 40.10 2wbq s ASP 302 CO 0.03 -2.44 1.52 1.67 -0.17 0.00 0.00 175.17 175.78 2wbq n GLN 303 N -3.76 1.20 -0.10 4.34 7.27 -1.26 -0.92 117.38 124.15 2wbq n GLN 303 Ca 0.07 0.44 0.00 0.00 0.07 0.00 0.00 57.00 57.58 2wbq n GLN 303 Cb 0.55 -2.10 0.00 0.00 2.41 0.00 0.00 30.24 31.10 2wbq n GLN 303 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2wbq n GLY 304 N 3.26 1.07 3.78 1.69 0.00 0.64 -4.81 105.19 110.82 2wbq n GLY 304 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 2wbq n GLY 304 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wbq s ASP 305 N -2.84 7.32 -0.05 1.61 1.01 -0.10 -2.71 116.67 120.91 2wbq s ASP 305 Ca 0.00 1.80 0.05 0.00 0.71 0.00 0.00 52.55 55.12 2wbq s ASP 305 Cb 0.00 -2.57 -0.01 0.00 1.01 0.00 0.00 42.92 41.36 2wbq s ASP 305 CO 0.00 -0.06 -0.22 -0.69 0.21 0.00 0.00 175.17 174.42 2wbq s VAL 306 N -1.60 1.78 -0.02 -1.27 1.01 -0.06 -1.07 120.40 119.17 2wbq s VAL 306 Ca 0.49 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.62 2wbq s VAL 306 Cb -0.19 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 2wbq s VAL 306 CO 0.24 0.50 -0.19 0.00 0.00 0.00 0.00 175.10 175.64 2wbq s ALA 307 N -0.08 1.61 -0.37 5.51 0.00 0.22 -0.46 121.76 128.20 2wbq s ALA 307 Ca -0.04 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.08 2wbq s ALA 307 Cb -0.13 -0.43 0.09 0.00 0.00 0.00 0.00 23.12 22.65 2wbq s ALA 307 CO 0.03 0.38 0.12 -0.06 0.00 0.00 0.00 175.76 176.23 2wbq s PHE 308 N -0.38 3.47 0.02 0.00 0.08 0.51 -0.39 117.98 121.30 2wbq s PHE 308 Ca 0.06 -2.21 -0.28 0.00 0.12 0.00 0.00 56.93 54.62 2wbq s PHE 308 Cb -0.08 -2.79 -0.04 0.00 -0.57 0.00 0.00 43.02 39.54 2wbq s PHE 308 CO -0.00 -0.90 0.89 0.42 -0.10 0.00 0.00 175.22 175.53 2wbq s ILE 309 N 1.18 4.79 -0.72 0.64 1.01 0.37 -0.85 121.20 127.61 2wbq s ILE 309 Ca 0.03 1.89 -0.27 0.00 0.00 0.00 0.00 60.65 62.31 2wbq s ILE 309 Cb -0.21 -4.24 0.03 0.00 0.01 0.00 0.00 42.46 38.04 2wbq s ILE 309 CO -0.03 0.24 1.33 -0.62 0.00 0.00 0.00 174.94 175.87 2wbq s ASP 310 N 0.57 6.09 0.00 3.58 -1.08 -0.13 -1.26 116.67 124.44 2wbq s ASP 310 Ca 0.46 -0.37 0.24 0.00 -0.52 0.00 0.00 52.55 52.37 2wbq s ASP 310 Cb -0.21 -2.56 1.32 0.00 -1.46 0.00 0.00 42.92 40.01 2wbq s ASP 310 CO 0.26 -1.88 1.80 -3.20 0.52 0.00 0.00 175.17 172.67 2wbq n ASN 311 N 9.66 0.00 -0.04 -0.34 5.15 -0.20 -1.45 115.26 128.04 2wbq n ASN 311 Ca 0.05 -0.39 -0.14 0.00 -0.60 0.00 0.00 54.58 53.50 2wbq n ASN 311 Cb 0.49 -0.15 -0.14 0.00 -0.53 0.00 