#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wbe n HIS 7 N 0.00 0.00 -1.70 -1.84 1.44 -1.26 -5.12 115.22 106.74 1wbe n HIS 7 Ca 0.00 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.33 1wbe n HIS 7 Cb 0.00 0.07 0.05 0.00 0.12 0.00 0.00 29.99 30.23 1wbe n HIS 7 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1wbe n LEU 8 N 0.00 4.99 -4.84 2.39 4.32 -1.26 -4.97 117.00 117.62 1wbe n LEU 8 Ca 0.00 0.92 -0.32 0.00 -0.02 0.00 0.00 56.01 56.59 1wbe n LEU 8 Cb 0.13 -1.52 -0.02 0.00 -1.62 0.00 0.00 43.42 40.39 1wbe n LEU 8 CO 0.00 -1.00 0.69 -0.76 -1.22 0.00 0.00 177.39 175.10 1wbe s LEU 9 N -3.04 3.57 0.67 2.23 1.02 -1.26 -4.94 118.68 116.92 1wbe s LEU 9 Ca 0.74 1.58 -0.17 0.00 0.02 0.00 0.00 54.13 56.30 1wbe s LEU 9 Cb -0.42 -4.51 -0.00 0.00 0.02 0.00 0.00 46.19 41.28 1wbe s LEU 9 CO 0.48 -0.69 1.24 0.54 0.02 0.00 0.00 176.35 177.94 1wbe n ARG 10 N -1.75 0.95 -1.41 1.70 1.74 -1.26 -4.87 116.66 111.76 1wbe n ARG 10 Ca 0.07 0.38 -0.35 0.00 -0.77 0.00 0.00 57.85 57.18 1wbe n ARG 10 Cb 0.54 -2.47 0.10 0.00 -1.02 0.00 0.00 32.46 29.60 1wbe n ARG 10 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1wbe n PRO 11 N -1.98 0.64 -2.21 5.56 -0.02 -1.26 -4.90 135.00 130.82 1wbe n PRO 11 Ca 0.15 0.29 -0.43 0.00 -2.02 0.00 0.00 63.50 61.49 1wbe n PRO 11 Cb 0.48 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.46 1wbe n PRO 11 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1wbe s LEU 12 N -4.92 4.16 0.83 2.45 2.96 -1.26 -5.03 118.68 117.86 1wbe s LEU 12 Ca 0.78 1.84 -0.12 0.00 -0.22 0.00 0.00 54.13 56.42 1wbe s LEU 12 Cb -0.34 -3.54 0.10 0.00 0.50 0.00 0.00 46.19 42.92 1wbe s LEU 12 CO 0.46 -0.94 1.16 -2.84 -1.32 0.00 0.00 176.35 172.87 1wbe s PRO 13 N 3.97 1.58 0.22 0.98 0.02 -1.26 -4.92 135.00 135.59 1wbe s PRO 13 Ca 0.65 1.56 -0.08 0.00 0.02 0.00 0.00 61.00 63.15 1wbe s PRO 13 Cb -0.26 -1.79 0.30 0.00 0.02 0.00 0.00 34.50 32.77 1wbe s PRO 13 CO 0.23 -2.21 1.78 0.00 -0.33 0.00 0.00 177.00 176.47 1wbe h ALA 14 N -1.24 0.91 0.00 -1.55 0.00 -1.96 -0.72 119.26 114.71 1wbe h ALA 14 Ca -0.45 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1wbe h ALA 14 Cb 1.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1wbe h ALA 14 CO 0.46 -0.07 0.00 -0.40 0.00 0.00 0.00 179.25 179.24 1wbe n ASP 15 N -4.88 0.00 -1.03 0.00 5.68 -1.26 -4.90 116.55 110.16 1wbe n ASP 15 Ca 0.10 -1.13 -0.13 0.00 -0.50 0.00 0.00 54.79 53.13 1wbe n ASP 15 Cb 0.25 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.18 1wbe n ASP 15 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1wbe n LYS 16 N -0.88 -1.64 -3.00 0.11 5.02 -0.28 -4.96 118.16 112.53 1wbe n LYS 16 Ca 0.17 0.95 -0.43 0.00 -2.02 0.00 0.00 58.31 56.99 1wbe n LYS 16 Cb 0.08 -5.36 -0.06 0.00 -0.02 0.00 0.00 35.03 29.67 1wbe n LYS 16 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1wbe s GLN 17 N -3.11 3.53 -0.22 1.97 -1.52 -1.26 -4.96 119.66 114.10 1wbe