#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wbp s ARG 22 N 0.00 0.67 0.00 1.45 1.81 -1.26 -5.04 118.95 116.59 2wbp s ARG 22 Ca 0.00 -0.75 0.13 0.00 -1.72 0.00 0.00 55.73 53.39 2wbp s ARG 22 Cb 0.00 -0.57 0.80 0.00 -0.45 0.00 0.00 34.95 34.73 2wbp s ARG 22 CO 0.00 0.13 1.36 -0.35 -0.68 0.00 0.00 175.30 175.76 2wbp n PRO 23 N 1.65 0.79 -4.45 3.54 -0.04 -1.26 -4.77 135.00 130.46 2wbp n PRO 23 Ca -0.20 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.03 2wbp n PRO 23 Cb 0.55 -1.27 -0.10 0.00 -0.04 0.00 0.00 33.50 32.64 2wbp n PRO 23 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 2wbp s TRP 24 N -2.00 2.06 -0.18 0.54 -2.14 -1.26 -0.92 118.94 115.04 2wbp s TRP 24 Ca 0.20 -0.60 -0.11 0.00 2.66 0.00 0.00 56.10 58.25 2wbp s TRP 24 Cb 0.09 -1.12 -0.05 0.00 -3.10 0.00 0.00 33.47 29.30 2wbp s TRP 24 CO 0.16 0.40 0.18 -1.12 -2.66 0.00 0.00 176.95 173.91 2wbp s SER 25 N -3.47 6.29 0.03 -2.66 0.01 -0.32 -4.94 113.70 108.64 2wbp s SER 25 Ca 0.29 0.33 0.08 0.00 1.31 0.00 0.00 55.95 57.97 2wbp s SER 25 Cb 0.02 -2.11 -0.02 0.00 0.21 0.00 0.00 66.02 64.11 2wbp s SER 25 CO 0.13 0.18 -0.24 -0.70 0.41 0.00 0.00 173.24 173.02 2wbp s GLU 26 N 0.25 1.72 -0.03 12.44 2.12 -1.26 -0.33 118.70 133.61 2wbp s GLU 26 Ca 0.11 -0.98 0.02 0.00 0.36 0.00 0.00 54.97 54.48 2wbp s GLU 26 Cb -0.12 -1.81 0.01 0.00 0.26 0.00 0.00 34.13 32.47 2wbp s GLU 26 CO 0.00 0.47 -0.08 0.12 -0.54 0.00 0.00 175.26 175.23 2wbp s PHE 27 N -0.73 0.92 -0.19 5.30 5.36 0.29 -4.96 117.98 123.98 2wbp s PHE 27 Ca 0.10 -0.24 -0.01 0.00 -0.96 0.00 0.00 56.93 55.82 2wbp s PHE 27 Cb -0.09 -0.67 0.00 0.00 -0.34 0.00 0.00 43.02 41.92 2wbp s PHE 27 CO 0.01 -0.11 -0.12 0.50 -1.46 0.00 0.00 175.22 174.04 2wbp s ARG 28 N 0.27 3.21 0.30 10.12 3.52 -1.26 -0.56 118.95 134.55 2wbp s ARG 28 Ca -0.04 -0.72 -0.29 0.00 -0.13 0.00 0.00 55.73 54.54 2wbp s ARG 28 Cb -0.09 -2.76 -0.10 0.00 -1.56 0.00 0.00 34.95 30.43 2wbp s ARG 28 CO 0.01 -0.14 1.37 -0.51 -0.81 0.00 0.00 175.30 175.21 2wbp s LEU 29 N 1.24 4.40 0.75 -0.88 1.43 -0.46 -4.97 118.68 120.19 2wbp s LEU 29 Ca 0.03 2.70 -0.12 0.00 -1.03 0.00 0.00 54.13 55.71 2wbp s LEU 29 Cb -0.14 -3.64 0.05 0.00 0.03 0.00 0.00 46.19 42.49 2wbp s LEU 29 CO -0.06 -0.63 1.10 0.42 0.23 0.00 0.00 176.35 177.42 2wbp s THR 30 N -0.64 3.19 0.28 5.49 -4.23 -1.26 -4.81 115.64 113.65 2wbp s THR 30 Ca 0.54 0.44 0.01 0.00 -1.18 0.00 0.00 61.69 61.49 2wbp s THR 30 Cb -0.41 -2.90 0.27 0.00 1.34 0.00 0.00 72.50 70.80 2wbp s THR 30 CO 0.49 -0.46 1.82 -0.65 -0.54 0.00 0.00 174.62 175.29 2wbp h PRO 31 N -0.84 0.89 -0.49 3.99 0.11 -1.95 0.25 132.00 133.95 2wbp h PRO 31 Ca -0.44 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 2wbp h PRO 31 Cb 1.24 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 2wbp h PRO 31 CO 0.51 0.59 0.06 0.00 -0.21 0.00 0.00 178.00 178.96 2wbp h ALA 32 N 1.54 0.66 -0.50 -0.75 0.00 -1.99 -1.05 119.26 117.17 2wbp h ALA 32 Ca 0.49 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2wbp h ALA 32 Cb 0.52 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2wbp h ALA 32 CO -0.28 0.41 0.22 0.93 0.00 0.00 0.00 179.25 180.53 2wbp h GLU 33 N 0.70 0.74 -0.79 0.00 5.08 -1.79 -1.11 114.58 117.41 2wbp h GLU 33 Ca 0.15 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2wbp h GLU 33 Cb 0.42 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 2wbp h GLU 33 CO 0.01 0.64 0.30 0.00 -1.00 0.00 0.00 179.01 178.96 2wbp h ALA 34 N 1.06 1.03 -0.61 3.43 0.00 -0.81 -1.33 119.26 122.04 2wbp h ALA 34 Ca 0.17 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2wbp h ALA 34 Cb 0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2wbp h ALA 34 CO -0.02 0.67 -0.01 0.00 0.00 0.00 0.00 179.25 179.89 2wbp h ALA 35 N 1.16 0.82 -0.51 0.00 0.00 -1.02 -1.19 119.26 118.53 2wbp h ALA 35 Ca 0.26 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2wbp h ALA 35 Cb 0.24 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2wbp h ALA 35 CO -0.02 0.68 0.22 0.00 0.00 0.00 0.00 179.25 180.13 2wbp h ALA 36 N 0.99 0.66 -0.40 0.00 0.00 -0.84 -1.09 119.26 118.59 2wbp h ALA 36 Ca 0.17 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2wbp h ALA 36 Cb 0.58 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2wbp h ALA 36 CO 0.03 0.25 0.15 0.00 0.00 0.00 0.00 179.25 179.69 2wbp h ALA 37 N 1.07 0.52 -0.82 0.00 0.00 -1.11 -1.67 119.26 117.23 2wbp h ALA 37 Ca 0.17 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2wbp h ALA 37 Cb 0.16 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2wbp h ALA 37 CO -0.02 0.13 0.43 0.00 0.00 0.00 0.00 179.25 179.79 2wbp h ALA 38 N 1.00 1.21 -0.48 0.00 0.00 -1.08 -1.35 119.26 118.55 2wbp h ALA 38 Ca 0.13 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2wbp h ALA 38 Cb 0.20 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2wbp h ALA 38 CO -0.01 0.63 -0.13 0.00 0.00 0.00 0.00 179.25 179.74 2wbp h ALA 39 N 1.32 0.86 -0.35 0.00 0.00 -0.96 0.11 119.26 120.23 2wbp h ALA 39 Ca 0.29 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2wbp h ALA 39 Cb 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2wbp h ALA 39 CO -0.04 0.64 0.15 1.25 0.00 0.00 0.00 179.25 181.25 2wbp h LEU 40 N 0.80 0.48 -0.92 0.00 5.85 -0.94 -0.95 115.31 119.63 2wbp h LEU 40 Ca 0.13 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 2wbp h LEU 40 Cb 0.66 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 2wbp h LEU 40 CO 0.05 0.50 0.45 0.00 -0.34 0.00 0.00 178.44 179.10 2wbp h ALA 41 N 1.00 1.17 -0.68 1.25 0.00 -1.03 -1.50 119.26 119.46 2wbp h ALA 41 Ca 0.12 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2wbp h ALA 41 Cb 0.16 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2wbp h ALA 41 CO -0.01 0.65 0.13 0.00 0.00 0.00 0.00 179.25 180.02 2wbp h ALA 42 N 1.28 0.93 -0.52 0.00 0.00 -0.64 -0.74 119.26 119.58 2wbp h ALA 42 Ca 0.30 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2wbp h ALA 42 Cb 0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2wbp h ALA 42 CO -0.04 0.67 0.25 0.00 0.00 0.00 0.00 179.25 180.12 2wbp h ARG 43 N 1.05 0.75 -0.57 0.00 3.08 -0.75 -1.89 114.38 116.05 2wbp h ARG 43 Ca 0.21 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2wbp h ARG 43 Cb 0.42 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 2wbp h ARG 43 CO 0.01 0.62 0.37 0.00 -1.07 0.00 0.00 179.97 179.90 2wbp h ALA 45 N 1.20 1.59 -0.03 0.00 0.00 -0.79 -0.93 119.26 120.30 2wbp h ALA 45 Ca 0.21 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 2wbp h ALA 45 Cb -0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2wbp h ALA 45 CO -0.04 0.21 -0.69 1.96 0.00 0.00 0.00 179.25 180.68 2wbp h GLN 46 N 0.00 0.15 0.00 0.00 4.20 -0.75 -3.37 115.11 115.34 2wbp h GLN 46 Ca -0.00 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.54 2wbp h GLN 46 Cb 0.32 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 2wbp h GLN 46 CO 0.02 0.78 -1.71 0.54 -0.67 0.00 0.00 178.83 177.79 2wbp n ARG 47 N -3.78 0.64 -4.38 1.46 1.74 -0.63 -4.92 116.66 106.79 2wbp n ARG 47 Ca -0.02 -0.06 -0.28 0.00 -0.77 0.00 0.00 57.85 56.72 2wbp n ARG 47 Cb 0.67 -1.63 -0.13 0.00 -1.02 0.00 0.00 32.46 30.36 2wbp n ARG 47 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2wbp s TYR 48 N -3.35 2.22 0.12 -1.55 2.02 -0.45 -5.06 117.35 111.31 2wbp s TYR 48 Ca -0.06 -0.38 -0.07 0.00 -0.37 0.00 0.00 57.07 56.18 2wbp s TYR 48 Cb 0.12 -1.19 -0.10 0.00 -0.40 0.00 0.00 41.96 40.38 2wbp s TYR 48 CO 0.86 0.34 1.31 -0.44 -1.57 0.00 0.00 175.55 176.05 2wbp h ASP 49 N 3.80 0.69 -5.04 2.29 3.32 -1.88 -3.44 116.42 116.16 2wbp h ASP 49 Ca -0.49 -0.51 -0.06 0.00 0.02 0.00 0.00 57.03 55.98 2wbp h ASP 49 Cb 1.18 -0.21 -0.15 0.00 0.22 0.00 0.00 39.33 40.37 2wbp h ASP 49 CO 0.41 1.30 -0.04 -1.83 -1.72 0.00 0.00 179.24 177.35 2wbp s GLU 50 N -3.46 1.01 0.37 3.56 -1.05 -1.26 -5.04 118.70 112.83 2wbp s GLU 50 Ca -0.08 -0.41 0.16 0.00 -0.15 0.00 0.00 54.97 54.50 2wbp s GLU 50 Cb 0.09 0.45 0.72 0.00 -0.44 0.00 0.00 34.13 34.95 2wbp s GLU 50 CO 0.88 -0.37 1.78 1.15 0.95 0.00 0.00 175.26 179.65 2wbp h THR 51 N 2.74 1.09 -0.02 1.83 2.02 -1.96 -3.14 112.91 115.47 2wbp h THR 51 Ca -0.32 -1.44 0.00 0.00 0.77 0.00 0.00 66.41 65.42 2wbp h THR 51 Cb 1.22 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.46 2wbp h THR 51 CO 0.43 0.38 -0.24 0.47 0.37 0.00 0.00 175.52 176.94 2wbp n ASP 52 N -3.79 1.78 -4.74 4.18 10.43 -1.26 -4.10 116.55 119.05 2wbp n ASP 52 Ca -0.01 -1.40 -0.34 0.00 2.57 0.00 0.00 54.79 55.61 2wbp n ASP 52 Cb 0.46 0.20 0.08 0.00 1.84 0.00 0.00 41.12 43.70 2wbp n ASP 52 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 2wbp s GLY 53 N -2.32 2.27 0.34 0.44 0.00 -1.19 -4.84 107.32 102.03 2wbp s GLY 53 Ca 0.25 0.77 0.03 0.00 0.00 0.00 0.00 44.72 45.77 2wbp s GLY 53 CO 0.47 1.16 1.96 -2.55 0.00 0.00 0.00 173.10 174.13 2wbp h PRO 54 N -0.21 0.85 0.10 2.90 0.11 -1.91 -2.12 132.00 131.72 2wbp h PRO 54 Ca -0.47 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 2wbp h PRO 54 Cb 1.28 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2wbp h PRO 54 CO 0.51 0.56 -0.05 0.93 -0.21 0.00 0.00 178.00 179.74 2wbp h GLU 55 N 0.87 -0.13 -0.15 1.05 3.07 -1.93 -2.39 114.58 114.97 2wbp h GLU 55 Ca 0.31 0.01 -0.13 0.00 -0.50 0.00 0.00 59.36 59.05 2wbp h GLU 55 Cb 0.14 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 2wbp h GLU 55 CO -0.10 0.05 -0.48 0.35 -1.40 0.00 0.00 179.01 177.43 2wbp h PHE 56 N -0.29 0.46 -0.84 4.33 3.57 -1.78 -1.69 116.94 120.70 2wbp h PHE 56 Ca -0.01 -0.15 0.08 0.00 3.53 0.00 0.00 57.97 61.42 2wbp h PHE 56 Cb 0.24 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 38.82 2wbp h PHE 56 CO -0.02 0.79 0.51 -0.07 -2.23 0.00 0.00 178.31 177.29 2wbp h LEU 57 N 0.31 0.77 -0.28 0.59 3.38 -1.29 0.57 115.31 119.36 2wbp h LEU 57 Ca 0.02 0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.81 2wbp h LEU 57 Cb 0.96 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2wbp h LEU 57 CO 0.08 0.47 -0.79 -0.07 0.09 0.00 0.00 178.44 178.23 2wbp h LEU 58 N 0.90 0.65 0.00 1.67 3.38 -1.16 -3.35 115.31 117.40 2wbp h LEU 58 Ca 0.38 -0.44 -0.25 0.00 0.09 0.00 0.00 57.88 57.66 2wbp h LEU 58 Cb 0.25 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 2wbp h LEU 58 CO -0.20 1.21 -1.40 0.44 0.09 0.00 0.00 178.44 178.58 2wbp h ASP 59 N 0.36 0.00 -0.69 -0.43 3.32 -0.84 -3.39 116.42 114.75 2wbp h ASP 59 Ca -0.05 0.00 0.13 0.00 0.02 0.00 0.00 57.03 57.14 2wbp h ASP 59 Cb 1.39 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.85 2wbp h ASP 59 CO 0.14 0.97 0.21 0.00 -1.72 0.00 0.00 179.24 178.84 2wbp h ALA 60 N 1.03 0.91 0.00 3.45 0.00 -1.03 -0.83 119.26 122.79 2wbp h ALA 60 Ca -0.17 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2wbp h ALA 60 Cb 1.89 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.82 2wbp h ALA 60 CO 0.10 -0.27 -0.07 -1.35 0.00 0.00 0.00 179.25 177.66 2wbp h PRO 61 N 0.34 0.00 0.14 0.00 0.11 -1.80 0.23 132.00 131.04 2wbp h PRO 61 Ca 0.38 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 66.16 2wbp h PRO 61 Cb 0.58 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.69 2wbp h PRO 61 CO -0.42 0.07 -1.64 0.28 -0.21 0.00 0.00 178.00 176.08 2wbp h VAL 62 N 0.00 1.04 -0.48 3.15 2.07 -1.55 -3.28 116.25 117.20 2wbp h VAL 62 Ca -0.00 -2.67 -0.03 0.00 0.82 0.00 0.00 66.70 64.83 2wbp h VAL 62 Cb 0.14 2.