0.00 39.78 39.45 2wbq n ASN 311 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2wbq n ARG 312 N -1.15 0.69 0.04 1.20 1.74 -1.26 -4.54 116.66 113.37 2wbq n ARG 312 Ca 0.15 0.21 0.05 0.00 -0.77 0.00 0.00 57.85 57.49 2wbq n ARG 312 Cb 0.14 -1.68 -0.08 0.00 -1.02 0.00 0.00 32.46 29.82 2wbq n ARG 312 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wbq n ARG 313 N -3.16 0.63 -3.97 5.56 1.74 -1.00 -0.15 116.66 116.31 2wbq n ARG 313 Ca -0.29 0.08 -0.11 0.00 -0.77 0.00 0.00 57.85 56.77 2wbq n ARG 313 Cb 1.06 -1.73 -0.12 0.00 -1.02 0.00 0.00 32.46 30.65 2wbq n ARG 313 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wbq s ALA 314 N -3.15 0.15 0.35 7.54 0.00 -0.53 -3.68 121.76 122.44 2wbq s ALA 314 Ca -0.04 -0.44 -0.03 0.00 0.00 0.00 0.00 51.96 51.45 2wbq s ALA 314 Cb 0.10 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 2wbq s ALA 314 CO 0.83 -0.09 0.59 0.14 0.00 0.00 0.00 175.76 177.22 2wbq s VAL 315 N -1.02 5.04 0.08 0.00 -7.23 -0.17 -4.46 120.40 112.64 2wbq s VAL 315 Ca -0.10 -0.14 -0.05 0.00 -1.81 0.00 0.00 61.98 59.87 2wbq s VAL 315 Cb -0.07 -3.81 -0.02 0.00 0.56 0.00 0.00 36.38 33.04 2wbq s VAL 315 CO -0.01 -0.51 0.10 -1.38 -0.31 0.00 0.00 175.10 172.99 2wbq s HIS 316 N -2.30 0.37 0.00 2.82 -3.43 -0.80 -1.92 115.29 110.03 2wbq s HIS 316 Ca 0.43 -0.84 0.00 0.00 -0.80 0.00 0.00 55.06 53.85 2wbq s HIS 316 Cb -0.10 -0.22 0.00 0.00 -1.43 0.00 0.00 32.58 30.83 2wbq s HIS 316 CO 0.35 -0.49 0.00 0.41 -2.00 0.00 0.00 174.74 173.01 2wbq n GLY 317 N -0.01 3.53 3.40 -1.38 0.00 -0.16 -0.97 105.19 109.60 2wbq n GLY 317 Ca -0.13 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 2wbq n GLY 317 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wbq s ARG 318 N 1.15 0.52 0.71 1.61 3.52 -0.72 -0.92 118.95 124.82 2wbq s ARG 318 Ca 0.00 0.91 -0.16 0.00 -0.13 0.00 0.00 55.73 56.34 2wbq s ARG 318 Cb 0.00 0.07 0.03 0.00 -1.56 0.00 0.00 34.95 33.49 2wbq s ARG 318 CO 0.00 -0.14 1.25 1.03 -0.81 0.00 0.00 175.30 176.63 2wbq s ARG 319 N 1.30 2.21 0.48 5.12 1.81 -0.37 -0.89 118.95 128.61 2wbq s ARG 319 Ca -0.08 1.91 -0.24 0.00 -1.72 0.00 0.00 55.73 55.60 2wbq s ARG 319 Cb -0.07 -1.82 -0.08 0.00 -0.45 0.00 0.00 34.95 32.53 2wbq s ARG 319 CO -0.13 -1.82 1.32 0.00 -0.68 0.00 0.00 175.30 173.99 2wbq n ALA 320 N -2.47 1.50 -3.04 2.13 0.00 -1.26 -4.68 120.51 112.68 2wbq n ALA 320 Ca 0.15 0.20 -0.12 0.00 0.00 0.00 0.00 53.44 53.67 2wbq n ALA 320 Cb 0.49 -2.32 -0.06 0.00 0.00 0.00 