s GLN 17 Ca 0.00 0.01 -0.21 0.00 -1.95 0.00 0.00 55.36 53.22 1wbe s GLN 17 Cb 0.00 -3.88 -0.02 0.00 -0.22 0.00 0.00 33.01 28.88 1wbe s GLN 17 CO 0.00 -0.98 0.63 0.42 -0.25 0.00 0.00 175.29 175.12 1wbe s ILE 18 N 3.11 5.00 0.05 1.08 -1.09 -1.26 -4.75 121.20 123.35 1wbe s ILE 18 Ca 0.29 1.18 -0.31 0.00 -2.23 0.00 0.00 60.65 59.58 1wbe s ILE 18 Cb -0.13 -3.94 -0.07 0.00 -1.58 0.00 0.00 42.46 36.74 1wbe s ILE 18 CO 0.20 0.08 1.46 -1.61 -1.23 0.00 0.00 174.94 173.84 1wbe s GLU 19 N 2.13 4.27 0.11 2.79 2.02 -1.26 -0.88 118.70 127.87 1wbe s GLU 19 Ca 0.28 2.09 -0.18 0.00 0.02 0.00 0.00 54.97 57.18 1wbe s GLU 19 Cb -0.16 -3.49 -0.05 0.00 0.10 0.00 0.00 34.13 30.54 1wbe s GLU 19 CO 0.10 -0.58 1.64 1.15 0.02 0.00 0.00 175.26 177.58 1wbe h THR 20 N 4.70 1.19 0.20 3.63 2.02 -0.92 -2.64 112.91 121.08 1wbe h THR 20 Ca -0.40 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 1wbe h THR 20 Cb 1.19 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 1wbe h THR 20 CO 0.90 0.21 -0.09 1.23 0.37 0.00 0.00 175.52 178.13 1wbe h GLY 21 N 0.33 -0.27 1.55 2.16 0.00 -1.87 -1.16 103.07 103.80 1wbe h GLY 21 Ca 0.10 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1wbe h GLY 21 CO -0.01 -0.10 0.30 -2.55 0.00 0.00 0.00 176.54 174.18 1wbe h PRO 22 N -0.50 0.60 0.32 4.80 0.11 -1.95 -0.95 132.00 134.42 1wbe h PRO 22 Ca -0.03 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 1wbe h PRO 22 Cb 0.38 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.36 1wbe h PRO 22 CO 0.04 0.40 -0.15 0.35 -0.21 0.00 0.00 178.00 178.43 1wbe h PHE 23 N 0.62 -0.40 -0.95 0.65 3.57 -1.15 -1.32 116.94 117.96 1wbe h PHE 23 Ca 0.17 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.72 1wbe h PHE 23 Cb -0.07 0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.74 1wbe h PHE 23 CO 0.00 -0.15 0.62 -0.07 -2.23 0.00 0.00 178.31 176.47 1wbe h LEU 24 N -0.57 0.98 -0.37 0.59 3.38 -0.98 -0.92 115.31 117.42 1wbe h LEU 24 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1wbe h LEU 24 Cb 0.42 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1wbe h LEU 24 CO 0.07 0.63 0.17 1.05 0.09 0.00 0.00 178.44 180.46 1wbe h GLU 25 N 1.11 0.54 0.06 1.13 4.11 -1.06 -1.64 114.58 118.83 1wbe h GLU 25 Ca 0.40 -0.08 -0.00 0.00 0.07 0.00 0.00 59.36 59.75 1wbe h GLU 25 Cb 0.15 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1wbe h GLU 25 CO -0.15 0.49 -0.03 0.00 0.07 0.00 0.00 179.01 179.39 1wbe h ALA 26 N 1.02 -0.08 0.00 1.06 0.00 -0.74 -3.05 119.26 117.47 1wbe h ALA 26 Ca 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1wbe h ALA 26 Cb 0.13 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1wbe h ALA 26 CO -0.01 -0.42 -0.03 -0.39 0.00 0.00 0.00 179.25 178.40 1wbe h VAL 27 N -0.33 0.08 0.00 0.00 -1.51 -1.16 -1.80 116.25 111.53 1wbe h VAL 27 Ca -0.01 -0.58 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 1wbe h VAL 27 Cb 0.29 