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 2wbp h VAL 62 CO 0.01 0.83 0.18 0.40 0.02 0.00 0.00 177.57 179.01 2wbp h ILE 63 N 0.08 1.18 -0.07 4.57 2.04 -0.97 -1.81 117.51 122.54 2wbp h ILE 63 Ca -0.29 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.00 2wbp h ILE 63 Cb 2.05 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 38.75 2wbp h ILE 63 CO 0.17 0.23 0.10 0.00 0.00 0.00 0.00 178.15 178.64 2wbp h ALA 64 N 1.51 1.55 0.00 1.87 0.00 -1.00 -0.07 119.26 123.12 2wbp h ALA 64 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2wbp h ALA 64 Cb 0.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2wbp h ALA 64 CO -0.01 -0.14 0.01 0.45 0.00 0.00 0.00 179.25 179.56 2wbp h HIS 65 N 0.00 0.00 -0.01 0.00 3.86 -1.42 -1.76 115.15 115.83 2wbp h HIS 65 Ca 0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2wbp h HIS 65 Cb 0.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.70 2wbp h HIS 65 CO 0.00 0.00 -0.11 0.39 0.86 0.00 0.00 177.93 179.07 2wbp n GLU 66 N -2.80 1.15 -0.90 2.45 1.02 -0.04 -4.94 120.64 116.59 2wbp n GLU 66 Ca -0.02 -0.60 -0.30 0.00 -0.02 0.00 0.00 57.16 56.21 2wbp n GLU 66 Cb 0.07 -1.49 0.17 0.00 -0.02 0.00 0.00 31.44 30.16 2wbp n GLU 66 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2wbp s LEU 67 N -2.26 2.27 0.20 -4.62 1.43 -0.66 -4.91 118.68 110.12 2wbp s LEU 67 Ca 0.32 1.79 -0.32 0.00 -1.03 0.00 0.00 54.13 54.88 2wbp s LEU 67 Cb 0.20 -4.12 -0.14 0.00 0.03 0.00 0.00 46.19 42.16 2wbp s LEU 67 CO 0.43 -3.05 1.38 -2.65 0.23 0.00 0.00 176.35 172.69 2wbp n PRO 68 N -4.17 1.81 -0.33 1.29 -0.02 -1.26 -4.81 135.00 127.51 2wbp n PRO 68 Ca 0.08 0.65 0.01 0.00 -2.02 0.00 0.00 63.50 62.22 2wbp n PRO 68 Cb 0.54 -2.29 0.19 0.00 -0.02 0.00 0.00 33.50 31.91 2wbp n PRO 68 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2wbp h ARG 69 N 4.35 1.14 -0.20 -0.52 2.43 -1.94 -1.78 114.38 117.86 2wbp h ARG 69 Ca -0.45 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 58.60 2wbp h ARG 69 Cb 1.29 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 2wbp h ARG 69 CO 0.77 0.75 -0.11 -0.09 -1.51 0.00 0.00 179.97 179.78 2wbp h ARG 70 N 1.17 0.33 -0.25 0.20 2.43 -1.99 0.08 114.38 116.34 2wbp h ARG 70 Ca 0.37 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 59.35 2wbp h ARG 70 Cb 0.01 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2wbp h ARG 70 CO -0.11 0.45 -0.28 1.25 -1.51 0.00 0.00 179.97 179.76 2wbp h LEU 71 N 0.31 0.68 -1.06 3.80 5.85 -1.72 -1.85 115.31 121.31 2wbp h LEU 71 Ca 0.06 -0.49 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 2wbp h LEU 71 Cb 0.39 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 2wbp h LEU 71 CO 0.02 1.03 0.42 0.03 -0.34 0.00 0.00 178.44 179.60 2wbp h ARG 72 N 0.34 1.08 -0.24 1.25 3.08 -0.76 -0.75 114.38 118.38 2wbp h ARG 72 Ca 0.03 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 2wbp h ARG 72 Cb 0.85 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 2wbp h ARG 72 CO 0.07 0.79 0.08 1.15 -1.07 0.00 0.00 179.97 180.99 2wbp h THR 73 N 1.09 1.19 -0.35 2.04 2.02 -0.95 -1.34 112.91 116.61 2wbp h THR 73 Ca 0.27 -0.60 0.05 0.00 0.77 0.00 0.00 66.41 66.90 2wbp h THR 73 Cb 0.03 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 2wbp h THR 73 CO -0.04 0.20 0.10 0.15 0.37 0.00 0.00 175.52 176.29 2wbp h PHE 74 N 0.22 0.18 -0.54 3.16 3.57 -0.92 -1.57 116.94 121.03 2wbp h PHE 74 Ca 0.08 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 2wbp h PHE 74 Cb 0.23 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2wbp h PHE 74 CO 0.00 0.06 0.08 0.52 -2.23 0.00 0.00 178.31 176.74 2wbp h MET 75 N 0.24 0.91 -0.62 1.11 2.86 -0.98 0.16 114.93 118.61 2wbp h MET 75 Ca 0.16 -0.25 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 2wbp h MET 75 Cb 0.16 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 2wbp h MET 75 CO -0.19 0.89 0.15 0.00 1.06 0.00 0.00 176.91 178.82 2wbp h ALA 76 N 0.99 0.81 0.16 6.32 0.00 -1.11 -2.88 119.26 123.56 2wbp h ALA 76 Ca 0.16 -0.23 -0.23 0.00 0.00 0.00 0.00 54.91 54.61 2wbp h ALA 76 Cb 0.43 -0.24 0.02 0.00 0.00 0.00 0.00 17.79 18.00 2wbp h ALA 76 CO 0.01 0.53 -1.03 0.00 0.00 0.00 0.00 179.25 178.75 2wbp h ARG 77 N 0.90 0.35 -0.16 0.00 3.08 -1.11 -3.35 114.38 114.09 2wbp h ARG 77 Ca 0.19 -0.60 -0.09 0.00 0.07 0.00 0.00 59.98 59.56 2wbp h ARG 77 Cb 0.36 0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 2wbp h ARG 77 CO 0.00 1.29 -0.29 0.00 -1.07 0.00 0.00 179.97 179.90 2wbp h ALA 78 N 0.08 1.20 0.00 0.04 0.00 -0.75 -1.53 119.26 118.30 2wbp h ALA 78 Ca -0.19 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 2wbp h ALA 78 Cb 1.78 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 2wbp h ALA 78 CO 0.17 0.52 -0.18 -0.09 0.00 0.00 0.00 179.25 179.67 2wbp h ARG 79 N 0.28 0.00 -0.00 0.00 2.43 -1.65 -2.66 114.38 112.77 2wbp h ARG 79 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2wbp h ARG 79 Cb 0.66 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2wbp h ARG 79 CO 0.05 0.18 -0.37 1.28 -1.51 0.00 0.00 179.97 179.61 2wbp n LEU 80 N -3.62 0.54 -4.76 3.80 4.77 -0.60 -4.91 117.00 112.22 2wbp n LEU 80 Ca -0.01 0.01 -0.35 0.00 -0.03 0.00 0.00 56.01 55.62 2wbp n LEU 80 Cb 0.32 -0.25 0.03 0.00 -2.33 0.00 0.00 43.42 41.18 2wbp n LEU 80 CO 0.32 0.12 0.81 -1.81 -1.33 0.00 0.00 177.39 175.50 2wbp s ASP 81 N -2.86 5.32 0.35 -1.43 1.01 -1.01 -4.94 116.67 113.11 2wbp s ASP 81 Ca 0.15 2.27 0.20 0.00 0.71 0.00 0.00 52.55 55.89 2wbp s ASP 81 Cb 0.18 -2.59 0.19 0.00 1.01 0.00 0.00 42.92 41.72 2wbp s ASP 81 CO 0.63 -1.50 1.45 0.00 0.21 0.00 0.00 175.17 175.97 2wbp h ALA 82 N 0.85 0.83 0.00 5.23 0.00 -1.91 -3.41 119.26 120.86 2wbp h ALA 82 Ca -0.50 -0.18 -0.29 0.00 0.00 0.00 0.00 54.91 53.94 2wbp h ALA 82 Cb 1.28 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 2wbp h ALA 82 CO 0.55 0.23 -2.09 -2.67 0.00 0.00 0.00 179.25 175.28 2wbp n TRP 83 N -3.08 0.00 -2.16 0.00 4.27 -1.26 -5.04 117.44 110.18 2wbp n TRP 83 Ca 0.02 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.26 2wbp n TRP 83 Cb 0.61 -0.76 -0.00 0.00 -1.36 0.00 0.00 31.31 29.80 2wbp n TRP 83 CO 0.00 0.00 0.00 -1.25 -2.29 0.00 0.00 177.69 174.15 2wbp s PRO 84 N -2.38 3.68 0.35 -2.67 0.04 -1.26 -4.92 135.00 127.84 2wbp s PRO 84 Ca -0.18 1.89 0.22 0.00 0.04 0.00 0.00 61.00 62.98 2wbp s PRO 84 Cb 0.06 -2.43 0.20 0.00 0.04 0.00 0.00 34.50 32.37 2wbp s PRO 84 CO 0.53 -0.65 1.40 0.45 0.04 0.00 0.00 177.00 178.77 2wbp h HIS 85 N 2.03 0.00 -2.85 0.56 3.86 -1.39 -3.46 115.15 113.91 2wbp h HIS 85 Ca -0.50 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.70 2wbp h HIS 85 Cb 1.26 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.60 2wbp h HIS 85 CO 0.52 0.03 0.23 0.00 0.86 0.00 0.00 177.93 179.57 2wbp s ALA 86 N -3.25 -1.63 -0.21 2.45 0.00 -1.26 -0.94 121.76 116.92 2wbp s ALA 86 Ca 0.04 0.61 -0.04 0.00 0.00 0.00 0.00 51.96 52.57 2wbp s ALA 86 Cb 0.07 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 23.94 2wbp s ALA 86 CO 0.72 -0.72 -0.04 -0.51 0.00 0.00 0.00 175.76 175.21 2wbp s LEU 87 N -2.57 2.99 -0.12 0.00 1.02 -0.16 -1.17 118.68 118.66 2wbp s LEU 87 Ca 0.00 -0.33 0.03 0.00 0.02 0.00 0.00 54.13 53.86 2wbp s LEU 87 Cb -0.01 -1.75 0.00 0.00 0.02 0.00 0.00 46.19 44.45 2wbp s LEU 87 CO -0.10 0.02 -0.23 -0.69 0.02 0.00 0.00 176.35 175.37 2wbp s VAL 88 N 1.22 2.08 -0.26 -1.59 1.01 0.55 -0.23 120.40 123.18 2wbp s VAL 88 Ca 0.03 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 2wbp s VAL 88 Cb -0.14 -1.81 0.03 0.00 0.00 0.00 0.00 36.38 34.46 2wbp s VAL 88 CO -0.01 0.55 -0.05 -0.69 0.00 0.00 0.00 175.10 174.91 2wbp s VAL 89 N 0.59 2.87 0.14 2.92 1.01 0.10 -0.55 120.40 127.49 2wbp s VAL 89 Ca -0.13 -1.11 -0.00 0.00 0.00 0.00 0.00 61.98 60.74 2wbp s VAL 89 Cb -0.17 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 2wbp s VAL 89 CO 0.03 0.13 0.31 -0.13 0.00 0.00 0.00 175.10 175.45 2wbp s ARG 90 N 1.30 3.50 0.00 2.72 1.81 0.28 -0.94 118.95 127.61 2wbp s ARG 90 Ca -0.01 -0.38 0.00 0.00 -1.72 0.00 0.00 55.73 53.61 2wbp s ARG 90 Cb -0.17 -2.93 0.00 0.00 -0.45 0.00 0.00 34.95 31.40 2wbp s ARG 90 CO -0.04 0.50 0.00 0.41 -0.68 0.00 0.00 175.30 175.49 2wbp n GLY 91 N -0.25 1.17 3.69 -3.53 0.00 -1.25 -1.35 105.19 103.67 2wbp n GLY 91 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2wbp n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wbp s ASN 92 N -2.00 7.23 0.35 1.61 0.01 -1.05 -4.80 114.94 116.29 2wbp s ASN 92 Ca 0.00 1.51 -0.28 0.00 -0.71 0.00 0.00 52.86 53.38 2wbp s ASN 92 Cb 0.00 -2.55 -0.10 0.00 0.41 0.00 0.00 41.25 39.01 2wbp s ASN 92 CO 0.00 -0.45 1.29 -2.16 -1.51 0.00 0.00 177.10 174.27 2wbp s PRO 93 N 2.05 4.28 -0.04 -0.60 0.04 -1.26 -4.15 135.00 135.32 2wbp s PRO 93 Ca 0.48 2.17 -0.01 0.00 0.04 0.00 0.00 61.00 63.68 2wbp s PRO 93 Cb -0.18 -3.00 0.03 0.00 0.04 0.00 0.00 34.50 31.39 2wbp s PRO 93 CO 0.17 -0.23 0.01 0.08 0.04 0.00 0.00 177.00 177.07 2wbp s VAL 94 N -1.18 0.19 -0.40 -0.36 1.01 -1.26 -4.96 120.40 113.45 2wbp s VAL 94 Ca 0.50 0.15 -0.15 0.00 0.00 0.00 0.00 61.98 62.49 2wbp s VAL 94 Cb -0.39 -0.33 0.01 0.00 0.00 0.00 0.00 36.38 35.68 2wbp s VAL 94 CO 0.51 0.19 0.29 -0.62 0.00 0.00 0.00 175.10 175.46 2wbp s ASP 95 N 1.50 6.09 0.42 3.32 -1.08 -1.26 -4.97 116.67 120.68 2wbp s ASP 95 Ca -0.03 -0.84 0.12 0.00 -0.52 0.00 0.00 52.55 51.28 2wbp s ASP 95 Cb -0.13 -2.15 0.96 0.00 -1.46 0.00 0.00 42.92 40.14 2wbp s ASP 95 CO -0.03 -0.42 1.99 0.44 0.52 0.00 0.00 175.17 177.67 2wbp h ASP 96 N 8.60 0.43 -0.45 -0.34 3.32 -1.96 -0.20 116.42 125.82 2wbp h ASP 96 Ca -0.28 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.70 2wbp h ASP 96 Cb 1.12 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 2wbp h ASP 96 CO 0.71 0.27 -0.03 0.00 -1.72 0.00 0.00 179.24 178.47 2wbp h ALA 97 N 1.69 0.61 -0.25 3.45 0.00 -1.93 -1.99 119.26 120.84 2wbp h ALA 97 Ca 0.27 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2wbp h ALA 97 Cb 0.42 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2wbp h ALA 97 CO -0.08 0.43 -0.42 0.00 0.00 0.00 0.00 179.25 179.18 2wbp h ALA 98 N 0.90 0.79 -0.43 0.00 0.00 -1.77 -3.25 119.26 115.50 2wbp h ALA 98 Ca 0.12 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 2wbp h ALA 98 Cb 0.54 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2wbp h ALA 98 CO 0.03 0.66 0.02 1.25 0.00 0.00 0.00 179.25 181.21 2wbp h LEU 99 N 0.50 0.72 0.00 0.00 5.85 -0.91 -3.37 115.31 118.10 2wbp h LEU 99 Ca 0.04 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.47 2wbp h LEU 99 Cb 0.94 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.78 2wbp h LEU 99 CO 0.08 0.83 0.00 0.61 -0.34 0.00 0.00 178.44 179.63 2wbp n GLY 100 N -0.41 -3.01 3.77 3.75 0.00 -0.76 -4.16 105.19 104.37 2wbp n GLY 100 Ca -0.00 -1.75 -0.34 0.00 0.00 0.00 0.00 46.02 43.93 2wbp n GLY 100 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wbp s SER 101 N -1.38 5.43 0.17 1.61 1.04 -1.26 -4.95 113.70 114.36 2wbp s SER 101 Ca 0.00 2.12 -0.31 0.00 0.48 0.00 0.00 55.95 58.24 2wbp s SER 101 Cb 0.00 -2.57 -0.10 0.00 0.10 0.00 0.00 66.02 63.45 2wbp s SER 101 CO 0.00 -1.41 1.56 -0.89 0.98 0.00 0.00 173.24 173.48 2wbp s THR 102 N -1.98 2.61 0.87 2.02 2.01 0.27 -4.97 115.64 116.48 2wbp s THR 102 Ca 0.71 0.44 -0.11 0.00 0.31 0.00 0.00 61.69 63.05 2wbp s THR 102 Cb -0.23 -3.28 0.12 0.00 0.01 0.00 0.00 72.50 69.12 2wbp s THR 102 CO 0.33 0.04 1.15 -2.84 -0.69 0.00 0.00 174.62 172.61 2wbp s PRO 103 N 1.07 1.29 0.00 4.92 0.02 -1.26 -4.74 135.00 136.30 2wbp s PRO 103 Ca 0.70 1.55 0.26 0.00 0.02 0.00 0.00 61.00 63.52 2wbp s PRO 103 Cb -0.44 -1.76 0.65 0.00 0.02 0.00 0.00 34.50 32.98 2wbp s PRO 103 CO 0.32 -2.43 1.51 1.33 -0.33 0.00 0.00 177.00 177.40 2wbp n VAL 104 N -3.95 0.00 -3.51 3.83 0.24 -1.26 -4.89 118.33 108.79 2wbp n VAL 104 Ca 0.12 -0.01 -0.15 0.00 -2.04 0.00 0.00 64.34 62.25 2wbp n VAL 104 