0.00 19.45 17.56 2wbq n ALA 320 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2wbq s PHE 321 N -1.25 -0.18 -0.31 0.00 -0.12 -0.07 -4.96 117.98 111.10 2wbq s PHE 321 Ca 0.65 0.03 -0.24 0.00 -0.05 0.00 0.00 56.93 57.32 2wbq s PHE 321 Cb -0.46 0.17 0.00 0.00 -0.63 0.00 0.00 43.02 42.10 2wbq s PHE 321 CO 0.54 -0.57 0.84 -0.65 -0.05 0.00 0.00 175.22 175.34 2wbq s GLN 322 N -2.81 3.97 0.67 1.99 -1.52 -1.26 -2.37 119.66 118.33 2wbq s GLN 322 Ca -0.03 0.66 -0.14 0.00 -1.95 0.00 0.00 55.36 53.90 2wbq s GLN 322 Cb -0.00 -3.73 0.00 0.00 -0.22 0.00 0.00 33.01 29.06 2wbq s GLN 322 CO -0.05 -0.73 1.09 -1.25 -0.25 0.00 0.00 175.29 174.11 2wbq s PRO 323 N 3.09 2.80 -0.21 2.91 0.04 -1.26 -4.99 135.00 137.39 2wbq s PRO 323 Ca 0.35 1.28 -0.18 0.00 0.04 0.00 0.00 61.00 62.48 2wbq s PRO 323 Cb -0.14 -1.96 -0.14 0.00 0.04 0.00 0.00 34.50 32.30 2wbq s PRO 323 CO 0.13 -1.23 0.02 0.54 0.04 0.00 0.00 177.00 176.49 2wbq n ARG 324 N -2.62 0.55 -2.84 4.56 1.74 -1.26 -5.00 116.66 111.79 2wbq n ARG 324 Ca 0.10 0.50 -0.22 0.00 -0.77 0.00 0.00 57.85 57.45 2wbq n ARG 324 Cb 0.52 -1.68 0.02 0.00 -1.02 0.00 0.00 32.46 30.31 2wbq n ARG 324 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2wbq n TYR 325 N -4.43 -1.68 -0.11 -1.55 4.01 -1.26 -4.90 117.16 107.24 2wbq n TYR 325 Ca -0.31 0.36 0.03 0.00 -0.16 0.00 0.00 57.90 57.82 2wbq n TYR 325 Cb 0.64 -4.28 0.08 0.00 -0.31 0.00 0.00 39.34 35.48 2wbq n TYR 325 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2wbq n ASP 326 N -2.36 2.51 0.00 7.72 5.75 -1.26 -4.97 116.55 123.94 2wbq n ASP 326 Ca -0.15 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.62 2wbq n ASP 326 Cb 0.64 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 2wbq n ASP 326 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wbq n GLY 327 N 0.04 0.55 0.46 6.12 0.00 -1.26 -4.94 105.19 106.16 2wbq n GLY 327 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.16 2wbq n GLY 327 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wbq n ARG 328 N -2.00 1.32 -1.83 1.61 5.12 -1.26 -0.57 116.66 119.05 2wbq n ARG 328 Ca 0.00 -2.88 -0.37 0.00 -1.93 0.00 0.00 57.85 52.68 2wbq n ARG 328 Cb 0.00 -1.43 0.06 0.00 -1.16 0.00 0.00 32.46 29.92 2wbq n ARG 328 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2wbq s ASP 329 N -2.95 4.83 0.12 0.55 1.01 -1.26 -4.66 116.67 114.31 2wbq s ASP 329 Ca 0.34 2.56 -0.34 0.00 0.71 0.00 0.00 52.55 55.82 2wbq s ASP 329 Cb 0.32 -2.61 -0.17 0.00 1.01 