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 1wbe h VAL 27 CO 0.01 0.03 0.00 0.28 -1.23 0.00 0.00 177.57 176.66 1wbe h SER 28 N 0.00 0.00 0.07 4.19 0.02 -1.18 -0.81 113.55 115.84 1wbe h SER 28 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1wbe h SER 28 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1wbe h SER 28 CO 0.00 0.00 -0.00 1.41 -1.14 0.00 0.00 176.83 177.10 1wbe n HIS 29 N -2.39 0.00 -0.02 3.45 8.25 -0.68 -4.25 115.22 119.59 1wbe n HIS 29 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 1wbe n HIS 29 Cb 0.16 -0.04 -0.13 0.00 1.12 0.00 0.00 29.99 31.10 1wbe n HIS 29 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1wbe h LEU 30 N 0.07 0.30 -1.02 2.41 3.38 -1.31 -3.37 115.31 115.78 1wbe h LEU 30 Ca 0.00 -0.81 0.26 0.00 0.09 0.00 0.00 57.88 57.42 1wbe h LEU 30 Cb 0.05 -0.10 -0.13 0.00 0.09 0.00 0.00 40.66 40.58 1wbe h LEU 30 CO 0.00 1.66 0.60 -0.65 0.09 0.00 0.00 178.44 180.13 1wbe h PRO 31 N -0.36 0.53 -0.11 1.13 0.11 -1.74 -0.94 132.00 130.62 1wbe h PRO 31 Ca -0.35 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.76 1wbe h PRO 31 Cb 1.73 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.72 1wbe h PRO 31 CO 0.01 0.35 0.17 -1.35 -0.21 0.00 0.00 178.00 176.96 1wbe h PRO 32 N 0.54 0.00 0.00 1.05 0.11 -1.82 -0.98 132.00 130.90 1wbe h PRO 32 Ca 0.66 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.72 1wbe h PRO 32 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1wbe h PRO 32 CO -0.49 0.00 -0.23 0.74 -0.21 0.00 0.00 178.00 177.81 1wbe h PHE 33 N 0.00 0.00 0.00 0.65 0.04 -1.36 -1.64 116.94 114.63 1wbe h PHE 33 Ca 0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1wbe h PHE 33 Cb 0.39 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.54 1wbe h PHE 33 CO 0.00 0.23 0.00 1.19 -0.60 0.00 0.00 178.31 179.13 1wbe n PHE 34 N -3.40 0.54 0.33 -0.55 3.72 -0.37 -2.93 117.46 114.80 1wbe n PHE 34 Ca 0.00 0.21 0.09 0.00 -0.05 0.00 0.00 57.45 57.70 1wbe n PHE 34 Cb 0.43 -0.84 0.14 0.00 -0.94 0.00 0.00 39.48 38.27 1wbe n PHE 34 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1wbe n ASP 35 N -1.99 2.86 0.20 4.37 8.00 -0.62 -0.48 116.55 128.88 1wbe n ASP 35 Ca 0.02 -1.84 0.14 0.00 0.71 0.00 0.00 54.79 53.83 1wbe n ASP 35 Cb 0.21 -0.14 0.68 0.00 -0.02 0.00 0.00 41.12 41.84 1wbe n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wbe n LEU 37 N -2.49 4.33 0.00 0.00 4.77 -1.26 -4.84 117.00 117.52 1wbe n LEU 37 Ca -0.00 -2.48 0.00 0.00 -0.03 0.00 0.00 56.01 53.50 1wbe n LEU 37 Cb 0.13 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1wbe n LEU 37 CO 0.16 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 1wbe n GLY 38 N 0.74 1.49 3.69 -0.72 0.00 -0.93 -4.91 105.19 104.56 1wbe n GLY 38 Ca 0.23 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1wbe n GLY 38 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wbe s SER 39 N -4.00 6.54 0.48 1.61 0.15 -1.26 -4.87 113.70 112.35 