Cb 0.52 0.15 -0.05 0.00 -1.47 0.00 0.00 33.84 33.00 2wbp n VAL 104 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2wbp s HIS 105 N -2.93 -0.57 0.45 6.34 5.65 -1.26 -4.54 115.29 118.43 2wbp s HIS 105 Ca 0.13 0.75 0.21 0.00 0.25 0.00 0.00 55.06 56.41 2wbp s HIS 105 Cb 0.18 0.44 1.28 0.00 -1.18 0.00 0.00 32.58 33.29 2wbp s HIS 105 CO 0.65 -0.68 2.06 0.11 -0.65 0.00 0.00 174.74 176.22 2wbp h TRP 106 N 2.68 0.00 -0.80 3.88 5.08 -1.92 -3.05 115.95 121.82 2wbp h TRP 106 Ca -0.30 0.00 0.04 0.00 1.08 0.00 0.00 58.89 59.71 2wbp h TRP 106 Cb 1.21 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 27.32 2wbp h TRP 106 CO 0.33 0.14 0.53 0.00 -1.28 0.00 0.00 178.44 178.16 2wbp h ARG 107 N 0.00 0.95 -0.45 0.12 3.08 -1.99 -1.81 114.38 114.27 2wbp h ARG 107 Ca -0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2wbp h ARG 107 Cb 0.29 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2wbp h ARG 107 CO 0.02 0.63 0.00 0.25 -1.07 0.00 0.00 179.97 179.80 2wbp n THR 108 N -4.45 2.47 1.44 2.04 -2.24 -1.16 -4.57 114.28 107.81 2wbp n THR 108 Ca 0.10 -1.57 0.14 0.00 -2.27 0.00 0.00 64.05 60.45 2wbp n THR 108 Cb 0.12 -0.22 0.48 0.00 -2.10 0.00 0.00 70.33 68.62 2wbp n THR 108 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wbp n ALA 109 N 0.22 2.56 -2.07 6.98 0.00 -0.68 -4.39 120.51 123.13 2wbp n ALA 109 Ca 0.25 -0.47 -0.42 0.00 0.00 0.00 0.00 53.44 52.79 2wbp n ALA 109 Cb 1.04 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 19.36 2wbp n ALA 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wbp n ARG 110 N 0.29 3.37 -3.01 0.00 1.74 -1.26 -4.93 116.66 112.86 2wbp n ARG 110 Ca 0.18 -3.14 -0.31 0.00 -0.77 0.00 0.00 57.85 53.81 2wbp n ARG 110 Cb 0.38 -3.05 -0.04 0.00 -1.02 0.00 0.00 32.46 28.72 2wbp n ARG 110 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2wbp s THR 111 N 1.43 4.76 0.37 0.55 -4.23 -1.26 -4.95 115.64 112.30 2wbp s THR 111 Ca 0.44 0.73 0.05 0.00 -1.18 0.00 0.00 61.69 61.73 2wbp s THR 111 Cb 0.12 -3.68 0.28 0.00 1.34 0.00 0.00 72.50 70.56 2wbp s THR 111 CO -0.04 -0.36 2.00 -0.65 -0.54 0.00 0.00 174.62 175.04 2wbp h PRO 112 N 1.74 0.72 0.00 3.99 0.11 -1.93 -1.83 132.00 134.79 2wbp h PRO 112 Ca -0.47 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 2wbp h PRO 112 Cb 1.18 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2wbp h PRO 112 CO 0.65 0.47 -0.18 0.78 -0.21 0.00 0.00 178.00 179.51 2wbp h GLY 113 N 0.74 0.00 0.44 -0.55 0.00 -1.73 -2.74 103.07 99.22 2wbp h GLY 113 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2wbp h GLY 113 CO -0.07 0.00 -0.52 -1.14 0.00 0.00 0.00 176.54 174.81 2wbp n SER 114 N -3.76 0.87 -0.10 0.19 3.41 -0.73 -4.47 113.62 109.02 2wbp n SER 114 Ca -0.02 -0.67 -0.10 0.00 -0.26 0.00 0.00 58.87 57.83 2wbp n SER 114 Cb 0.29 0.37 -0.02 0.00 -0.26 0.00 0.00 64.21 64.60 2wbp n SER 114 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2wbp h ARG 115 N 0.54 0.48 -0.43 4.33 2.43 -1.12 -1.85 114.38 118.76 2wbp h ARG 115 Ca 0.00 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 2wbp h ARG 115 Cb 0.52 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 2wbp h ARG 115 CO 0.00 0.46 0.20 -1.35 -1.51 0.00 0.00 179.97 177.77 2wbp h PRO 116 N 0.38 0.60 -0.03 0.20 0.11 -1.80 -2.00 132.00 129.46 2wbp h PRO 116 Ca 0.11 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 66.04 2wbp h PRO 116 Cb 0.15 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 2wbp h PRO 116 CO -0.01 0.47 -0.52 -0.07 -0.21 0.00 0.00 178.00 177.66 2wbp h LEU 117 N 0.60 0.10 -0.42 2.35 3.38 -1.74 -0.76 115.31 118.84 2wbp h LEU 117 Ca 0.15 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2wbp h LEU 117 Cb 0.07 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2wbp h LEU 117 CO -0.02 0.61 0.01 0.28 0.09 0.00 0.00 178.44 179.40 2wbp h SER 118 N 0.07 0.71 -0.78 -0.43 0.02 -0.68 -0.75 113.55 111.71 2wbp h SER 118 Ca -0.00 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.64 2wbp h SER 118 Cb 0.95 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.26 2wbp h SER 118 CO 0.07 0.84 0.44 -0.26 -1.14 0.00 0.00 176.83 176.79 2wbp h PHE 119 N 0.56 1.06 -0.19 3.45 -1.00 -1.10 -2.18 116.94 117.54 2wbp h PHE 119 Ca 0.12 -0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.89 2wbp h PHE 119 Cb 0.47 -0.34 -0.02 0.00 3.61 0.00 0.00 35.95 39.67 2wbp h PHE 119 CO 0.04 0.73 0.09 1.25 -1.61 0.00 0.00 178.31 178.81 2wbp h LEU 120 N 1.08 0.13 -0.57 1.54 5.85 -0.85 -0.99 115.31 121.49 2wbp h LEU 120 Ca 0.28 0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.06 2wbp h LEU 120 Cb 0.01 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 2wbp h LEU 120 CO -0.05 0.10 0.29 0.25 -0.34 0.00 0.00 178.44 178.69 2wbp h LEU 121 N 0.20 0.40 -0.78 2.25 5.85 -0.97 -1.41 115.31 120.84 2wbp h LEU 121 Ca 0.08 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2wbp h LEU 121 Cb 0.02 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2wbp h LEU 121 CO -0.06 0.27 0.47 0.24 -0.34 0.00 0.00 178.44 179.02 2wbp h MET 122 N 0.54 1.06 -0.35 1.25 2.86 -1.01 -0.36 114.93 118.92 2wbp h MET 122 Ca 0.26 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 2wbp h MET 122 Cb 0.19 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 2wbp h MET 122 CO -0.19 0.75 0.14 -0.07 1.06 0.00 0.00 176.91 178.60 2wbp h LEU 123 N 1.07 0.49 -0.44 1.22 3.38 -0.66 -1.15 115.31 119.22 2wbp h LEU 123 Ca 0.28 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.10 2wbp h LEU 123 Cb -0.04 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2wbp h LEU 123 CO -0.05 0.53 0.26 1.88 0.09 0.00 0.00 178.44 181.14 2wbp h TYR 124 N 0.43 0.48 -0.64 1.13 0.05 -1.08 -2.48 116.97 114.85 2wbp h TYR 124 Ca 0.12 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.90 2wbp h TYR 124 Cb 0.19 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.74 2wbp h TYR 124 CO -0.00 0.28 0.34 0.00 -1.05 0.00 0.00 178.16 177.73 2wbp h ALA 125 N 1.20 1.39 0.00 3.88 0.00 -0.88 -1.92 119.26 122.94 2wbp h ALA 125 Ca 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2wbp h ALA 125 Cb 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2wbp h ALA 125 CO -0.09 0.50 0.00 0.41 0.00 0.00 0.00 179.25 180.07 2wbp n GLY 126 N -1.22 -1.12 0.23 0.00 0.00 -0.45 -0.84 105.19 101.80 2wbp n GLY 126 Ca 0.06 0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.33 2wbp n GLY 126 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wbp h LEU 127 N 0.00 0.00 0.00 0.99 3.38 -1.32 -3.36 115.31 115.00 2wbp h LEU 127 Ca 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 2wbp h LEU 127 Cb 0.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 2wbp h LEU 127 CO 0.00 0.09 -2.14 0.18 0.09 0.00 0.00 178.44 176.66 2wbp n LEU 128 N -3.16 0.00 0.00 1.67 4.77 -0.02 -4.85 117.00 115.41 2wbp n LEU 128 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2wbp n LEU 128 Cb 0.45 0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 2wbp n LEU 128 CO 0.32 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 2wbp n GLY 129 N 1.61 -0.52 3.62 -0.72 0.00 -0.96 -4.74 105.19 103.48 2wbp n GLY 129 Ca -0.19 -0.93 -0.38 0.00 0.00 0.00 0.00 46.02 44.52 2wbp n GLY 129 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wbp s ASP 130 N -4.00 6.23 0.39 1.61 1.01 0.66 -4.35 116.67 118.22 2wbp s ASP 130 Ca 0.00 0.26 -0.17 0.00 0.71 0.00 0.00 52.55 53.35 2wbp s ASP 130 Cb 0.00 -2.19 -0.09 0.00 1.01 0.00 0.00 42.92 41.65 2wbp s ASP 130 CO 0.00 -0.11 0.85 0.68 0.21 0.00 0.00 175.17 176.80 2wbp s VAL 131 N 1.73 4.56 0.23 -1.27 -7.23 -1.26 -0.61 120.40 116.55 2wbp s VAL 131 Ca 0.13 1.15 -0.19 0.00 -1.81 0.00 0.00 61.98 61.27 2wbp s VAL 131 Cb -0.15 -3.63 0.03 0.00 0.56 0.00 0.00 36.38 33.18 2wbp s VAL 131 CO 0.09 -0.32 0.59 0.72 -0.31 0.00 0.00 175.10 175.87 2wbp s PHE 132 N -2.16 -0.12 0.03 2.82 -0.12 -0.81 -4.84 117.98 112.78 2wbp s PHE 132 Ca 0.57 -0.25 0.00 0.00 -0.05 0.00 0.00 56.93 57.20 2wbp s PHE 132 Cb -0.10 0.49 -0.00 0.00 -0.63 0.00 0.00 43.02 42.78 2wbp s PHE 132 CO 0.18 -1.03 0.01 0.41 -0.05 0.00 0.00 175.22 174.75 2wbp n GLY 133 N -0.39 4.05 3.05 1.99 0.00 0.11 -3.97 105.19 110.02 2wbp n GLY 133 Ca -0.08 -1.97 -0.25 0.00 0.00 0.00 0.00 46.02 43.73 2wbp n GLY 133 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wbp s TRP 134 N -1.60 1.52 0.53 1.61 0.52 -1.26 -0.80 118.94 119.45 2wbp s TRP 134 Ca 0.02 -0.55 0.25 0.00 0.02 0.00 0.00 56.10 55.84 2wbp s TRP 134 Cb 0.00 -1.10 1.38 0.00 -1.15 0.00 0.00 33.47 32.60 2wbp s TRP 134 CO 0.01 -0.26 1.99 0.00 0.02 0.00 0.00 176.95 178.71 2wbp h ALA 135 N 6.85 2.48 -0.53 0.98 0.00 -1.25 -1.98 119.26 125.81 2wbp h ALA 135 Ca -0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2wbp h ALA 135 Cb 1.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2wbp h ALA 135 CO 0.48 -0.63 0.00 0.25 0.00 0.00 0.00 179.25 179.35 2wbp n THR 136 N -4.38 0.70 -4.05 0.00 -2.24 -1.26 -3.91 114.28 99.14 2wbp n THR 136 Ca 0.10 -0.80 -0.24 0.00 -2.27 0.00 0.00 64.05 60.84 2wbp n THR 136 Cb 0.60 0.62 -0.17 0.00 -2.10 0.00 0.00 70.33 69.28 2wbp n THR 136 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2wbp s GLN 137 N -1.30 1.14 -1.43 -0.78 0.74 -0.75 -4.24 119.66 113.04 2wbp s GLN 137 Ca 0.42 -0.15 -0.08 0.00 0.05 0.00 0.00 55.36 55.60 2wbp s GLN 137 Cb 0.23 -1.21 0.01 0.00 1.10 0.00 0.00 33.01 33.14 2wbp s GLN 137 CO 0.30 -0.18 0.27 1.04 -0.55 0.00 0.00 175.29 176.17 2wbp n GLN 138 N 4.58 -1.38 -2.32 1.67 6.02 -1.26 -1.42 117.38 123.28 2wbp n GLN 138 Ca -0.16 0.18 -0.20 0.00 -0.01 0.00 0.00 57.00 56.81 2wbp n GLN 138 Cb 0.50 -3.63 -0.02 0.00 1.02 0.00 0.00 30.24 28.12 2wbp n GLN 138 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2wbp n ASP 139 N -2.76 -5.68 -0.27 1.08 8.00 -1.26 -1.88 116.55 113.78 2wbp n ASP 139 Ca -0.27 0.06 -0.03 0.00 0.71 0.00 0.00 54.79 55.25 2wbp n ASP 139 Cb 0.66 -4.77 -0.01 0.00 -0.02 0.00 0.00 41.12 36.98 2wbp n ASP 139 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wbp n GLY 140 N -0.93 0.62 3.76 0.44 0.00 -0.50 -5.00 105.19 103.58 2wbp n GLY 140 Ca -0.23 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 2wbp n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wbp s ARG 141 N -1.60 3.67 -0.17 1.61 0.52 -0.79 -4.53 118.95 117.66 2wbp s ARG 141 Ca 0.00 2.22 -0.26 0.00 -0.52 0.00 0.00 55.73 57.17 2wbp s ARG 141 Cb 0.00 -2.58 -0.23 0.00 0.52 0.00 0.00 34.95 32.66 2wbp s ARG 141 CO 0.00 -0.76 0.55 0.28 0.02 0.00 0.00 175.30 175.39 2wbp h VAL 142 N 2.12 1.45 -3.48 3.52 2.07 -1.91 -3.40 116.25 116.62 2wbp h VAL 142 Ca -0.50 -2.28 -0.61 0.00 0.82 0.00 0.00 66.70 64.13 2wbp h VAL 142 Cb 1.26 2.93 -0.11 0.00 -1.52 0.00 0.00 31.29 33.86 2wbp h VAL 142 CO 0.61 0.49 0.41 -0.69 0.02 0.00 0.00 177.57 178.41 2wbp s VAL 143 N -2.28 4.74 0.49 2.57 1.01 -1.26 -4.44 120.40 121.24 2wbp s VAL 143 Ca -0.23 1.05 0.06 0.00 0.00 0.00 0.00 61.98 62.87 2wbp s VAL 143 Cb 0.01 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.20 2wbp s VAL 143 CO 0.65 -0.36 0.39 0.42 0.00 0.00 0.00 175.10 176.20 2wbp s THR 144 N 3.07 2.04 -0.02 3.92 -4.23 0.12 -4.91 115.64 115.63 2wbp s THR 144 Ca 0.32 -1.45 0.07 0.00 -1.18 0.00 0.00 61.69 59.45 2wbp s THR 144 Cb -0.13 -2.49 -0.02 0.00 1.34 0.00 0.00 72.50 71.20 2wbp s THR 144 CO 0.15 0.00 -0.22 -1.81 -0.54 0.00 0.00 174.62 172.20 2wbp s ASP 145 N -4.21 2.54 -0.23 3.99 1.01 -1.26 -0.93 116.67 117.59 2wbp s ASP 145 Ca 0.40 -0.39 0.00 0.00 0.71 0.00 0.00 52.55 53.27 2wbp s ASP 145 Cb -0.02 -0.29 0.03 0.00 1.01 0.00 0.00 42.92 43.65 2wbp s ASP 145 CO 0.24 0.27 -0.12 -0.69 0.21 0.00 0.00 175.17 175.07 2wbp