0.00 0.00 42.92 41.47 2wbq s ASP 329 CO -0.04 -1.85 0.97 -1.14 0.21 0.00 0.00 175.17 173.32 2wbq n ARG 330 N -1.75 0.49 -3.67 8.23 0.63 -1.26 -4.79 116.66 114.54 2wbq n ARG 330 Ca 0.15 0.18 -0.09 0.00 -0.92 0.00 0.00 57.85 57.16 2wbq n ARG 330 Cb 0.48 -1.55 -0.10 0.00 0.45 0.00 0.00 32.46 31.75 2wbq n ARG 330 CO 0.00 0.00 0.00 -0.46 -2.51 0.00 0.00 177.63 174.66 2wbq s TRP 331 N -0.34 -0.74 0.12 -0.14 -0.00 -0.63 -4.26 118.94 112.95 2wbq s TRP 331 Ca 0.76 1.47 0.08 0.00 -0.00 0.00 0.00 56.10 58.42 2wbq s TRP 331 Cb -1.01 0.32 -0.04 0.00 -0.00 0.00 0.00 33.47 32.74 2wbq s TRP 331 CO 0.55 -0.43 -0.20 -0.51 -0.00 0.00 0.00 176.95 176.36 2wbq s LEU 332 N 2.06 2.35 0.16 5.86 1.02 -0.08 -0.68 118.68 129.37 2wbq s LEU 332 Ca -0.06 -0.75 -0.06 0.00 0.02 0.00 0.00 54.13 53.29 2wbq s LEU 332 Cb -0.10 -0.85 -0.06 0.00 0.02 0.00 0.00 46.19 45.20 2wbq s LEU 332 CO -0.13 0.02 0.42 -0.54 0.02 0.00 0.00 176.35 176.14 2wbq s LYS 333 N -2.22 3.67 0.01 1.70 -0.14 -0.16 -0.67 119.74 121.92 2wbq s LYS 333 Ca 0.09 0.01 -0.03 0.00 -1.36 0.00 0.00 55.97 54.68 2wbq s LYS 333 Cb -0.08 -2.80 -0.01 0.00 -1.68 0.00 0.00 37.83 33.25 2wbq s LYS 333 CO 0.05 0.43 0.05 0.50 -0.76 0.00 0.00 175.35 175.62 2wbq s ARG 334 N -2.67 0.39 -0.15 1.68 3.52 -0.11 -0.68 118.95 120.93 2wbq s ARG 334 Ca 0.42 -0.50 -0.15 0.00 -0.13 0.00 0.00 55.73 55.37 2wbq s ARG 334 Cb -0.12 0.15 0.04 0.00 -1.56 0.00 0.00 34.95 33.46 2wbq s ARG 334 CO 0.24 -0.08 0.42 -1.50 -0.81 0.00 0.00 175.30 173.56 2wbq s ILE 335 N -1.41 0.00 0.01 4.11 2.07 -0.05 -0.72 121.20 125.22 2wbq s ILE 335 Ca -0.15 -0.01 -0.17 0.00 -1.41 0.00 0.00 60.65 58.91 2wbq s ILE 335 Cb -0.09 -0.59 -0.06 0.00 0.13 0.00 0.00 42.46 41.85 2wbq s ILE 335 CO 0.00 -0.00 0.48 0.20 -1.91 0.00 0.00 174.94 173.70 2wbq s ASN 336 N 0.19 6.89 -0.04 4.50 0.01 -1.25 -0.36 114.94 124.87 2wbq s ASN 336 Ca -0.00 1.06 0.02 0.00 -0.71 0.00 0.00 52.86 53.23 2wbq s ASN 336 Cb -0.03 -2.30 0.01 0.00 0.41 0.00 0.00 41.25 39.34 2wbq s ASN 336 CO 0.01 0.27 -0.10 -0.63 -1.51 0.00 0.00 177.10 175.14 2wbq s ILE 337 N -0.89 0.87 0.01 0.60 1.01 -0.01 -1.90 121.20 120.89 2wbq s ILE 337 Ca 0.26 -0.38 0.06 0.00 0.00 0.00 0.00 60.65 60.59 2wbq s ILE 337 Cb -0.18 -0.79 -0.03 0.00 0.01 0.00 0.00 42.46 41.48 2wbq s ILE 337 CO 0.15 0.28 -0.17 0.28 0.00 0.00 0.00 174.94 175.48 2wbq s THR 338 N 0.37 2.84 -0.03 2.92 -1.32 0.11 -0.44 115.64 120.10 2wbq s THR 338 Ca -0.07 -1.03 0.31 0.00 -1.21 0.00 0.00 