1wbe s SER 39 Ca 0.00 2.59 -0.23 0.00 0.70 0.00 0.00 55.95 59.01 1wbe s SER 39 Cb 0.00 -2.57 -0.08 0.00 -1.71 0.00 0.00 66.02 61.66 1wbe s SER 39 CO 0.00 -0.91 1.19 -2.65 1.20 0.00 0.00 173.24 172.07 1wbe n PRO 40 N 5.36 1.60 -4.23 5.44 -0.02 -1.26 -4.85 135.00 137.04 1wbe n PRO 40 Ca 0.16 0.58 -0.25 0.00 -2.02 0.00 0.00 63.50 61.97 1wbe n PRO 40 Cb 0.39 -2.33 -0.08 0.00 -0.02 0.00 0.00 33.50 31.46 1wbe n PRO 40 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1wbe s VAL 41 N -1.29 3.62 -1.46 -1.45 -7.23 0.36 -4.71 120.40 108.25 1wbe s VAL 41 Ca 0.66 -1.57 -0.02 0.00 -1.81 0.00 0.00 61.98 59.25 1wbe s VAL 41 Cb -0.48 -2.85 0.01 0.00 0.56 0.00 0.00 36.38 33.62 1wbe s VAL 41 CO 0.54 -0.19 0.37 0.49 -0.31 0.00 0.00 175.10 176.00 1wbe n PHE 42 N -0.34 -1.58 -0.23 2.82 3.72 -1.26 -4.78 117.46 115.81 1wbe n PHE 42 Ca -0.09 0.73 0.03 0.00 -0.05 0.00 0.00 57.45 58.07 1wbe n PHE 42 Cb 0.56 -3.51 0.27 0.00 -0.94 0.00 0.00 39.48 35.86 1wbe n PHE 42 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1wbe h THR 43 N -1.80 1.11 0.00 4.37 1.35 -1.95 -1.27 112.91 114.72 1wbe h THR 43 Ca -0.63 -0.33 -0.03 0.00 -0.55 0.00 0.00 66.41 64.87 1wbe h THR 43 Cb 1.38 0.07 -0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1wbe h THR 43 CO 0.65 0.17 -0.16 -0.65 -0.25 0.00 0.00 175.52 175.28 1wbe h PRO 44 N 0.95 0.00 0.10 4.72 0.11 -1.94 0.65 132.00 136.59 1wbe h PRO 44 Ca 0.32 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.29 1wbe h PRO 44 Cb 0.08 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.21 1wbe h PRO 44 CO -0.10 0.16 -0.59 0.82 -0.21 0.00 0.00 178.00 178.08 1wbe h ILE 45 N 0.00 1.59 -0.35 4.15 2.04 -1.63 -2.76 117.51 120.55 1wbe h ILE 45 Ca -0.00 -2.47 0.07 0.00 1.00 0.00 0.00 64.86 63.46 1wbe h ILE 45 Cb 0.34 3.24 -0.07 0.00 -0.74 0.00 0.00 36.82 39.59 1wbe h ILE 45 CO 0.02 0.69 -0.09 0.50 0.00 0.00 0.00 178.15 179.26 1wbe h LYS 46 N -0.53 -0.01 -0.72 2.37 3.64 -1.12 -2.14 116.57 118.06 1wbe h LYS 46 Ca -0.10 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.25 1wbe h LYS 46 Cb 1.46 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.25 1wbe h LYS 46 CO 0.11 -0.01 0.33 0.00 -2.27 0.00 0.00 179.45 177.61 1wbe h ALA 47 N 1.33 0.93 -0.43 5.00 0.00 -0.91 -0.95 119.26 124.24 1wbe h ALA 47 Ca 0.17 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1wbe h ALA 47 Cb 0.27 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1wbe h ALA 47 CO -0.37 0.51 -0.14 -0.44 0.00 0.00 0.00 179.25 178.82 1wbe h ASP 48 N 1.02 0.86 0.07 0.00 3.32 -1.31 -1.17 116.42 119.21 1wbe h ASP 48 Ca 0.25 -0.38 0.01 0.00 0.02 0.00 0.00 57.03 56.93 1wbe h ASP 48 Cb 0.15 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1wbe h ASP 48 CO -0.03 1.04 -0.12 0.40 -1.72 0.00 0.00 179.24 178.81 1wbe h ILE 49 N 0.68 0.71 -0.66 0.35 2.04 -1.10 -1.12 117.51 118.40 1wbe h ILE 49 Ca 0.10 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 