s VAL 146 N -0.50 2.41 -0.02 -1.27 1.01 0.19 -4.94 120.40 117.29 2wbp s VAL 146 Ca 0.08 -1.14 -0.29 0.00 0.00 0.00 0.00 61.98 60.63 2wbp s VAL 146 Cb -0.08 -2.20 0.08 0.00 0.00 0.00 0.00 36.38 34.18 2wbp s VAL 146 CO -0.01 0.26 0.73 -1.48 0.00 0.00 0.00 175.10 174.61 2wbp s LEU 147 N 1.26 -0.57 0.08 3.92 0.05 -1.26 -1.01 118.68 121.14 2wbp s LEU 147 Ca -0.00 0.46 -0.30 0.00 0.05 0.00 0.00 54.13 54.33 2wbp s LEU 147 Cb -0.16 2.40 -0.06 0.00 -2.05 0.00 0.00 46.19 46.32 2wbp s LEU 147 CO -0.08 -0.64 1.13 -2.16 -0.55 0.00 0.00 176.35 174.05 2wbp s PRO 148 N -1.87 4.50 -0.21 1.48 0.04 -1.26 -4.17 135.00 133.51 2wbp s PRO 148 Ca -0.06 1.68 -0.05 0.00 0.04 0.00 0.00 61.00 62.61 2wbp s PRO 148 Cb -0.00 -3.36 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 2wbp s PRO 148 CO 0.02 -0.13 0.01 0.42 0.04 0.00 0.00 177.00 177.36 2wbp s ILE 149 N 0.73 4.03 0.20 0.56 1.01 -0.82 -4.85 121.20 122.06 2wbp s ILE 149 Ca 0.55 -0.29 -0.32 0.00 0.00 0.00 0.00 60.65 60.59 2wbp s ILE 149 Cb -0.28 -2.83 -0.12 0.00 0.01 0.00 0.00 42.46 39.24 2wbp s ILE 149 CO 0.30 0.42 1.70 1.17 0.00 0.00 0.00 174.94 178.52 2wbp n LYS 150 N 4.33 2.66 0.00 2.79 4.81 -1.26 -0.46 118.16 131.02 2wbp n LYS 150 Ca -0.17 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 2wbp n LYS 150 Cb 0.52 -2.79 0.00 0.00 0.02 0.00 0.00 35.03 32.78 2wbp n LYS 150 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wbp n GLY 151 N 3.85 2.90 1.62 3.14 0.00 -1.26 -4.90 105.19 110.53 2wbp n GLY 151 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 2wbp n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wbp n GLY 152 N -2.00 4.32 0.23 -0.02 0.00 0.39 -4.71 105.19 103.40 2wbp n GLY 152 Ca 0.00 -1.10 -0.05 0.00 0.00 0.00 0.00 46.02 44.87 2wbp n GLY 152 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2wbp h GLU 153 N 1.60 0.49 -0.58 1.61 3.07 -1.82 -3.19 114.58 115.76 2wbp h GLU 153 Ca 0.30 -0.22 -0.33 0.00 -0.50 0.00 0.00 59.36 58.61 2wbp h GLU 153 Cb 2.12 -0.01 -0.20 0.00 -0.84 0.00 0.00 28.75 29.82 2wbp h GLU 153 CO 0.64 0.76 0.09 0.72 -1.40 0.00 0.00 179.01 179.82 2wbp n HIS 154 N -4.07 1.85 -2.77 4.33 8.25 -1.26 -2.01 115.22 119.54 2wbp n HIS 154 Ca -0.01 -1.86 -0.21 0.00 -0.26 0.00 0.00 57.72 55.38 2wbp n HIS 154 Cb 0.46 -0.67 0.07 0.00 1.12 0.00 0.00 29.99 30.98 2wbp n HIS 154 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2wbp s THR 155 N -3.54 2.31 -0.87 1.59 -4.23 -1.21 -4.95 115.64 104.74 2wbp s THR 155 Ca 0.50 -0.77 0.17 0.00 -1.18 0.00 0.00 61.69 60.41 2wbp s THR 155 Cb 0.43 -2.54 0.77 0.00 1.34 0.00 0.00 72.50 72.50 2wbp s THR 155 CO 0.02 0.00 1.68 0.18 -0.54 0.00 0.00 174.62 175.97 2wbp n LEU 156 N -2.47 5.15 -4.79 4.79 4.77 -1.26 -4.73 117.00 118.45 2wbp n LEU 156 Ca 0.13 -2.60 -0.25 0.00 -0.03 0.00 0.00 56.01 53.26 2wbp n LEU 156 Cb 0.61 -0.62 -0.05 0.00 -2.33 0.00 0.00 43.42 41.02 2wbp n LEU 156 CO 0.42 0.76 -0.10 0.68 -1.33 0.00 0.00 177.39 177.82 2wbp s VAL 157 N -2.14 2.08 -1.41 4.08 -7.23 -1.26 -4.72 120.40 109.81 2wbp s VAL 157 Ca 0.53 -1.65 0.21 0.00 -1.81 0.00 0.00 61.98 59.27 2wbp s VAL 157 Cb 0.36 -2.73 0.36 0.00 0.56 0.00 0.00 36.38 34.94 2wbp s VAL 157 CO 0.22 0.00 1.68 -1.54 -0.31 0.00 0.00 175.10 175.16 2wbp n SER 158 N -1.39 0.00 -0.68 4.85 3.41 -1.26 -1.64 113.62 116.91 2wbp n SER 158 Ca -0.03 0.01 0.09 0.00 -0.26 0.00 0.00 58.87 58.69 2wbp n SER 158 Cb 0.64 -0.30 0.29 0.00 -0.26 0.00 0.00 64.21 64.58 2wbp n SER 158 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2wbp n SER 159 N -1.30 2.03 -4.31 4.04 3.41 -1.26 -4.33 113.62 111.91 2wbp n SER 159 Ca 0.10 -1.84 -0.29 0.00 -0.26 0.00 0.00 58.87 56.57 2wbp n SER 159 Cb 0.17 -0.18 0.23 0.00 -0.26 0.00 0.00 64.21 64.17 2wbp n SER 159 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2wbp s SER 160 N -1.35 1.25 0.02 4.04 1.04 -0.65 -1.94 113.70 116.11 2wbp s SER 160 Ca 0.31 1.12 0.00 0.00 0.48 0.00 0.00 55.95 57.86 2wbp s SER 160 Cb 0.17 -1.71 0.00 0.00 0.10 0.00 0.00 66.02 64.57 2wbp s SER 160 CO 0.24 -3.98 0.00 -1.54 0.98 0.00 0.00 173.24 168.94 2wbp n SER 161 N -4.73 -0.17 0.15 7.02 3.41 -0.85 -4.67 113.62 113.79 2wbp n SER 161 Ca 0.07 0.04 0.04 0.00 -0.26 0.00 0.00 58.87 58.76 2wbp n SER 161 Cb 0.57 0.48 0.44 0.00 -0.26 0.00 0.00 64.21 65.44 2wbp n SER 161 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2wbp h ARG 162 N 0.00 0.17 -5.57 4.33 3.08 -1.29 -0.06 114.38 115.04 2wbp h ARG 162 Ca 0.00 -0.03 -0.59 0.00 0.07 0.00 0.00 59.98 59.43 2wbp h ARG 162 Cb 0.00 -0.03 -0.10 0.00 0.08 0.00 0.00 29.97 29.93 2wbp h ARG 162 CO 0.00 0.29 -0.20 -1.14 -1.07 0.00 0.00 179.97 177.85 2wbp s GLN 163 N -4.78 4.26 0.32 0.04 0.74 -0.95 -4.51 119.66 114.79 2wbp s GLN 163 Ca -0.05 0.29 -0.28 0.00 0.05 0.00 0.00 55.36 55.36 2wbp s GLN 163 Cb 0.16 -3.47 -0.13 0.00 1.10 0.00 0.00 33.01 30.67 2wbp s GLN 163 CO 0.72 0.10 1.24 -1.91 -0.55 0.00 0.00 175.29 174.89 2wbp n GLU 164 N 3.96 1.94 -2.71 1.67 2.13 -1.26 -4.67 120.64 121.71 2wbp n GLU 164 Ca -0.08 0.68 -0.43 0.00 0.66 0.00 0.00 57.16 57.99 2wbp n GLU 164 Cb 0.51 -2.23 -0.03 0.00 0.27 0.00 0.00 31.44 29.97 2wbp n GLU 164 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2wbp s LEU 165 N -0.58 3.82 0.69 4.31 2.96 -0.03 -4.91 118.68 124.94 2wbp s LEU 165 Ca 0.58 0.29 -0.15 0.00 -0.22 0.00 0.00 54.13 54.62 2wbp s LEU 165 Cb -0.61 -3.37 0.02 0.00 0.50 0.00 0.00 46.19 42.73 2wbp s LEU 165 CO 0.60 -1.16 1.16 -0.83 -1.32 0.00 0.00 176.35 174.80 2wbp s GLY 166 N 2.37 2.27 0.56 7.98 0.00 -1.26 -1.69 107.32 117.56 2wbp s GLY 166 Ca 0.43 0.72 -0.19 0.00 0.00 0.00 0.00 44.72 45.68 2wbp s GLY 166 CO 0.29 1.10 1.17 0.66 0.00 0.00 0.00 173.10 176.33 2wbp s TRP 167 N -2.14 2.54 -0.23 1.90 1.48 -1.26 -4.55 118.94 116.68 2wbp s TRP 167 Ca 0.71 1.53 -0.31 0.00 -1.06 0.00 0.00 56.10 56.96 2wbp s TRP 167 Cb -0.25 -3.40 0.16 0.00 -1.16 0.00 0.00 33.47 28.82 2wbp s TRP 167 CO 0.43 -1.91 1.24 -3.38 -4.06 0.00 0.00 176.95 169.26 2wbp s HIS 168 N -1.66 -0.14 0.13 1.66 -3.43 -0.41 -1.71 115.29 109.73 2wbp s HIS 168 Ca 0.75 0.19 -0.31 0.00 -0.80 0.00 0.00 55.06 54.89 2wbp s HIS 168 Cb -0.28 0.49 -0.08 0.00 -1.43 0.00 0.00 32.58 31.29 2wbp s HIS 168 CO 0.31 -0.15 1.31 0.99 -2.00 0.00 0.00 174.74 175.19 2wbp s THR 169 N -1.47 3.48 0.18 -5.38 2.01 0.45 -2.04 115.64 112.87 2wbp s THR 169 Ca 0.07 1.11 -0.32 0.00 0.31 0.00 0.00 61.69 62.86 2wbp s THR 169 Cb -0.01 -3.71 -0.11 0.00 0.01 0.00 0.00 72.50 68.68 2wbp s THR 169 CO -0.05 0.11 1.72 -0.70 -0.69 0.00 0.00 174.62 175.02 2wbp s GLU 170 N 0.68 4.14 -1.50 4.92 2.56 -1.26 -2.40 118.70 125.84 2wbp s GLU 170 Ca 0.60 2.57 -0.09 0.00 0.00 0.00 0.00 54.97 58.05 2wbp s GLU 170 Cb -0.35 -3.19 0.07 0.00 2.00 0.00 0.00 34.13 32.66 2wbp s GLU 170 CO 0.32 -0.75 0.79 -0.25 -0.56 0.00 0.00 175.26 174.81 2wbp n ASP 171 N 4.34 -2.95 -0.25 -1.70 8.00 -1.26 -4.54 116.55 118.19 2wbp n ASP 171 Ca 0.16 -0.87 0.18 0.00 0.71 0.00 0.00 54.79 54.97 2wbp n ASP 171 Cb 0.36 -3.56 0.49 0.00 -0.02 0.00 0.00 41.12 38.39 2wbp n ASP 171 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wbp h ALA 172 N 0.91 2.15 0.00 2.24 0.00 -1.81 -0.39 119.26 122.37 2wbp h ALA 172 Ca -0.60 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 2wbp h ALA 172 Cb 1.37 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2wbp h ALA 172 CO 0.66 -0.44 -0.01 0.27 0.00 0.00 0.00 179.25 179.73 2wbp h PHE 173 N 0.44 0.00 -3.34 0.00 -5.15 -1.77 -3.44 116.94 103.67 2wbp h PHE 173 Ca 0.47 0.00 -0.67 0.00 -0.20 0.00 0.00 57.97 57.57 2wbp h PHE 173 Cb 1.13 0.00 -0.16 0.00 0.22 0.00 0.00 35.95 37.14 2wbp h PHE 173 CO -0.00 0.01 -0.63 0.45 -2.00 0.00 0.00 178.31 176.14 2wbp s SER 174 N -5.80 5.18 0.24 -0.68 0.15 -0.16 -4.92 113.70 107.71 2wbp s SER 174 Ca -0.05 0.11 0.20 0.00 0.70 0.00 0.00 55.95 56.91 2wbp s SER 174 Cb 0.14 -1.49 0.94 0.00 -1.71 0.00 0.00 66.02 63.90 2wbp s SER 174 CO 0.50 0.35 1.61 -0.81 1.20 0.00 0.00 173.24 176.10 2wbp n PRO 175 N 2.31 0.14 -0.41 5.44 -0.04 -1.26 -2.68 135.00 138.49 2wbp n PRO 175 Ca -0.18 0.49 0.10 0.00 -0.04 0.00 0.00 63.50 63.87 2wbp n PRO 175 Cb 0.53 -1.84 0.30 0.00 -0.04 0.00 0.00 33.50 32.46 2wbp n PRO 175 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2wbp n TYR 176 N -2.12 1.04 -1.11 0.54 4.01 -1.26 -5.00 117.16 113.26 2wbp n TYR 176 Ca 0.01 -0.55 -0.34 0.00 -0.16 0.00 0.00 57.90 56.86 2wbp n TYR 176 Cb 0.13 -0.09 0.11 0.00 -0.31 0.00 0.00 39.34 39.18 2wbp n TYR 176 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 2wbp n ARG 177 N 1.22 0.15 -1.74 -0.72 1.85 -1.09 -4.93 116.66 111.40 2wbp n ARG 177 Ca 0.23 0.11 -0.38 0.00 -1.00 0.00 0.00 57.85 56.81 2wbp n ARG 177 Cb 0.68 -2.16 0.06 0.00 -1.05 0.00 0.00 32.46 29.98 2wbp n ARG 177 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2wbp s ALA 178 N -2.10 2.60 0.08 2.89 0.00 -1.26 -4.95 121.76 119.02 2wbp s ALA 178 Ca 0.68 1.30 -0.13 0.00 0.00 0.00 0.00 51.96 53.81 2wbp s ALA 178 Cb -0.30 -3.57 -0.23 0.00 0.00 0.00 0.00 23.12 19.02 2wbp s ALA 178 CO 0.56 -1.51 1.18 -0.44 0.00 0.00 0.00 175.76 175.55 2wbp h ASP 179 N 1.00 0.88 -4.25 0.00 3.32 -1.30 -3.43 116.42 112.65 2wbp h ASP 179 Ca -0.51 -0.73 -0.38 0.00 0.02 0.00 0.00 57.03 55.43 2wbp h ASP 179 Cb 1.32 -0.27 -0.26 0.00 0.22 0.00 0.00 39.33 40.34 2wbp h ASP 179 CO 0.55 1.53 -0.77 -0.31 -1.72 0.00 0.00 179.24 178.52 2wbp s TYR 180 N -3.25 0.90 -0.21 4.55 2.02 -0.74 -0.84 117.35 119.78 2wbp s TYR 180 Ca -0.09 -0.28 -0.01 0.00 -0.37 0.00 0.00 57.07 56.32 2wbp s TYR 180 Cb 0.07 -0.55 0.01 0.00 -0.40 0.00 0.00 41.96 41.09 2wbp s TYR 180 CO 0.92 -0.01 -0.12 0.08 -1.57 0.00 0.00 175.55 174.86 2wbp s VAL 181 N -0.63 2.68 0.00 0.71 1.01 -0.49 -1.11 120.40 122.57 2wbp s VAL 181 Ca 0.00 -0.81 -0.15 0.00 0.00 0.00 0.00 61.98 61.03 2wbp s VAL 181 Cb -0.06 -2.22 -0.06 0.00 0.00 0.00 0.00 36.38 34.05 2wbp s VAL 181 CO 0.00 0.43 0.41 -0.83 0.00 0.00 0.00 175.10 175.11 2wbp s GLY 182 N 1.36 2.48 -0.06 4.51 0.00 0.42 -0.51 107.32 115.52 2wbp s GLY 182 Ca 0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 44.72 44.54 2wbp s GLY 182 CO -0.08 0.15 -0.02 1.08 0.00 0.00 0.00 173.10 174.22 2wbp s LEU 183 N -1.10 0.96 -0.16 0.66 1.43 0.23 -1.19 118.68 119.51 2wbp s LEU 183 Ca 0.24 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 2wbp s LEU 183 Cb -0.17 -0.47 0.00 0.00 0.03 0.00 0.00 46.19 45.58 2wbp s LEU 183 CO 0.14 -0.13 -0.15 -0.22 0.23 0.00 0.00 176.35 176.22 2wbp s LEU 184 N 1.49 2.46 -0.48 1.79 2.96 0.12 -0.93 118.68 126.09 2wbp s LEU 184 Ca -0.02 -0.49 -0.25 0.00 -0.22 0.00 0.00 54.13 53.15 2wbp s LEU 184 Cb -0.13 -1.56 0.03 0.00 0.50 0.00 0.00 46.19 45.02 2wbp s LEU 184 CO -0.03 0.06 0.91 -0.55 -1.32 0.00 0.00 176.35 175.42 2wbp s SER 185 N 0.94 6.46 0.06 3.68 0.15 -0.10 -0.99 113.70 123.90 2wbp s SER 185 Ca -0.03 0.01 -0.15 0.00 0.70 0.00 0.00 55.95 56.48 2wbp s SER 185 Cb -0.15 -2.44 -0.26 0.00 -1.71 0.00 0.00 66.02 61.46 2wbp s SER 185 CO -0.02 -1.07 1.14 -0.07 1.20 0.00 0.00 173.24 174.42 2wbp h LEU 186 N 10.59 0.89 -7.10 3.45 3.38 -1.25 0.18 115.31 125.46 2wbp h LEU 186 Ca -0.24 -0.78 -0.07 0.00 0.09 0.00 0.00 57.88 56.87 2wbp h LEU 186 Cb 1.08 -0.28 -0.20 0.00 0.09 0.00 0.00 40.66 41.35 2wbp h LEU 186 CO 1.03 1.57 0.08 0.00 0.09 0.00 0.00 178.44 181.22 2wbp s ARG 187 N -3.14 0.93 -0.49 1.13 1.70 -1.05 -4.61 118.95 113.43 2wbp s ARG 187 Ca -0.10 0.33 0.06 0.00 -0.47 0.00 0.00 55.73 55.55 2wbp s ARG 187 Cb 0.06 0.44 0.24 0.00 -0.57 0.00 0.00 34.95 35.12 2wbp s ARG 187 CO 0.93 -0.25 0.87 -1.71 -1.08 0.00 0.00 175.30 174.06 2wbp n ASN 188 N 1.37 -2.76 0.23 -2.89 5.15 -1.26 -1.43 