61.69 59.69 2wbq s THR 338 Cb -0.11 -2.16 0.34 0.00 -1.51 0.00 0.00 72.50 69.06 2wbq s THR 338 CO 0.01 0.43 1.92 0.03 -2.21 0.00 0.00 174.62 174.81 2wbq h ARG 339 N 4.84 0.00 -1.65 7.08 2.47 -1.86 0.20 114.38 125.46 2wbq h ARG 339 Ca -0.47 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.08 2wbq h ARG 339 Cb 1.15 0.00 -0.28 0.00 -1.65 0.00 0.00 29.97 29.19 2wbq h ARG 339 CO 0.49 0.00 -0.53 0.34 0.56 0.00 0.00 179.97 180.83 2wbq s ASP 340 N -4.96 0.25 0.50 7.04 2.15 -1.26 0.52 116.67 120.90 2wbq s ASP 340 Ca 0.01 -0.34 0.22 0.00 0.43 0.00 0.00 52.55 52.87 2wbq s ASP 340 Cb 0.09 1.17 1.29 0.00 -0.30 0.00 0.00 42.92 45.18 2wbq s ASP 340 CO 0.43 -0.35 1.97 0.25 -0.17 0.00 0.00 175.17 177.31 2wbq h LEU 341 N 8.15 0.12 -0.82 -1.34 5.85 -1.90 -1.86 115.31 123.50 2wbq h LEU 341 Ca -0.08 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2wbq h LEU 341 Cb 1.12 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.14 2wbq h LEU 341 CO 0.26 0.06 0.00 0.45 -0.34 0.00 0.00 178.44 178.87 2wbq h HIS 342 N 0.12 0.00 0.00 1.25 3.86 -1.96 -2.24 115.15 116.18 2wbq h HIS 342 Ca 0.29 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.48 2wbq h HIS 342 Cb 0.96 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.43 2wbq h HIS 342 CO -0.00 0.00 -0.06 0.00 0.86 0.00 0.00 177.93 178.73 2wbq h ARG 343 N 0.00 0.00 -0.40 2.45 3.08 -1.77 -2.80 114.38 114.95 2wbq h ARG 343 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wbq h ARG 343 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2wbq h ARG 343 CO 0.00 0.06 0.00 -1.13 -1.07 0.00 0.00 179.97 177.83 2wbq n SER 344 N -3.23 4.03 0.28 7.04 3.41 -0.84 -4.70 113.62 119.62 2wbq n SER 344 Ca -0.00 -2.63 0.14 0.00 -0.26 0.00 0.00 58.87 56.12 2wbq n SER 344 Cb 0.30 -0.49 0.82 0.00 -0.26 0.00 0.00 64.21 64.59 2wbq n SER 344 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2wbq h ARG 345 N 2.58 0.00 -0.30 4.33 0.11 -1.59 0.45 114.38 119.95 2wbq h ARG 345 Ca 0.00 0.00 0.03 0.00 0.10 0.00 0.00 59.98 60.11 2wbq h ARG 345 Cb 1.33 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.39 2wbq h ARG 345 CO 0.20 0.07 0.20 -0.22 0.10 0.00 0.00 179.97 180.31 2wbq h LYS 346 N 0.00 0.29 -0.25 0.08 3.64 -1.86 -2.30 116.57 116.18 2wbq h LYS 346 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2wbq h LYS 346 Cb 0.19 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2wbq h LYS 346 CO 0.01 0.20 0.00 0.00 -2.27 0.00 0.00 179.45 177.38 2wbq n ALA 