1wbe h ILE 49 Cb 0.69 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 1wbe h ILE 49 CO 0.05 0.00 0.39 0.28 0.00 0.00 0.00 178.15 178.87 1wbe h SER 50 N -0.25 0.81 -0.55 1.72 0.02 -1.05 -0.93 113.55 113.33 1wbe h SER 50 Ca 0.02 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.82 1wbe h SER 50 Cb 0.26 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1wbe h SER 50 CO -0.07 0.64 0.03 1.23 -1.14 0.00 0.00 176.83 177.52 1wbe h GLY 51 N 0.90 1.02 1.38 -3.77 0.00 -1.13 -2.05 103.07 99.43 1wbe h GLY 51 Ca 0.24 -0.73 -0.17 0.00 0.00 0.00 0.00 47.33 46.67 1wbe h GLY 51 CO -0.04 0.67 -0.55 3.43 0.00 0.00 0.00 176.54 180.05 1wbe h ASN 52 N 0.83 0.72 -0.35 0.19 2.35 -0.89 -2.44 115.58 115.98 1wbe h ASN 52 Ca 0.16 -0.39 0.04 0.00 -0.55 0.00 0.00 56.30 55.56 1wbe h ASN 52 Cb 0.50 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.62 1wbe h ASN 52 CO 0.02 1.12 0.14 0.40 -1.65 0.00 0.00 177.43 177.46 1wbe h ILE 53 N 0.49 0.92 -0.79 2.81 2.04 -1.03 -1.62 117.51 120.34 1wbe h ILE 53 Ca 0.01 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 65.80 1wbe h ILE 53 Cb 1.12 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.75 1wbe h ILE 53 CO 0.11 0.05 0.50 0.74 0.00 0.00 0.00 178.15 179.55 1wbe h THR 54 N 0.29 1.11 -0.43 -0.27 2.02 -1.25 0.65 112.91 115.03 1wbe h THR 54 Ca 0.16 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 66.95 1wbe h THR 54 Cb 0.11 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.56 1wbe h THR 54 CO -0.15 0.18 0.07 0.11 0.37 0.00 0.00 175.52 176.10 1wbe h LYS 55 N 0.97 0.71 -0.37 6.66 1.57 -0.99 -1.04 116.57 124.09 1wbe h LYS 55 Ca 0.32 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1wbe h LYS 55 Cb 0.03 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1wbe h LYS 55 CO -0.12 0.75 -0.06 0.82 -0.57 0.00 0.00 179.45 180.27 1wbe h ILE 56 N 0.57 1.27 -0.78 1.86 2.04 -0.95 -2.85 117.51 118.67 1wbe h ILE 56 Ca 0.13 -1.11 -0.00 0.00 1.00 0.00 0.00 64.86 64.88 1wbe h ILE 56 Cb 0.38 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 1wbe h ILE 56 CO 0.01 0.37 0.48 0.50 0.00 0.00 0.00 178.15 179.50 1wbe h LYS 57 N 0.50 1.05 -0.56 2.37 3.64 -0.72 -0.71 116.57 122.13 1wbe h LYS 57 Ca 0.10 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1wbe h LYS 57 Cb 0.55 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1wbe h LYS 57 CO 0.03 0.73 0.33 0.00 -2.27 0.00 0.00 179.45 178.27 1wbe h ALA 58 N 1.46 0.72 -0.09 5.00 0.00 -1.04 -0.05 119.26 125.25 1wbe h ALA 58 Ca 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1wbe h ALA 58 Cb -0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1wbe h ALA 58 CO -0.05 0.21 0.01 0.28 0.00 0.00 0.00 179.25 179.69 1wbe h VAL 59 N 0.76 1.23 -0.52 0.00 2.07 -1.21 -3.23 116.25 115.35 1wbe h VAL 59 Ca 0.20 -0.72 0.07 0.00 0.82 0.00 0.00 66.70 67.07 1wbe h VAL 59 Cb -0.00 1.55 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 