115.26 113.67 2wbp n ASN 188 Ca -0.18 -3.28 0.09 0.00 -0.60 0.00 0.00 54.58 50.60 2wbp n ASN 188 Cb 0.57 1.72 0.55 0.00 -0.53 0.00 0.00 39.78 42.09 2wbp n ASN 188 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2wbp h PRO 189 N 3.99 0.00 -0.52 1.20 0.13 -1.92 -1.68 132.00 133.20 2wbp h PRO 189 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2wbp h PRO 189 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2wbp h PRO 189 CO 0.33 0.22 0.00 -0.25 -0.23 0.00 0.00 178.00 178.08 2wbp n ASP 190 N -3.66 3.51 -2.27 1.44 8.00 -1.26 -4.99 116.55 117.32 2wbp n ASP 190 Ca -0.01 -1.97 -0.14 0.00 0.71 0.00 0.00 54.79 53.38 2wbp n ASP 190 Cb 0.35 -0.34 0.04 0.00 -0.02 0.00 0.00 41.12 41.15 2wbp n ASP 190 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wbp n GLY 191 N 1.34 0.06 3.73 0.44 0.00 -0.63 -4.96 105.19 105.17 2wbp n GLY 191 Ca 0.20 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2wbp n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wbp s VAL 192 N -3.16 3.20 0.05 1.61 1.01 -1.26 -4.94 120.40 116.90 2wbp s VAL 192 Ca 0.33 0.92 -0.22 0.00 0.00 0.00 0.00 61.98 63.01 2wbp s VAL 192 Cb -0.14 -3.59 -0.06 0.00 0.00 0.00 0.00 36.38 32.59 2wbp s VAL 192 CO 0.40 0.11 0.67 0.00 0.00 0.00 0.00 175.10 176.28 2wbp s ALA 193 N 0.57 3.46 0.41 5.51 0.00 -1.26 -4.45 121.76 126.00 2wbp s ALA 193 Ca 0.61 0.15 -0.24 0.00 0.00 0.00 0.00 51.96 52.49 2wbp s ALA 193 Cb -0.37 -2.83 -0.09 0.00 0.00 0.00 0.00 23.12 19.82 2wbp s ALA 193 CO 0.35 0.19 1.05 0.99 0.00 0.00 0.00 175.76 178.34 2wbp s THR 194 N -0.42 3.72 0.10 0.00 2.01 -0.03 -1.28 115.64 119.74 2wbp s THR 194 Ca 0.34 1.29 0.06 0.00 0.31 0.00 0.00 61.69 63.68 2wbp s THR 194 Cb -0.20 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 2wbp s THR 194 CO 0.20 -0.01 -0.02 0.42 -0.69 0.00 0.00 174.62 174.52 2wbp s THR 195 N -1.68 3.85 0.01 -0.82 -4.23 -0.12 -0.78 115.64 111.86 2wbp s THR 195 Ca 0.59 -1.09 -0.06 0.00 -1.18 0.00 0.00 61.69 59.95 2wbp s THR 195 Cb -0.22 -2.84 -0.00 0.00 1.34 0.00 0.00 72.50 70.78 2wbp s THR 195 CO 0.27 0.10 0.10 -0.76 -0.54 0.00 0.00 174.62 173.79 2wbp s LEU 196 N -2.35 1.71 -0.12 4.79 1.43 -0.24 -1.04 118.68 122.86 2wbp s LEU 196 Ca 0.25 -0.30 -0.20 0.00 -1.03 0.00 0.00 54.13 52.85 2wbp s LEU 196 Cb -0.11 0.56 0.05 0.00 0.03 0.00 0.00 46.19 46.71 2wbp s LEU 196 CO 0.17 -0.37 0.50 0.00 0.23 0.00 0.00 176.35 176.89 2wbp s ALA 197 N -1.51 -1.27 0.48 4.21 0.00 -0.83 -0.89 121.76 121.96 2wbp s ALA 197 Ca -0.14 1.16 0.03 0.00 0.00 0.00 0.00 51.96 53.00 2wbp s ALA 197 Cb -0.08 -0.44 0.07 0.00 0.00 0.00 0.00 23.12 22.68 2wbp s ALA 197 CO 0.01 -0.28 0.55 0.41 0.00 0.00 0.00 175.76 176.45 2wbp n GLY 198 N 2.01 1.27 3.72 0.00 0.00 -1.26 -0.92 105.19 110.01 2wbp n GLY 198 Ca -0.17 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.35 2wbp n GLY 198 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wbp s VAL 199 N -1.50 2.75 -1.44 1.61 1.01 -1.24 -4.89 120.40 116.70 2wbp s VAL 199 Ca 0.39 0.55 -0.10 0.00 0.00 0.00 0.00 61.98 62.81 2wbp s VAL 199 Cb -0.03 -3.35 0.05 0.00 0.00 0.00 0.00 36.38 33.05 2wbp s VAL 199 CO 0.25 0.05 2.39 -0.81 0.00 0.00 0.00 175.10 176.98 2wbp n PRO 200 N 3.75 3.60 0.24 2.72 -0.04 -1.26 -4.70 135.00 139.31 2wbp n PRO 200 Ca 0.12 -2.86 0.09 0.00 -0.04 0.00 0.00 63.50 60.82 2wbp n PRO 200 Cb 0.39 -2.94 0.60 0.00 -0.04 0.00 0.00 33.50 31.51 2wbp n PRO 200 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2wbp h LEU 201 N 7.82 0.00 -0.05 1.53 3.38 -1.93 -1.97 115.31 124.08 2wbp h LEU 201 Ca 0.64 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.61 2wbp h LEU 201 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2wbp h LEU 201 CO 1.72 0.18 0.00 0.47 0.09 0.00 0.00 178.44 180.91 2wbp n ASP 202 N -3.85 0.08 0.00 -0.43 8.00 -1.26 -3.82 116.55 115.27 2wbp n ASP 202 Ca -0.02 0.52 0.00 0.00 0.71 0.00 0.00 54.79 56.00 2wbp n ASP 202 Cb 0.28 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 2wbp n ASP 202 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2wbp n ASP 203 N -1.58 3.33 -4.65 -2.24 8.00 -0.79 -5.02 116.55 113.60 2wbp n ASP 203 Ca 0.04 -0.12 -0.43 0.00 0.71 0.00 0.00 54.79 55.00 2wbp n ASP 203 Cb 0.23 0.90 -0.02 0.00 -0.02 0.00 0.00 41.12 42.21 2wbp n ASP 203 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2wbp s LEU 204 N -2.47 4.04 0.79 0.64 1.43 -0.91 -5.02 118.68 117.17 2wbp s LEU 204 Ca 0.00 1.34 -0.11 0.00 -1.03 0.00 0.00 54.13 54.34 2wbp s LEU 204 Cb 0.00 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.75 2wbp s LEU 204 CO 0.00 -0.82 1.09 1.51 0.23 0.00 0.00 176.35 178.36 2wbp s ASP 205 N 1.79 4.37 0.23 2.29 -4.77 -1.26 -4.81 116.67 114.51 2wbp s ASP 205 Ca 0.49 1.77 -0.06 0.00 -3.30 0.00 0.00 52.55 51.45 2wbp s ASP 205 Cb -0.16 -2.47 0.22 0.00 -1.09 0.00 0.00 42.92 39.41 2wbp s ASP 205 CO 0.14 -2.11 1.81 -0.08 0.70 0.00 0.00 175.17 175.62 2wbp h GLU 206 N -1.18 1.16 -0.22 2.11 4.81 -1.98 -0.59 114.58 118.67 2wbp h GLU 206 Ca -0.44 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 58.58 2wbp h GLU 206 Cb 1.24 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 2wbp h GLU 206 CO 0.52 0.92 0.07 -0.09 -0.73 0.00 0.00 179.01 179.70 2wbp h ARG 207 N 1.13 0.35 -0.47 1.92 2.43 -1.99 -0.10 114.38 117.64 2wbp h ARG 207 Ca 0.26 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.38 2wbp h ARG 207 Cb 0.18 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 2wbp h ARG 207 CO -0.03 0.43 0.28 1.15 -1.51 0.00 0.00 179.97 180.30 2wbp h THR 208 N 0.19 1.04 -0.42 0.20 2.02 -1.82 -2.02 112.91 112.10 2wbp h THR 208 Ca 0.07 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 67.08 2wbp h THR 208 Cb 0.23 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 2wbp h THR 208 CO -0.00 0.10 0.26 0.25 0.37 0.00 0.00 175.52 176.50 2wbp h LEU 209 N 0.56 0.43 -0.65 2.58 5.85 -0.97 -1.55 115.31 121.56 2wbp h LEU 209 Ca 0.19 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.99 2wbp h LEU 209 Cb 0.02 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 40.90 2wbp h LEU 209 CO -0.09 0.31 0.32 0.44 -0.34 0.00 0.00 178.44 179.07 2wbp h ASP 210 N 0.52 0.42 -0.54 1.25 3.32 -0.66 -2.20 116.42 118.53 2wbp h ASP 210 Ca 0.16 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.18 2wbp h ASP 210 Cb -0.01 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2wbp h ASP 210 CO -0.07 0.26 -0.02 0.58 -1.72 0.00 0.00 179.24 178.27 2wbp h VAL 211 N 0.57 1.27 0.00 -1.35 2.07 -0.88 -2.73 116.25 115.20 2wbp h VAL 211 Ca 0.31 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 2wbp h VAL 211 Cb 0.30 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2wbp h VAL 211 CO -0.24 0.40 -0.06 -0.07 0.02 0.00 0.00 177.57 177.62 2wbp h LEU 212 N 0.84 0.00 -0.02 2.57 3.38 -0.81 -1.38 115.31 119.89 2wbp h LEU 212 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2wbp h LEU 212 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2wbp h LEU 212 CO 0.03 0.06 -0.06 0.49 0.09 0.00 0.00 178.44 179.06 2wbp n PHE 213 N -3.40 0.00 -3.40 1.13 3.72 -0.87 -1.36 117.46 113.28 2wbp n PHE 213 Ca -0.02 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.12 2wbp n PHE 213 Cb 0.21 -0.39 -0.02 0.00 -0.94 0.00 0.00 39.48 38.34 2wbp n PHE 213 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2wbp s GLN 214 N -2.83 3.55 -1.32 -1.08 -0.21 -0.52 -4.82 119.66 112.43 2wbp s GLN 214 Ca 0.19 -0.19 -0.13 0.00 0.02 0.00 0.00 55.36 55.25 2wbp s GLN 214 Cb 0.19 -2.68 0.11 0.00 1.00 0.00 0.00 33.01 31.63 2wbp s GLN 214 CO 0.52 0.21 1.86 0.39 -2.12 0.00 0.00 175.29 176.16 2wbp n GLU 215 N -1.26 3.25 -0.58 2.91 1.02 -1.26 -3.83 120.64 120.90 2wbp n GLU 215 Ca -0.03 -3.26 0.04 0.00 -0.02 0.00 0.00 57.16 53.88 2wbp n GLU 215 Cb 0.55 -3.18 0.06 0.00 -0.02 0.00 0.00 31.44 28.84 2wbp n GLU 215 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2wbp n ARG 216 N 5.86 0.45 -4.15 3.49 1.74 -1.06 -4.45 116.66 118.55 2wbp n ARG 216 Ca 0.45 -1.76 -0.13 0.00 -0.77 0.00 0.00 57.85 55.63 2wbp n ARG 216 Cb 0.40 -0.75 -0.11 0.00 -1.02 0.00 0.00 32.46 30.98 2wbp n ARG 216 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2wbp s PHE 217 N -0.98 0.93 0.07 -1.55 0.08 -0.66 -0.78 117.98 115.09 2wbp s PHE 217 Ca 0.17 -0.67 0.09 0.00 0.12 0.00 0.00 56.93 56.65 2wbp s PHE 217 Cb 0.17 -0.53 -0.03 0.00 -0.57 0.00 0.00 43.02 42.06 2wbp s PHE 217 CO -0.03 -0.05 -0.25 -0.51 -0.10 0.00 0.00 175.22 174.28 2wbp s LEU 218 N -2.35 2.28 -0.26 -0.37 1.43 0.46 -0.59 118.68 119.29 2wbp s LEU 218 Ca 0.03 -0.60 -0.03 0.00 -1.03 0.00 0.00 54.13 52.49 2wbp s LEU 218 Cb -0.03 -1.31 0.15 0.00 0.03 0.00 0.00 46.19 45.02 2wbp s LEU 218 CO -0.01 0.24 0.48 -0.51 0.23 0.00 0.00 176.35 176.78 2wbp s ILE 219 N -0.89 -0.78 0.26 -0.59 1.10 -1.26 -1.39 121.20 117.64 2wbp s ILE 219 Ca 0.13 -0.00 0.07 0.00 -0.51 0.00 0.00 60.65 60.33 2wbp s ILE 219 Cb -0.10 -0.87 -0.03 0.00 0.15 0.00 0.00 42.46 41.60 2wbp s ILE 219 CO 0.04 -0.04 0.25 0.00 -2.11 0.00 0.00 174.94 173.07 2wbp s ARG 220 N 2.70 3.04 0.36 3.50 1.70 -1.11 -4.43 118.95 124.71 2wbp s ARG 220 Ca 0.12 -1.00 -0.28 0.00 -0.47 0.00 0.00 55.73 54.10 2wbp s ARG 220 Cb -0.14 -2.64 -0.10 0.00 -0.57 0.00 0.00 34.95 31.49 2wbp s ARG 220 CO -0.17 0.38 1.38 -1.25 -1.08 0.00 0.00 175.30 174.56 2wbp s PRO 221 N -3.89 4.20 0.97 3.89 0.04 -1.26 -4.39 135.00 134.56 2wbp s PRO 221 Ca 0.34 2.36 -0.14 0.00 0.04 0.00 0.00 61.00 63.60 2wbp s PRO 221 Cb -0.08 -2.99 0.18 0.00 0.04 0.00 0.00 34.50 31.65 2wbp s PRO 221 CO 0.26 -0.38 1.18 0.16 0.04 0.00 0.00 177.00 178.26 2wbp s ASP 222 N -0.37 3.01 0.19 6.66 1.47 -1.26 -4.93 116.67 121.43 2wbp s ASP 222 Ca 0.52 0.74 0.22 0.00 1.18 0.00 0.00 52.55 55.21 2wbp s ASP 222 Cb -0.42 -1.13 0.90 0.00 -0.34 0.00 0.00 42.92 41.92 2wbp s ASP 222 CO 0.57 -2.84 1.68 0.47 0.68 0.00 0.00 175.17 175.72 2wbp n ASP 223 N -3.92 0.52 0.21 2.11 8.00 -1.26 -2.26 116.55 119.95 2wbp n ASP 223 Ca 0.10 0.62 0.15 0.00 0.71 0.00 0.00 54.79 56.36 2wbp n ASP 223 Cb 0.59 -0.73 0.67 0.00 -0.02 0.00 0.00 41.12 41.64 2wbp n ASP 223 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2wbp h SER 224 N 0.00 0.00 -0.50 -2.24 4.64 -1.92 -2.47 113.55 111.06 2wbp h SER 224 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wbp h SER 224 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2wbp h SER 224 CO 0.00 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.37 2wbp n HIS 225 N -2.61 0.67 -2.92 4.77 8.25 -0.96 -4.48 115.22 117.94 2wbp n HIS 225 Ca 0.00 -0.33 -0.34 0.00 -0.26 0.00 0.00 57.72 56.79 2wbp n HIS 225 Cb 0.19 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.24 2wbp n HIS 225 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2wbp s LEU 226 N -1.20 4.08 0.41 2.41 1.43 -0.93 -4.93 118.68 119.96 2wbp s LEU 226 Ca 0.39 1.59 0.14 0.00 -1.03 0.00 0.00 54.13 55.23 2wbp s LEU 226 Cb 0.21 -4.25 1.00 0.00 0.03 0.00 0.00 46.19 43.19 2wbp s LEU 226 CO 0.29 -0.23 1.91 1.56 0.23 0.00 0.00 176.35 180.11 2wbp h GLN 227 N 2.36 0.46 0.00 1.70 4.20 -1.90 -1.71 115.11 120.22 2wbp h GLN 227 Ca -0.48 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.20 2wbp h GLN 227 Cb 1.18 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.86 2wbp h GLN 227 CO 0.63 0.30 0.00 -0.24 -0.67 0.00 0.00 178.83 178.85 2wbp h VAL 228 N 0.47 0.00 -0.30 -0.54 3.04 -1.92 -1.91 116.25 115.10 2wbp h VAL 228 Ca 0.38 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.84 2wbp h VAL 228 Cb 0.80 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 31.11 2wbp h VAL 228 CO -0.13 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.02 2wbp n ASN 229 