347 N -2.51 2.43 -1.61 5.00 0.00 0.15 -4.87 120.51 119.09 2wbq n ALA 347 Ca 0.02 -0.88 -0.38 0.00 0.00 0.00 0.00 53.44 52.20 2wbq n ALA 347 Cb 0.15 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 2wbq n ALA 347 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2wbq s TRP 348 N -1.68 1.15 -0.99 0.00 0.52 -0.87 0.27 118.94 117.34 2wbq s TRP 348 Ca 0.35 1.22 -0.18 0.00 0.02 0.00 0.00 56.10 57.50 2wbq s TRP 348 Cb 0.22 -3.72 0.14 0.00 -1.15 0.00 0.00 33.47 28.95 2wbq s TRP 348 CO 0.31 -2.95 1.20 0.00 0.02 0.00 0.00 176.95 175.53 2wbq s ALA 349 N 10.82 3.47 0.00 0.98 0.00 -0.78 -4.39 121.76 131.87 2wbq s ALA 349 Ca 0.96 -2.87 0.00 0.00 0.00 0.00 0.00 51.96 50.05 2wbq s ALA 349 Cb -0.21 -4.08 0.00 0.00 0.00 0.00 0.00 23.12 18.83 2wbq s ALA 349 CO 0.28 -2.96 0.00 0.41 0.00 0.00 0.00 175.76 173.49 2wbq n GLY 350 N 5.27 0.59 3.03 0.00 0.00 -1.26 -4.78 105.19 108.04 2wbq n GLY 350 Ca 0.27 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 2wbq n GLY 350 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2wbq s ASP 351 N 0.00 0.52 0.13 1.61 -4.77 -1.26 -5.04 116.67 107.86 2wbq s ASP 351 Ca 0.00 -0.63 0.19 0.00 -3.30 0.00 0.00 52.55 48.80 2wbq s ASP 351 Cb 0.00 0.10 0.79 0.00 -1.09 0.00 0.00 42.92 42.71 2wbq s ASP 351 CO 0.00 -0.33 1.57 -1.54 0.70 0.00 0.00 175.17 175.57 2wbq n SER 352 N 1.20 0.34 -0.08 2.11 3.41 -1.26 -2.64 113.62 116.71 2wbq n SER 352 Ca -0.21 0.59 0.08 0.00 -0.26 0.00 0.00 58.87 59.07 2wbq n SER 352 Cb 0.56 -0.66 -0.08 0.00 -0.26 0.00 0.00 64.21 63.78 2wbq n SER 352 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2wbq n ARG 353 N -1.88 1.56 -4.03 4.33 5.12 -1.26 -4.81 116.66 115.70 2wbq n ARG 353 Ca 0.03 -0.16 -0.31 0.00 -1.93 0.00 0.00 57.85 55.47 2wbq n ARG 353 Cb 0.19 -1.29 -0.16 0.00 -1.16 0.00 0.00 32.46 30.04 2wbq n ARG 353 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2wbq s VAL 354 N -2.45 1.79 0.04 1.55 1.01 -1.08 -0.03 120.40 121.22 2wbq s VAL 354 Ca 0.08 -1.07 -0.06 0.00 0.00 0.00 0.00 61.98 60.93 2wbq s VAL 354 Cb 0.13 -1.81 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 2wbq s VAL 354 CO 0.63 0.22 0.29 -0.76 0.00 0.00 0.00 175.10 175.48 2wbq s LEU 355 N 1.34 4.35 0.00 3.92 1.43 0.38 -1.86 118.68 128.25 2wbq s LEU 355 Ca -0.01 0.56 0.00 0.00 -1.03 0.00 0.00 54.13 53.65 2wbq s LEU 355 Cb -0.16 -2.81 0.00 0.00 0.03 0.00 0.00 46.19 43.25 2wbq s LEU 355 CO -0.09 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.31