N -2.62 4.10 -4.53 3.17 3.02 -0.64 -4.95 115.26 112.81 2wbp n ASN 229 Ca 0.00 -3.01 -0.28 0.00 -0.03 0.00 0.00 54.58 51.26 2wbp n ASN 229 Cb 0.19 -0.56 -0.09 0.00 -0.61 0.00 0.00 39.78 38.71 2wbp n ASN 229 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2wbp s ASN 230 N -1.81 3.47 1.02 6.41 0.01 -0.72 -4.42 114.94 118.90 2wbp s ASN 230 Ca 0.44 -1.55 -0.15 0.00 -0.71 0.00 0.00 52.86 50.89 2wbp s ASN 230 Cb 0.35 0.20 0.20 0.00 0.41 0.00 0.00 41.25 42.42 2wbp s ASN 230 CO 0.10 -0.74 1.17 -0.44 -1.51 0.00 0.00 177.10 175.68 2wbp s SER 231 N -3.71 2.53 -0.85 -1.22 0.01 -1.26 -5.00 113.70 104.20 2wbp s SER 231 Ca 0.22 0.71 -0.23 0.00 1.31 0.00 0.00 55.95 57.96 2wbp s SER 231 Cb 0.05 -1.06 -0.21 0.00 0.21 0.00 0.00 66.02 65.01 2wbp s SER 231 CO 0.11 -3.13 1.89 0.41 0.41 0.00 0.00 173.24 172.93 2wbp n THR 232 N -4.11 0.00 0.00 1.44 -1.04 -1.26 -5.05 114.28 104.26 2wbp n THR 232 Ca 0.11 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2wbp n THR 232 Cb 0.59 -1.65 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 2wbp n THR 232 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2wbp n ARG 237 N 7.49 0.00 0.24 -2.82 3.00 -1.26 -5.22 116.66 118.09 2wbp n ARG 237 Ca 0.34 0.00 0.11 0.00 -0.01 0.00 0.00 57.85 58.30 2wbp n ARG 237 Cb 0.47 0.00 0.55 0.00 0.00 0.00 0.00 32.46 33.48 2wbp n ARG 237 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.63 177.39 2wbp h VAL 238 N 0.00 0.49 0.00 1.55 3.04 -2.00 -2.60 116.25 116.72 2wbp h VAL 238 Ca 0.00 -0.92 -0.00 0.00 -1.01 0.00 0.00 66.70 64.76 2wbp h VAL 238 Cb 0.00 1.64 -0.00 0.00 -2.01 0.00 0.00 31.29 30.92 2wbp h VAL 238 CO 0.00 0.17 -0.02 -0.33 -1.01 0.00 0.00 177.57 176.38 2wbp h GLU 239 N 0.00 0.00 0.00 4.17 3.07 -1.97 -1.25 114.58 118.60 2wbp h GLU 239 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2wbp h GLU 239 Cb 0.63 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 2wbp h GLU 239 CO 0.02 0.02 0.00 0.74 -1.40 0.00 0.00 179.01 178.40 2wbp h PHE 240 N 0.00 0.00 -0.62 4.33 -1.00 -1.84 -2.67 116.94 115.14 2wbp h PHE 240 Ca -0.00 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.70 2wbp h PHE 240 Cb 0.49 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.03 2wbp h PHE 240 CO 0.00 0.00 0.07 0.93 -1.61 0.00 0.00 178.31 177.70 2wbp h GLU 241 N 0.00 1.03 -0.35 1.51 4.39 -1.42 -1.63 114.58 118.12 2wbp h GLU 241 Ca 0.00 -0.28 -0.12 0.00 0.34 0.00 0.00 59.36 59.30 2wbp h GLU 241 Cb 0.38 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2wbp h GLU 241 CO 0.00 0.97 -0.27 0.78 -1.16 0.00 0.00 179.01 179.32 2wbp h GLY 242 N 1.03 0.77 0.94 -3.84 0.00 -1.63 -1.29 103.07 99.05 2wbp h GLY 242 Ca 0.19 -0.69 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 2wbp h GLY 242 CO 0.02 0.63 0.14 -2.22 0.00 0.00 0.00 176.54 175.10 2wbp h ILE 243 N 0.61 1.21 -0.61 2.60 1.08 -1.48 -0.99 117.51 119.93 2wbp h ILE 243 Ca 0.08 -0.66 0.05 0.00 -0.39 0.00 0.00 64.86 63.94 2wbp h ILE 243 Cb 0.78 0.90 -0.05 0.00 -3.07 0.00 0.00 36.82 35.38 2wbp h ILE 243 CO 0.06 0.23 0.34 0.00 -0.69 0.00 0.00 178.15 178.09 2wbp h ALA 244 N 0.98 0.80 -0.84 1.87 0.00 -1.06 -0.41 119.26 120.60 2wbp h ALA 244 Ca 0.13 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2wbp h ALA 244 Cb 0.23 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2wbp h ALA 244 CO -0.01 0.02 0.43 1.96 0.00 0.00 0.00 179.25 181.65 2wbp h GLN 245 N 0.64 1.20 0.00 0.00 4.20 -0.98 -0.29 115.11 119.88 2wbp h GLN 245 Ca 0.26 -0.16 -0.12 0.00 0.06 0.00 0.00 58.65 58.70 2wbp h GLN 245 Cb 0.14 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 2wbp h GLN 245 CO -0.16 0.90 -0.56 0.00 -0.67 0.00 0.00 178.83 178.34 2wbp h ALA 246 N 1.28 1.04 0.09 3.87 0.00 -0.54 -0.58 119.26 124.42 2wbp h ALA 246 Ca 0.29 -0.51 -0.19 0.00 0.00 0.00 0.00 54.91 54.50 2wbp h ALA 246 Cb 0.08 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.80 2wbp h ALA 246 CO -0.04 0.70 -0.81 0.00 0.00 0.00 0.00 179.25 179.10 2wbp h ALA 247 N 1.44 -0.03 0.16 0.00 0.00 -0.81 -3.21 119.26 116.81 2wbp h ALA 247 Ca -0.01 -0.67 -0.30 0.00 0.00 0.00 0.00 54.91 53.94 2wbp h ALA 247 Cb 1.01 0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.91 2wbp h ALA 247 CO 0.07 0.41 -1.30 -0.44 0.00 0.00 0.00 179.25 177.99 2wbp h ASP 248 N -0.19 0.71 -2.07 0.00 3.32 -1.02 -3.40 116.42 113.78 2wbp h ASP 248 Ca -0.13 -0.71 -0.54 0.00 0.02 0.00 0.00 57.03 55.67 2wbp h ASP 248 Cb 1.58 -0.23 -0.40 0.00 0.22 0.00 0.00 39.33 40.50 2wbp h ASP 248 CO 0.16 1.54 -1.00 0.54 -1.72 0.00 0.00 179.24 178.75 2wbp n ARG 249 N -3.69 1.39 -2.07 3.56 1.74 -0.23 -5.09 116.66 112.27 2wbp n ARG 249 Ca -0.13 -3.70 -0.41 0.00 -0.77 0.00 0.00 57.85 52.85 2wbp n ARG 249 Cb 1.03 -1.66 -0.02 0.00 -1.02 0.00 0.00 32.46 30.79 2wbp n ARG 249 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2wbp s PRO 250 N -2.05 4.30 0.08 5.56 0.04 -1.21 -4.68 135.00 137.03 2wbp s PRO 250 Ca 0.39 2.26 -0.15 0.00 0.04 0.00 0.00 61.00 63.54 2wbp s PRO 250 Cb 0.24 -3.03 -0.06 0.00 0.04 0.00 0.00 34.50 31.68 2wbp s PRO 250 CO -0.09 -0.25 0.49 -1.83 0.04 0.00 0.00 177.00 175.36 2wbp s GLU 251 N -1.87 3.97 0.27 4.56 -1.05 -1.26 -5.00 118.70 118.31 2wbp s GLU 251 Ca 0.50 0.46 -0.30 0.00 -0.15 0.00 0.00 54.97 55.49 2wbp s GLU 251 Cb -0.40 -3.08 -0.10 0.00 -0.44 0.00 0.00 34.13 30.11 2wbp s GLU 251 CO 0.54 0.58 1.37 -2.14 0.95 0.00 0.00 175.26 176.57 2wbp s PRO 252 N -1.55 4.32 0.16 -4.83 0.02 -1.26 -4.74 135.00 127.12 2wbp s PRO 252 Ca 0.31 2.23 0.02 0.00 0.02 0.00 0.00 61.00 63.58 2wbp s PRO 252 Cb -0.16 -3.11 -0.05 0.00 0.02 0.00 0.00 34.50 31.20 2wbp s PRO 252 CO 0.17 -0.32 -0.00 0.14 -0.33 0.00 0.00 177.00 176.66 2wbp s VAL 253 N -0.35 0.66 0.55 3.83 -7.23 0.25 -4.77 120.40 113.34 2wbp s VAL 253 Ca 0.55 -1.97 -0.12 0.00 -1.81 0.00 0.00 61.98 58.63 2wbp s VAL 253 Cb -0.40 -2.06 -0.05 0.00 0.56 0.00 0.00 36.38 34.42 2wbp s VAL 253 CO 0.46 -0.52 0.97 0.00 -0.31 0.00 0.00 175.10 175.69 2wbp s ALA 254 N -3.67 3.15 -0.12 1.32 0.00 -1.25 -1.65 121.76 119.55 2wbp s ALA 254 Ca 0.22 -0.07 -0.04 0.00 0.00 0.00 0.00 51.96 52.08 2wbp s ALA 254 Cb 0.06 -3.00 -0.25 0.00 0.00 0.00 0.00 23.12 19.92 2wbp s ALA 254 CO 0.03 -0.46 0.38 -0.89 0.00 0.00 0.00 175.76 174.82 2wbp n ILE 255 N -2.23 1.75 -4.51 0.00 5.41 -0.67 -4.79 119.36 114.32 2wbp n ILE 255 Ca 0.05 -0.67 -0.33 0.00 1.00 0.00 0.00 62.75 62.80 2wbp n ILE 255 Cb 0.54 -1.62 -0.11 0.00 -0.71 0.00 0.00 39.64 37.75 2wbp n ILE 255 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2wbp s LEU 256 N -6.88 3.16 0.14 1.39 1.43 -0.47 -0.88 118.68 116.58 2wbp s LEU 256 Ca -0.20 -0.12 -0.00 0.00 -1.03 0.00 0.00 54.13 52.78 2wbp s LEU 256 Cb 0.07 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 2wbp s LEU 256 CO 0.77 0.30 0.04 0.42 0.23 0.00 0.00 176.35 178.12 2wbp s THR 257 N -0.94 0.25 0.00 5.49 -4.23 -0.62 -4.27 115.64 111.32 2wbp s THR 257 Ca 0.16 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 2wbp s THR 257 Cb -0.11 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.65 2wbp s THR 257 CO 0.06 -0.45 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 2wbp n GLY 258 N -0.14 0.44 3.70 3.99 0.00 -1.26 -0.78 105.19 111.14 2wbp n GLY 258 Ca -0.05 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 2wbp n GLY 258 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wbp s HIS 259 N 0.00 3.62 0.45 1.61 5.65 -1.26 -4.93 115.29 120.44 2wbp s HIS 259 Ca 0.00 1.67 0.19 0.00 0.25 0.00 0.00 55.06 57.17 2wbp s HIS 259 Cb 0.00 -3.13 1.21 0.00 -1.18 0.00 0.00 32.58 29.48 2wbp s HIS 259 CO 0.00 -0.06 2.04 0.00 -0.65 0.00 0.00 174.74 176.07 2wbp h ARG 260 N 6.87 0.00 -0.00 2.88 2.47 -1.99 -0.82 114.38 123.78 2wbp h ARG 260 Ca -0.39 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.33 2wbp h ARG 260 Cb 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.52 2wbp h ARG 260 CO 0.78 0.14 -0.11 0.00 0.56 0.00 0.00 179.97 181.34 2wbp n ALA 261 N -2.43 2.77 -2.73 0.04 0.00 -1.26 -4.42 120.51 112.47 2wbp n ALA 261 Ca -0.02 -0.27 -0.08 0.00 0.00 0.00 0.00 53.44 53.06 2wbp n ALA 261 Cb 0.22 -1.33 0.08 0.00 0.00 0.00 0.00 19.45 18.42 2wbp n ALA 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wbp n ALA 262 N -0.94 -1.17 -1.58 0.00 0.00 -0.44 -5.12 120.51 111.25 2wbp n ALA 262 Ca 0.14 -1.37 -0.33 0.00 0.00 0.00 0.00 53.44 51.88 2wbp n ALA 262 Cb 0.28 -1.35 0.03 0.00 0.00 0.00 0.00 19.45 18.42 2wbp n ALA 262 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2wbp s PRO 263 N 0.42 3.01 0.32 0.00 0.02 -0.46 -4.23 135.00 134.08 2wbp s PRO 263 Ca 0.26 1.32 -0.09 0.00 0.02 0.00 0.00 61.00 62.50 2wbp s PRO 263 Cb 0.27 -1.98 -0.06 0.00 0.02 0.00 0.00 34.50 32.74 2wbp s PRO 263 CO -0.13 -1.07 0.65 -1.01 -0.33 0.00 0.00 177.00 175.10 2wbp s HIS 264 N -2.38 3.45 -0.05 6.54 3.76 0.03 -4.82 115.29 121.82 2wbp s HIS 264 Ca 0.66 0.89 0.04 0.00 -0.15 0.00 0.00 55.06 56.50 2wbp s HIS 264 Cb -0.19 -2.30 -0.00 0.00 1.11 0.00 0.00 32.58 31.20 2wbp s HIS 264 CO 0.40 0.09 -0.18 -1.17 -0.85 0.00 0.00 174.74 173.02 2wbp s LEU 265 N -3.44 1.93 -0.26 0.89 2.96 0.63 -1.58 118.68 119.81 2wbp s LEU 265 Ca 0.48 -0.39 -0.04 0.00 -0.22 0.00 0.00 54.13 53.97 2wbp s LEU 265 Cb -0.11 -1.05 0.09 0.00 0.50 0.00 0.00 46.19 45.63 2wbp s LEU 265 CO 0.27 0.16 0.14 -0.60 -1.32 0.00 0.00 176.35 175.00 2wbp s ARG 266 N 0.08 0.17 0.05 1.98 3.52 -0.06 -4.66 118.95 120.03 2wbp s ARG 266 Ca -0.06 -0.38 -0.27 0.00 -0.13 0.00 0.00 55.73 54.89 2wbp s ARG 266 Cb -0.13 -1.26 0.08 0.00 -1.56 0.00 0.00 34.95 32.08 2wbp s ARG 266 CO 0.03 -0.94 0.68 0.54 -0.81 0.00 0.00 175.30 174.80 2wbp s VAL 267 N 2.14 0.00 -0.07 7.11 0.11 -1.26 -4.46 120.40 123.97 2wbp s VAL 267 Ca 0.08 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.11 2wbp s VAL 267 Cb -0.16 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.72 2wbp s VAL 267 CO -0.30 0.00 0.00 -0.62 -3.33 0.00 0.00 175.10 170.85 2wbp s ASP 268 N -2.01 1.53 0.43 3.54 2.15 -1.26 -0.41 116.67 120.64 2wbp s ASP 268 Ca -0.04 -0.08 0.30 0.00 0.43 0.00 0.00 52.55 53.16 2wbp s ASP 268 Cb -0.01 -0.43 1.49 0.00 -0.30 0.00 0.00 42.92 43.67 2wbp s ASP 268 CO -0.03 -0.19 1.90 1.23 -0.17 0.00 0.00 175.17 177.92 2wbp h GLY 269 N 8.26 0.00 0.00 2.66 0.00 -1.67 -2.06 103.07 110.25 2wbp h GLY 269 Ca -0.21 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 2wbp h GLY 269 CO 0.27 0.00 -1.06 1.22 0.00 0.00 0.00 176.54 176.97 2wbp n ASP 270 N -2.59 4.72 -0.10 0.19 8.00 -1.26 -4.72 116.55 120.79 2wbp n ASP 270 Ca -0.01 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.54 2wbp n ASP 270 Cb 0.13 0.98 0.07 0.00 -0.02 0.00 0.00 41.12 42.28 2wbp n ASP 270 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2wbp n PHE 271 N -1.61 0.07 -4.12 1.24 3.72 -1.09 -5.04 117.46 110.62 2wbp n PHE 271 Ca -0.00 -0.70 -0.28 0.00 -0.05 0.00 0.00 57.45 56.41 2wbp n PHE 271 Cb 0.10 -0.10 -0.07 0.00 -0.94 0.00 0.00 39.48 38.48 2wbp n PHE 271 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2wbp s SER 272 N -1.74 5.20 0.16 4.37 0.01 -0.80 -2.75 113.70 118.15 2wbp s SER 272 Ca 0.15 -0.19 -0.18 0.00 1.31 0.00 0.00 55.95 57.04 2wbp s SER 272 Cb 0.13 -1.27 0.04 0.00 0.21 0.00 0.00 66.02 65.12 2wbp s SER 272 CO 0.02 0.12 0.49 0.00 0.41 0.00 0.00 173.24 174.29 2wbp s ALA 273 N -1.57 -1.12 0.67 1.44 0.00 -0.48 -5.00 121.76 115.70 2wbp s ALA 273 Ca 0.28 0.05 -0.13 0.00 0.00 0.00 0.00 51.96 52.16 2wbp s ALA 273 Cb -0.11 0.79 -0.00 0.00 0.00 0.00 0.00 23.12 23.81 2wbp s ALA 273 CO 0.21 -0.73 1.07 -1.25 0.00 0.00 0.00 175.76 175.05 2wbp s PRO 274 N -3.81 2.96 0.71 0.00 0.04 -1.26 -0.40 135.00 133.24 2wbp s PRO 274 Ca 0.04 1.10 -0.16 0.00 0.04 0.00 0.00 61.00 62.03 2wbp s PRO 274 Cb 0.00 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 2wbp s PRO 274 CO -0.09 -1.09 0.90 0.00 0.04 0.00 0.00 177.00 176.76 2wbp n ALA 275 N -2.75 -0.40 -1.69 8.56 0.00 0.04 -4.53 120.51 119.73 2wbp n ALA 275 Ca 0.08 -0.18 -0.52 0.00 0.00 0.00 0.00 53.44 52.83 2wbp n ALA 275 Cb 0.53 -2.08 -0.06 0.00 0.00 0.00 0.00 19.45 17.85 2wbp n ALA 275 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2wbp n GLU 276 N -1.62 1.83 -0.96 0.00 4.07 -1.26 -1.51 120.64 121.18 2wbp n GLU 276 Ca 0.13 0.67 0.00 0.00 -0.06 0.00 0.00 57.16 57.90 2wbp n GLU 276 Cb 0.49 -2.46 0.00 0.00 -0.06 0.00 0.00 31.44 29.41 2wbp n GLU 276 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wbp n GLY 277 N 4.35 0.21 3.50 8.31 0.00 -1.26 -4.94 105.19 115.35 2wbp n GLY 277 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 2wbp n GLY 277 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wbp s ASP 278 N -2.04 6.57 0.32 1.61 -1.08 -0.57 -4.87 116.67 116.61 2wbp s ASP 278 Ca 0.00 -1.77 0.13 0.00 -0.52 0.00 0.00 52.55 50.39 2wbp s ASP 278 Cb 0.00 -2.48 0.53 0.00 -1.46 0.00 0.00 42.92 39.51 2wbp s ASP 278 CO 0.00 -1.27 1.69 -0.33 0.52 0.00 0.00 175.17 175.78 2wbp h GLU 279 N 9.27 0.00 -0.28 4.34 5.08 -1.92 -1.09 114.58 129.98 2wbp h GLU 279 Ca 0.18 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 2wbp h GLU 279 Cb 1.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 2wbp h GLU 279 CO 1.25 0.50 -0.06 1.49 -1.00 0.00 0.00 179.01 181.20 2wbp h GLU 280 N 0.00 0.53 -0.69 2.33 4.81 -1.99 -0.72 114.58 118.85 2wbp h GLU 280 Ca -0.01 -0.20 0.03 0.00 -0.13 0.00 0.00 59.36 59.06 2wbp h GLU 280 Cb 0.95 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.26 2wbp h GLU 280 CO 0.07 0.73 0.43 0.00 -0.73 0.00 0.00 179.01 179.50 2wbp h ALA 281 N 0.78 0.91 -0.50 2.92 0.00 -1.85 -1.99 119.26 119.53 2wbp h ALA 281 Ca 0.07 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2wbp h ALA 281 Cb 0.53 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2wbp h ALA 281 CO 0.03 0.19 0.32 0.00 0.00 0.00 0.00 179.25 179.79 2wbp h ALA 282 N 1.30 0.63 -0.69 0.00 0.00 -0.97 -0.65 119.26 118.89 2wbp h ALA 282 Ca 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2wbp h ALA 282 Cb 0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2wbp h ALA 282 CO -0.12 0.06 0.44 0.00 0.00 0.00 0.00 179.25 179.63 2wbp h ALA 283 N 1.19 0.87 -0.53 0.00 0.00 -0.90 0.68 119.26 120.56 2wbp h ALA 283 Ca 0.19 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2wbp h ALA 283 Cb -0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2wbp h ALA 283 CO -0.05 0.32 0.17 0.00 0.00 0.00 0.00 179.25 179.69 2wbp h ALA 284 N 1.24 0.70 -0.60 0.00 0.00 -0.89 -1.06 119.26 118.64 2wbp h ALA 284 Ca 0.25 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2wbp h ALA 284 Cb -0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2wbp h ALA 284 CO -0.05 0.36 -0.02 1.25 0.00 0.00 0.00 179.25 180.79 2wbp h LEU 285 N 0.74 1.06 -0.87 0.00 5.85 -0.85 -0.27 115.31 120.96 2wbp h LEU 285 Ca 0.17 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2wbp h LEU 285 Cb 0.28 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2wbp h LEU 285 CO -0.01 1.12 0.55 1.23 -0.34 0.00 0.00 178.44 180.99 2wbp h GLY 286 N 0.97 1.25 0.90 3.75 0.00 -0.69 0.47 103.07 109.72 2wbp h GLY 286 Ca 0.17 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 2wbp h GLY 286 CO 0.03 0.48 0.01 -0.84 0.00 0.00 0.00 176.54 176.23 2wbp h THR 287 N 1.19 1.25 -0.61 4.70 2.02 -1.01 -2.19 112.91 118.26 2wbp h THR 287 Ca 0.31 -0.93 0.03 0.00 0.77 0.00 0.00 66.41 66.59 2wbp h THR 287 Cb -0.08 1.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 2wbp h THR 287 CO -0.06 0.31 0.38 0.25 0.37 0.00 0.00 175.52 176.76 2wbp h LEU 288 N 0.39 0.61 -0.26 2.58 5.85 -0.61 -1.08 115.31 122.78 2wbp h LEU 288 Ca 0.10 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.85 2wbp h LEU 288 Cb 0.43 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 2wbp h LEU 288 CO 0.01 0.43 0.07 0.03 -0.34 0.00 0.00 178.44 178.64 2wbp h ARG 289 N 0.74 0.17 -0.73 1.25 3.08 -0.74 0.37 114.38 118.52 2wbp h ARG 289 Ca 0.24 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.30 2wbp h ARG 289 Cb 0.02 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 2wbp h ARG 289 CO -0.10 0.11 0.48 0.87 -1.07 0.00 0.00 179.97 180.26 2wbp h LYS 290 N 0.18 0.92 -0.14 0.04 1.57 -0.96 -0.48 116.57 117.70 2wbp h LYS 290 Ca 0.12 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.67 2wbp h LYS 290 Cb 0.11 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 2wbp h LYS 290 CO -0.14 0.61 -0.63 -0.07 -0.57 0.00 0.00 179.45 178.65 2wbp h LEU 291 N 0.95 0.58 -0.36 2.94 3.38 -0.84 -1.68 115.31 120.28 2wbp h LEU 291 Ca 0.28 -0.34 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 2wbp h LEU 291 Cb -0.05 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 2wbp h LEU 291 CO -0.08 1.06 -0.45 0.40 0.09 0.00 0.00 178.44 179.46 2wbp h ILE 292 N 0.37 1.27 -0.96 1.22 2.04 -0.84 -2.48 117.51 118.14 2wbp h ILE 292 Ca -0.01 -1.63 0.06 0.00 1.00 0.00 0.00 64.86 64.27 2wbp h ILE 292 Cb 1.19 1.48 -0.06 0.00 -0.74 0.00 0.00 36.82 38.69 2wbp h ILE 292 CO 0.11 0.54 0.62 0.44 0.00 0.00 0.00 178.15 179.86 2wbp h ASP 293 N 0.72 0.99 1.35 1.72 3.32 -0.96 -0.64 116.42 122.92 2wbp h ASP 293 Ca 0.04 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 2wbp h ASP 293 Cb 1.05 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.40 2wbp h ASP 293 CO 0.11 0.65 -0.01 0.00 -1.72 0.00 0.00 179.24 178.26 2wbp h ALA 294 N 1.43 1.00 -0.01 3.45 0.00 -1.14 -3.22 119.26 120.77 2wbp h ALA 294 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2wbp h ALA 294 Cb 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2wbp h ALA 294 CO -0.16 0.02 -0.09 -1.13 0.00 0.00 0.00 179.25 177.88 2wbp n SER 295 N -3.11 1.55 -4.73 0.00 3.41 -0.52 -5.00 113.62 105.23 2wbp n SER 295 Ca 0.02 -1.28 -0.42 0.00 -0.26 0.00 0.00 58.87 56.93 2wbp n SER 295 Cb 0.39 0.22 -0.02 0.00 -0.26 0.00 0.00 64.21 64.54 2wbp n SER 295 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2wbp n LEU 296 N 0.19 4.03 -4.37 1.04 7.94 -0.36 -4.79 117.00 120.68 2wbp n LEU 296 Ca 0.05 1.15 -0.19 0.00 -1.11 0.00 0.00 56.01 55.91 2wbp n LEU 296 Cb 0.23 -1.55 -0.10 0.00 0.53 0.00 0.00 43.42 42.54 2wbp n LEU 296 CO 0.09 -0.03 -0.24 -0.72 -1.11 0.00 0.00 177.39 175.38 2wbp s TYR 297 N -0.10 1.68 -0.03 1.96 -0.85 -0.06 -4.95 117.35 114.99 2wbp s TYR 297 Ca 0.64 -1.17 0.01 0.00 -0.52 0.00 0.00 57.07 56.03 2wbp s TYR 297 Cb -0.54 -1.01 -0.03 0.00 0.38 0.00 0.00 41.96 40.76 2wbp s TYR 297 CO 0.50 -0.28 -0.03 -1.21 -1.52 0.00 0.00 175.55 173.01 2wbp s GLU 298 N -3.92 2.78 -0.16 -3.49 2.02 -1.26 -1.08 118.70 113.59 2wbp s GLU 298 Ca 0.36 -0.57 -0.01 0.00 0.02 0.00 0.00 54.97 54.76 2wbp s GLU 298 Cb 0.07 -2.65 0.04 0.00 0.10 0.00 0.00 34.13 31.69 2wbp s GLU 298 CO 0.15 0.65 -0.03 -1.17 0.02 0.00 0.00 175.26 174.88 2wbp s LEU 299 N -1.22 1.37 -0.32 1.80 2.96 0.04 -4.98 118.68 118.33 2wbp s LEU 299 Ca 0.16 -0.61 -0.17 0.00 -0.22 0.00 0.00 54.13 53.30 2wbp s LEU 299 Cb -0.11 -0.78 -0.01 0.00 0.50 0.00 0.00 46.19 45.79 2wbp s LEU 299 CO 0.06 -0.21 0.45 -0.69 -1.32 0.00 0.00 176.35 174.64 2wbp s VAL 300 N 1.73 5.09 -0.78 1.68 1.01 -1.26 -0.85 120.40 127.02 2wbp s VAL 300 Ca 0.01 0.36 -0.20 0.00 0.00 0.00 0.00 61.98 62.15 2wbp s VAL 300 Cb -0.15 -3.86 0.11 0.00 0.00 0.00 0.00 36.38 32.48 2wbp s VAL 300 CO -0.07 -0.08 0.99 -0.76 0.00 0.00 0.00 175.10 175.18 2wbp s LEU 301 N 2.22 4.93 0.77 3.92 1.43 -1.26 -5.02 118.68 125.68 2wbp s LEU 301 Ca 0.16 -1.60 -0.11 0.00 -1.03 0.00 0.00 54.13 51.56 2wbp s LEU 301 Cb -0.16 -2.38 0.06 0.00 0.03 0.00 0.00 46.19 43.74 2wbp s LEU 301 CO 0.12 -1.19 1.09 -0.62 0.23 0.00 0.00 176.35 175.98 2wbp s ASP 302 N 3.60 4.50 -0.06 2.29 2.15 -1.26 -4.71 116.67 123.19 2wbp s ASP 302 Ca 0.25 1.80 -0.39 0.00 0.43 0.00 0.00 52.55 54.64 2wbp s ASP 302 Cb -0.12 -2.51 -0.18 0.00 -0.30 0.00 0.00 42.92 39.81 2wbp s ASP 302 CO -0.00 -2.03 1.34 1.67 -0.17 0.00 0.00 175.17 175.98 2wbp n GLN 303 N -3.52 0.67 -0.14 4.34 7.27 -1.26 -0.94 117.38 123.80 2wbp n GLN 303 Ca 0.09 0.24 0.00 0.00 0.07 0.00 0.00 57.00 57.40 2wbp n GLN 303 Cb 0.53 -1.83 0.00 0.00 2.41 0.00 0.00 30.24 31.35 2wbp n GLN 303 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2wbp n GLY 304 N 2.61 1.33 3.77 1.69 0.00 0.64 -4.82 105.19 110.41 2wbp n GLY 304 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 2wbp n GLY 304 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wbp s ASP 305 N -3.02 7.42 -0.06 1.61 1.01 -0.12 -2.51 116.67 121.00 2wbp s ASP 305 Ca 0.00 1.82 0.05 0.00 0.71 0.00 0.00 52.55 55.13 2wbp s ASP 305 Cb 0.00 -2.57 -0.01 0.00 1.01 0.00 0.00 42.92 41.36 2wbp s ASP 305 CO 0.00 0.05 -0.22 -0.69 0.21 0.00 0.00 175.17 174.52 2wbp s VAL 306 N -1.41 1.81 -0.02 -1.27 1.01 -0.12 -0.93 120.40 119.48 2wbp s VAL 306 Ca 0.45 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.58 2wbp s VAL 306 Cb -0.21 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 2wbp s VAL 306 CO 0.27 0.51 -0.24 0.00 0.00 0.00 0.00 175.10 175.64 2wbp s ALA 307 N 0.03 1.96 -0.34 5.51 0.00 -0.10 0.01 121.76 128.83 2wbp s ALA 307 Ca -0.07 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 50.87 2wbp s ALA 307 Cb -0.14 -0.50 0.08 0.00 0.00 0.00 0.00 23.12 22.56 2wbp s ALA 307 CO 0.04 0.48 0.07 -0.06 0.00 0.00 0.00 175.76 176.29 2wbp s PHE 308 N -0.55 3.47 0.00 0.00 0.08 0.69 -0.60 117.98 121.07 2wbp s PHE 308 Ca 0.09 -2.31 -0.25 0.00 0.12 0.00 0.00 56.93 54.58 2wbp s PHE 308 Cb -0.09 -2.62 -0.05 0.00 -0.57 0.00 0.00 43.02 39.70 2wbp s PHE 308 CO -0.01 -0.89 0.77 0.42 -0.10 0.00 0.00 175.22 175.41 2wbp s ILE 309 N 1.14 4.85 -0.69 0.64 1.01 0.33 -0.99 121.20 127.48 2wbp s ILE 309 Ca 0.02 1.63 -0.27 0.00 0.00 0.00 0.00 60.65 62.02 2wbp s ILE 309 Cb -0.21 -4.12 0.03 0.00 0.01 0.00 0.00 42.46 38.18 2wbp s ILE 309 CO -0.04 0.30 1.27 -0.62 0.00 0.00 0.00 174.94 175.85 2wbp s ASP 310 N 0.35 6.22 0.00 3.58 -1.08 -0.12 -1.39 116.67 124.24 2wbp s ASP 310 Ca 0.40 -0.28 0.25 0.00 -0.52 0.00 0.00 52.55 52.40 2wbp s ASP 310 Cb -0.20 -2.56 1.51 0.00 -1.46 0.00 0.00 42.92 40.21 2wbp s ASP 310 CO 0.22 -1.75 1.87 -3.20 0.52 0.00 0.00 175.17 172.83 2wbp n ASN 311 N 9.19 0.00 -0.05 -0.34 5.15 -0.02 -1.58 115.26 127.60 2wbp n ASN 311 Ca 0.05 -0.76 -0.11 0.00 -0.60 0.00 0.00 54.58 53.16 2wbp n ASN 311 Cb 0.49 -0.01 -0.14 0.00 -0.53 0.00 0.00 39.78 39.58 2wbp n ASN 311 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2wbp n ARG 312 N -1.01 0.67 0.01 1.20 3.00 -1.26 -4.55 116.66 114.72 2wbp n ARG 312 Ca 0.19 0.18 0.04 0.00 -0.01 0.00 0.00 57.85 58.25 2wbp n ARG 312 Cb 0.09 -1.67 -0.11 0.00 0.00 0.00 0.00 32.46 30.77 2wbp n ARG 312 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2wbp n ARG 313 N -3.02 0.64 -3.99 5.56 1.74 -0.93 -0.27 116.66 116.40 2wbp n ARG 313 Ca -0.27 0.02 -0.10 0.00 -0.77 0.00 0.00 57.85 56.74 2wbp n ARG 313 Cb 1.08 -1.66 -0.11 0.00 -1.02 0.00 0.00 32.46 30.75 2wbp n ARG 313 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wbp s ALA 314 N -3.12 0.17 0.23 7.54 0.00 -0.62 -3.70 121.76 122.26 2wbp s ALA 314 Ca -0.05 -0.58 0.02 0.00 0.00 0.00 0.00 51.96 51.34 2wbp s ALA 314 Cb 0.10 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 2wbp s ALA 314 CO 0.84 -0.13 0.39 0.14 0.00 0.00 0.00 175.76 177.00 2wbp s VAL 315 N -1.37 5.23 0.08 0.00 -7.23 -0.10 -4.50 120.40 112.50 2wbp s VAL 315 Ca -0.14 -0.65 -0.03 0.00 -1.81 0.00 0.00 61.98 59.35 2wbp s VAL 315 Cb -0.09 -3.80 -0.03 0.00 0.56 0.00 0.00 36.38 33.01 2wbp s VAL 315 CO -0.01 -0.29 0.04 -1.38 -0.31 0.00 0.00 175.10 173.16 2wbp s HIS 316 N -1.97 0.54 0.00 2.82 -3.43 -0.87 -1.97 115.29 110.42 2wbp s HIS 316 Ca 0.37 -1.02 0.00 0.00 -0.80 0.00 0.00 55.06 53.60 2wbp s HIS 316 Cb -0.10 -0.35 0.00 0.00 -1.43 0.00 0.00 32.58 30.70 2wbp s HIS 316 CO 0.30 -0.45 0.00 0.41 -2.00 0.00 0.00 174.74 173.00 2wbp n GLY 317 N 0.02 3.06 3.30 -1.38 0.00 -0.21 -1.28 105.19 108.71 2wbp n GLY 317 Ca -0.12 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 2wbp n GLY 317 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wbp s ARG 318 N 1.16 0.44 0.70 1.61 3.52 -0.68 -0.95 118.95 124.76 2wbp s ARG 318 Ca 0.00 0.70 -0.16 0.00 -0.13 0.00 0.00 55.73 56.15 2wbp s ARG 318 Cb 0.00 0.10 0.02 0.00 -1.56 0.00 0.00 34.95 33.51 2wbp s ARG 318 CO 0.00 -0.11 1.21 1.03 -0.81 0.00 0.00 175.30 176.62 2wbp s ARG 319 N 0.86 2.31 0.48 5.12 1.81 -0.40 -0.85 118.95 128.28 2wbp s ARG 319 Ca -0.05 1.77 -0.24 0.00 -1.72 0.00 0.00 55.73 55.49 2wbp s ARG 319 Cb -0.06 -1.85 -0.07 0.00 -0.45 0.00 0.00 34.95 32.52 2wbp s ARG 319 CO -0.07 -1.71 1.41 0.00 -0.68 0.00 0.00 175.30 174.25 2wbp s ALA 320 N -1.91 3.11 0.08 2.13 0.00 -1.26 -4.68 121.76 119.24 2wbp s ALA 320 Ca 0.75 1.43 -0.14 0.00 0.00 0.00 0.00 51.96 53.99 2wbp s ALA 320 Cb -0.30 -3.58 0.02 0.00 0.00 0.00 0.00 23.12 19.27 2wbp s ALA 320 CO 0.43 -1.25 0.33 -0.59 0.00 0.00 0.00 175.76 174.69 2wbp s PHE 321 N -1.23 -0.12 -0.31 0.00 -0.12 -0.04 -4.96 117.98 111.20 2wbp s PHE 321 Ca 0.64 -0.11 -0.22 0.00 -0.05 0.00 0.00 56.93 57.19 2wbp s PHE 321 Cb -0.43 0.14 -0.00 0.00 -0.63 0.00 0.00 43.02 42.10 2wbp s PHE 321 CO 0.54 -0.59 0.71 -0.65 -0.05 0.00 0.00 175.22 175.17 2wbp s GLN 322 N -3.19 3.90 0.65 1.99 -1.52 -1.26 -2.52 119.66 117.72 2wbp s GLN 322 Ca -0.01 0.41 -0.15 0.00 -1.95 0.00 0.00 55.36 53.66 2wbp s GLN 322 Cb 0.01 -3.74 -0.00 0.00 -0.22 0.00 0.00 33.01 29.06 2wbp s GLN 322 CO -0.07 -0.64 1.10 -1.25 -0.25 0.00 0.00 175.29 174.18 2wbp s PRO 323 N 2.79 2.86 -0.21 2.91 0.04 -1.26 -4.99 135.00 137.14 2wbp s PRO 323 Ca 0.28 1.37 -0.18 0.00 0.04 0.00 0.00 61.00 62.51 2wbp s PRO 323 Cb -0.14 -1.96 -0.15 0.00 0.04 0.00 0.00 34.50 32.29 2wbp s PRO 323 CO 0.13 -1.20 0.04 0.54 0.04 0.00 0.00 177.00 176.54 2wbp n ARG 324 N -2.37 0.55 -2.70 4.56 1.74 -1.26 -5.00 116.66 112.18 2wbp n ARG 324 Ca 0.10 0.50 -0.20 0.00 -0.77 0.00 0.00 57.85 57.48 2wbp n ARG 324 Cb 0.52 -1.68 0.01 0.00 -1.02 0.00 0.00 32.46 30.29 2wbp n ARG 324 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2wbp n TYR 325 N -4.43 -1.43 -0.29 -1.55 4.01 -1.26 -4.89 117.16 107.31 2wbp n TYR 325 Ca -0.32 0.27 0.04 0.00 -0.16 0.00 0.00 57.90 57.73 2wbp n TYR 325 Cb 0.65 -4.06 0.09 0.00 -0.31 0.00 0.00 39.34 35.70 2wbp n TYR 325 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2wbp n ASP 326 N -2.01 2.50 0.00 7.72 5.75 -1.26 -4.97 116.55 124.28 2wbp n ASP 326 Ca -0.16 -2.25 0.00 0.00 -0.01 0.00 0.00 54.79 52.37 2wbp n ASP 326 Cb 0.64 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 2wbp n ASP 326 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wbp n GLY 327 N -0.33 0.66 0.53 6.12 0.00 -1.26 -4.94 105.19 105.97 2wbp n GLY 327 Ca 0.08 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.16 2wbp n GLY 327 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wbp n ARG 328 N -2.00 1.44 -1.68 1.61 5.12 -1.26 -0.56 116.66 119.33 2wbp n ARG 328 Ca 0.00 -3.08 -0.34 0.00 -1.93 0.00 0.00 57.85 52.49 2wbp n ARG 328 Cb 0.00 -1.51 0.07 0.00 -1.16 0.00 0.00 32.46 29.85 2wbp n ARG 328 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2wbp s ASP 329 N -3.09 4.69 0.17 0.55 1.01 -1.26 -4.66 116.67 114.09 2wbp s ASP 329 Ca 0.36 2.29 -0.32 0.00 0.71 0.00 0.00 52.55 55.59 2wbp s ASP 329 Cb 0.35 -2.58 -0.16 0.00 1.01 0.00 0.00 42.92 41.53 2wbp s ASP 329 CO -0.05 -1.92 1.00 -1.14 0.21 0.00 0.00 175.17 173.26 2wbp n ARG 330 N -2.31 0.81 -3.67 8.23 0.63 -1.26 -4.79 116.66 114.31 2wbp n ARG 330 Ca 0.13 0.29 -0.09 0.00 -0.92 0.00 0.00 57.85 57.26 2wbp n ARG 330 Cb 0.50 -1.67 -0.09 0.00 0.45 0.00 0.00 32.46 31.65 2wbp n ARG 330 CO 0.00 0.00 0.00 -0.46 -2.51 0.00 0.00 177.63 174.66 2wbp s TRP 331 N -0.47 -0.78 0.16 -0.14 -0.00 -0.51 -4.29 118.94 112.91 2wbp s TRP 331 Ca 0.71 1.52 0.10 0.00 -0.00 0.00 0.00 56.10 58.43 2wbp s TRP 331 Cb -0.90 0.33 -0.04 0.00 -0.00 0.00 0.00 33.47 32.86 2wbp s TRP 331 CO 0.55 -0.46 -0.22 -0.51 -0.00 0.00 0.00 176.95 176.32 2wbp s LEU 332 N 2.29 2.40 0.02 5.86 1.02 -0.18 -0.72 118.68 129.38 2wbp s LEU 332 Ca -0.04 -0.83 -0.02 0.00 0.02 0.00 0.00 54.13 53.26 2wbp s LEU 332 Cb -0.11 -1.00 -0.04 0.00 0.02 0.00 0.00 46.19 45.06 2wbp s LEU 332 CO -0.13 0.06 0.21 -0.54 0.02 0.00 0.00 176.35 175.96 2wbp s LYS 333 N -2.54 3.46 0.02 1.70 -0.14 -0.16 -0.64 119.74 121.45 2wbp s LYS 333 Ca 0.16 -0.32 0.01 0.00 -1.36 0.00 0.00 55.97 54.46 2wbp s LYS 333 Cb -0.08 -3.07 -0.02 0.00 -1.68 0.00 0.00 37.83 32.99 2wbp s LYS 333 CO 0.07 0.64 -0.05 0.50 -0.76 0.00 0.00 175.35 175.76 2wbp s ARG 334 N -2.13 0.38 -0.12 1.68 3.52 -0.11 -0.70 118.95 121.47 2wbp s ARG 334 Ca 0.30 -0.58 -0.11 0.00 -0.13 0.00 0.00 55.73 55.22 2wbp s ARG 334 Cb -0.13 -0.11 0.03 0.00 -1.56 0.00 0.00 34.95 33.18 2wbp s ARG 334 CO 0.21 0.01 0.33 -1.50 -0.81 0.00 0.00 175.30 173.54 2wbp s ILE 335 N -1.17 -0.00 -0.04 4.11 2.07 -0.33 -0.70 121.20 125.14 2wbp s ILE 335 Ca -0.10 0.01 -0.16 0.00 -1.41 0.00 0.00 60.65 58.98 2wbp s ILE 335 Cb -0.08 -0.46 -0.05 0.00 0.13 0.00 0.00 42.46 41.99 2wbp s ILE 335 CO -0.00 0.00 0.42 0.20 -1.91 0.00 0.00 174.94 173.65 2wbp s ASN 336 N 0.23 6.77 -0.05 4.50 0.01 -1.26 -0.43 114.94 124.71 2wbp s ASN 336 Ca -0.00 0.91 0.02 0.00 -0.71 0.00 0.00 52.86 53.08 2wbp s ASN 336 Cb -0.03 -2.26 0.01 0.00 0.41 0.00 0.00 41.25 39.39 2wbp s ASN 336 CO -0.00 0.23 -0.10 -0.63 -1.51 0.00 0.00 177.10 175.09 2wbp s ILE 337 N -0.56 0.92 0.07 0.60 1.01 -0.27 -1.93 121.20 121.04 2wbp s ILE 337 Ca 0.24 -0.37 0.08 0.00 0.00 0.00 0.00 60.65 60.60 2wbp s ILE 337 Cb -0.16 -0.85 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 2wbp s ILE 337 CO 0.12 0.30 -0.20 0.28 0.00 0.00 0.00 174.94 175.44 2wbp s THR 338 N 0.60 2.63 0.13 2.92 -1.32 0.22 -0.75 115.64 120.08 2wbp s THR 338 Ca -0.11 -1.34 0.34 0.00 -1.21 0.00 0.00 61.69 59.37 2wbp s THR 338 Cb -0.14 -2.12 0.39 0.00 -1.51 0.00 0.00 72.50 69.12 2wbp s THR 338 CO 0.02 0.27 2.02 0.03 -2.21 0.00 0.00 174.62 174.75 2wbp h ARG 339 N 4.36 0.00 -1.66 7.08 2.47 -1.85 0.19 114.38 124.97 2wbp h ARG 339 Ca -0.48 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.06 2wbp h ARG 339 Cb 1.16 0.00 -0.28 0.00 -1.65 0.00 0.00 29.97 29.20 2wbp h ARG 339 CO 0.46 0.00 -0.53 0.34 0.56 0.00 0.00 179.97 180.80 2wbp s ASP 340 N -5.44 0.26 0.53 7.04 2.15 -1.25 -4.76 116.67 115.20 2wbp s ASP 340 Ca 0.00 -0.37 0.20 0.00 0.43 0.00 0.00 52.55 52.81 2wbp s ASP 340 Cb 0.10 1.16 1.34 0.00 -0.30 0.00 0.00 42.92 45.22 2wbp s ASP 340 CO 0.50 -0.35 2.10 0.25 -0.17 0.00 0.00 175.17 177.50 2wbp h LEU 341 N 8.13 0.00 -1.50 -1.34 5.85 -1.91 -1.81 115.31 122.73 2wbp h LEU 341 Ca -0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2wbp h LEU 341 Cb 1.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.15 2wbp h LEU 341 CO 0.25 0.00 0.00 0.45 -0.34 0.00 0.00 178.44 178.80 2wbp h HIS 342 N 0.00 0.00 0.00 1.25 3.86 -1.96 -2.39 115.15 115.91 2wbp h HIS 342 Ca 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 2wbp h HIS 342 Cb 0.35 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.82 2wbp h HIS 342 CO 0.00 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.79 2wbp h ARG 343 N 0.00 0.00 -0.44 2.45 3.08 -1.76 -2.62 114.38 115.09 2wbp h ARG 343 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wbp h ARG 343 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2wbp h ARG 343 CO 0.00 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.33 2wbp n SER 344 N -2.71 4.10 0.29 7.04 7.64 -0.90 -4.69 113.62 124.39 2wbp n SER 344 Ca 0.01 -2.56 0.17 0.00 1.01 0.00 0.00 58.87 57.49 2wbp n SER 344 Cb 0.27 -0.49 0.85 0.00 -1.01 0.00 0.00 64.21 63.84 2wbp n SER 344 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 2wbp h ARG 345 N 2.82 0.00 -0.38 1.43 0.11 -1.57 0.37 114.38 117.16 2wbp h ARG 345 Ca 0.00 0.00 0.03 0.00 0.10 0.00 0.00 59.98 60.11 2wbp h ARG 345 Cb 1.32 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.38 2wbp h ARG 345 CO 0.19 0.06 0.26 -0.22 0.10 0.00 0.00 179.97 180.35 2wbp h LYS 346 N 0.00 0.39 -0.05 0.08 3.64 -1.86 -2.37 116.57 116.40 2wbp h LYS 346 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2wbp h LYS 346 Cb 0.29 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2wbp h LYS 346 CO 0.01 0.26 0.00 0.00 -2.27 0.00 0.00 179.45 177.45 2wbp n ALA 347 N -2.50 2.49 -1.62 5.00 0.00 0.13 -4.73 120.51 119.28 2wbp n ALA 347 Ca 0.04 -0.65 -0.44 0.00 0.00 0.00 0.00 53.44 52.39 2wbp n ALA 347 Cb 0.15 -0.91 -0.04 0.00 0.00 0.00 0.00 19.45 18.66 2wbp n ALA 347 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2wbp n TRP 348 N 1.04 2.16 -2.78 0.00 7.02 -0.90 -0.53 117.44 123.46 2wbp n TRP 348 Ca 0.16 -0.16 -0.43 0.00 -1.02 0.00 0.00 57.50 56.05 2wbp n TRP 348 Cb 0.53 -2.73 0.00 0.00 -2.42 0.00 0.00 31.31 26.70 2wbp n TRP 348 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2wbp n ALA 349 N 9.49 4.74 -0.40 6.99 0.00 -0.63 -4.52 120.51 136.18 2wbp n ALA 349 Ca 0.27 -4.44 0.00 0.00 0.00 0.00 0.00 53.44 49.27 2wbp n ALA 349 Cb 0.39 -2.81 0.00 0.00 0.00 0.00 0.00 19.45 17.03 2wbp n ALA 349 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wbp n GLY 350 N 2.88 0.26 3.49 0.00 0.00 -1.26 -4.84 105.19 105.72 2wbp n GLY 350 Ca 0.34 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.27 2wbp n GLY 350 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2wbp s ASP 351 N -2.21 -0.22 0.29 1.61 -4.77 -1.26 -5.06 116.67 105.05 2wbp s ASP 351 Ca 0.00 -0.53 0.25 0.00 -3.30 0.00 0.00 52.55 48.97 2wbp s ASP 351 Cb 0.00 0.56 1.00 0.00 -1.09 0.00 0.00 42.92 43.38 2wbp s ASP 351 CO 0.00 -1.03 1.75 0.77 0.70 0.00 0.00 175.17 177.36 2wbp h SER 352 N 2.25 0.00 -0.00 2.11 4.64 -1.92 -3.06 113.55 117.57 2wbp h SER 352 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2wbp h SER 352 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2wbp h SER 352 CO 0.39 0.00 -0.93 0.54 -0.87 0.00 0.00 176.83 175.96 2wbp n ARG 353 N -2.35 0.18 -4.02 4.77 5.12 -1.26 -4.80 116.66 114.30 2wbp n ARG 353 Ca 0.02 -0.13 -0.30 0.00 -1.93 0.00 0.00 57.85 55.51 2wbp n ARG 353 Cb 0.27 -1.49 -0.16 0.00 -1.16 0.00 0.00 32.46 29.91 2wbp n ARG 353 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2wbp s VAL 354 N -2.93 1.60 0.27 1.55 1.01 -1.16 0.07 120.40 120.82 2wbp s VAL 354 Ca 0.09 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.46 2wbp s VAL 354 Cb 0.16 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 2wbp s VAL 354 CO 0.83 0.44 0.39 -0.76 0.00 0.00 0.00 175.10 176.00 2wbp s LEU 355 N 1.47 4.20 0.00 3.92 1.43 0.02 -1.60 118.68 128.12 2wbp s LEU 355 Ca 0.05 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2wbp s LEU 355 Cb -0.13 -2.81 0.00 0.00 0.03 0.00 0.00 46.19 43.28 2wbp s LEU 355 CO -0.11 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 176.90 2wbp n GLY 356 N -1.47 -0.63 0.00 -3.19 0.00 0.31 -0.78 105.19 99.43 2wbp n GLY 356 Ca -0.06 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.12 2wbp n GLY 356 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26