1wbe h VAL 59 CO -0.04 0.20 0.18 0.22 0.02 0.00 0.00 177.57 178.16 1wbe h TYR 60 N -0.11 0.32 0.00 1.57 3.20 -0.97 -2.50 116.97 118.48 1wbe h TYR 60 Ca 0.03 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1wbe h TYR 60 Cb 0.31 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.52 1wbe h TYR 60 CO 0.02 0.09 -0.04 -0.44 -1.64 0.00 0.00 178.16 176.16 1wbe h ASP 61 N 0.36 0.00 0.61 -2.11 3.32 -1.02 -1.34 116.42 116.23 1wbe h ASP 61 Ca 0.25 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.22 1wbe h ASP 61 Cb 0.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1wbe h ASP 61 CO -0.26 0.04 -0.39 0.71 -1.72 0.00 0.00 179.24 177.61 1wbe h THR 62 N 0.00 1.07 -0.39 0.35 1.35 -1.47 -3.40 112.91 110.42 1wbe h THR 62 Ca -0.00 -1.46 -0.15 0.00 -0.55 0.00 0.00 66.41 64.25 1wbe h THR 62 Cb 0.18 1.84 -0.15 0.00 -1.73 0.00 0.00 68.15 68.29 1wbe h THR 62 CO 0.00 0.39 -0.40 -3.20 -0.25 0.00 0.00 175.52 172.06 1wbe n ASN 63 N -3.76 -2.77 -0.12 5.36 2.85 -0.57 -5.03 115.26 111.23 1wbe n ASN 63 Ca -0.01 -2.73 0.15 0.00 -0.11 0.00 0.00 54.58 51.88 1wbe n ASN 63 Cb 0.47 1.56 0.54 0.00 1.24 0.00 0.00 39.78 43.59 1wbe n ASN 63 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1wbe h PRO 64 N 4.29 0.33 -0.11 1.20 0.11 -1.61 -1.43 132.00 134.78 1wbe h PRO 64 Ca -0.07 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.90 1wbe h PRO 64 Cb 1.09 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1wbe h PRO 64 CO 0.10 0.22 -0.42 1.15 -0.21 0.00 0.00 178.00 178.84 1wbe h THR 65 N 0.34 1.38 -0.75 -1.15 2.02 -1.96 -1.48 112.91 111.30 1wbe h THR 65 Ca 0.33 -1.75 0.07 0.00 0.77 0.00 0.00 66.41 65.83 1wbe h THR 65 Cb 0.81 2.17 -0.05 0.00 -1.74 0.00 0.00 68.15 69.34 1wbe h THR 65 CO -0.09 0.52 0.49 0.50 0.37 0.00 0.00 175.52 177.32 1wbe h LYS 66 N 0.06 0.74 -0.76 6.66 3.64 -1.79 -2.83 116.57 122.28 1wbe h LYS 66 Ca -0.02 -0.04 -0.51 0.00 -1.27 0.00 0.00 60.65 58.80 1wbe h LYS 66 Cb 1.05 -0.17 -0.31 0.00 -0.41 0.00 0.00 32.23 32.40 1wbe h LYS 66 CO 0.09 0.49 -0.03 1.19 -2.27 0.00 0.00 179.45 178.91 1wbe n PHE 67 N -4.49 2.56 -0.17 1.91 3.72 -0.60 -4.65 117.46 115.75 1wbe n PHE 67 Ca 0.12 -2.35 -0.03 0.00 -0.05 0.00 0.00 57.45 55.13 1wbe n PHE 67 Cb 0.25 -0.77 0.17 0.00 -0.94 0.00 0.00 39.48 38.19 1wbe n PHE 67 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1wbe h ARG 68 N 1.82 0.92 -6.10 -1.08 2.43 -1.01 -3.41 114.38 107.95 1wbe h ARG 68 Ca 0.43 -0.17 -0.60 0.00 -0.81 0.00 0.00 59.98 58.83 1wbe h ARG 68 Cb 1.37 -0.15 -0.13 0.00 -0.42 0.00 0.00 29.97 30.65 1wbe h ARG 68 CO 0.97 0.78 -0.69 0.95 -1.51 0.00 0.00 179.97 180.48 1wbe s THR 69 N -5.35 2.60 0.32 0.20 -4.23 -1.26 -0.34 115.64 107.58 1wbe s THR 69 Ca -0.10 -2.19 0.00 0.00 -1.18 0.00 0.00 61.69 58.22 1wbe s THR 69 Cb 0.16 -2.57 0.22 0.00 1.34 0.00 0.00 72.50 71.65 1wbe s THR 69 CO 0.81 -0.30 1.93 -0.07 -0.54 0.00 0.00 174.62 176.45 1wbe h LEU 70 N 2.05 0.77 -0.98 4.79 3.38 -1.28 -1.92 115.31 122.11 1wbe h LEU 70 Ca -0.42 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.44 1wbe h LEU 70 Cb 1.25 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 1wbe h LEU 70 CO 0.64 0.63 0.22 -0.61 0.09 0.00 0.00 178.44 179.42 1wbe h GLN 71 N 0.86 0.96 -0.95 1.13 4.15 -1.96 -2.20 115.11 117.10 1wbe h GLN 71 Ca 0.22 -0.18 0.03 0.00 0.77 0.00 0.00 58.65 59.50 1wbe h GLN 71 Cb 0.05 -0.16 -0.06 0.00 0.21 0.00 0.00 27.48 27.53 1wbe h GLN 71 CO -0.03 0.81 0.62 -0.91 -1.93 0.00 0.00 178.83 177.39 1wbe h ASN 72 N 0.94 1.04 -0.30 -0.69 -0.26 -1.69 -0.81 115.58 113.81 1wbe h ASN 72 Ca 0.21 -0.01 0.05 0.00 -0.56 0.00 0.00 56.30 56.00 1wbe h ASN 72 Cb 0.23 -0.24 -0.05 0.00 -1.06 0.00 0.00 38.32 37.21 1wbe h ASN 72 CO -0.01 0.71 -0.01 0.40 -1.06 0.00 0.00 177.43 177.47 1wbe h ILE 73 N 1.21 0.78 -0.42 2.81 2.04 -0.97 0.05 117.51 123.01 1wbe h ILE 73 Ca 0.38 -0.03 -0.08 0.00 1.00 0.00 0.00 64.86 66.13 1wbe h ILE 73 Cb -0.00 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1wbe h ILE 73 CO -0.12 0.01 -0.06 -0.07 0.00 0.00 0.00 178.15 177.91 1wbe h LEU 74 N 0.08 0.78 0.11 1.44 4.07 -1.21 -0.91 115.31 119.67 1wbe h LEU 74 Ca 0.14 -0.34 -0.01 0.00 0.08 0.00 0.00 57.88 57.75 1wbe h LEU 74 Cb 0.19 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.72 1wbe h LEU 74 CO -0.24 0.94 -0.05 -0.33 -1.08 0.00 0.00 178.44 177.67 1wbe h GLU 75 N 0.61 -0.14 -0.21 1.13 5.08 -0.95 -0.92 114.58 119.17 1wbe h GLU 75 Ca 0.11 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1wbe h GLU 75 Cb 0.58 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1wbe h GLU 75 CO 0.03 -0.07 0.05 0.28 -1.00 0.00 0.00 179.01 178.30 1wbe h VAL 76 N -0.17 1.21 -0.15 3.13 2.07 -0.92 -2.19 116.25 119.23 1wbe h VAL 76 Ca -0.01 -0.68 -0.11 0.00 0.82 0.00 0.00 66.70 66.72 1wbe h VAL 76 Cb 0.13 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1wbe h VAL 76 CO 0.02 0.21 -0.38 -0.33 0.02 0.00 0.00 177.57 177.12 1wbe h GLU 77 N 0.16 0.32 -0.43 1.57 5.08 -1.18 0.36 114.58 120.47 1wbe h GLU 77 Ca 0.07 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1wbe h GLU 77 Cb 0.28 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1wbe h GLU 77 CO 0.00 0.66 0.28 -0.22 -1.00 0.00 0.00 179.01 178.73 1wbe h LYS 78 N 0.27 0.55 -0.30 2.33 3.64 -1.01 0.02 116.57 122.07 1wbe h LYS 78 Ca 0.03 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1wbe h LYS 78 Cb 0.80 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 1wbe h LYS 78 CO 0.06 0.36 -0.03 1.49 -2.27 0.00 0.00 179.45 179.06 1wbe h GLU 79 N 0.56 0.54 -0.68 1.90 4.22 -1.03 -2.15 114.58 117.94 1wbe h GLU 79 Ca 0.16 -0.19 -0.02 0.00 0.08 0.00 0.00 59.36 59.40 1wbe h GLU 79 Cb -0.04 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1wbe h GLU 79 CO -0.05 0.71 0.36 1.98 -2.18 0.00 0.00 179.01 179.83 1wbe h MET 80 N 0.32 0.95 -0.00 1.92 4.05 -0.71 -3.32 114.93 118.13 1wbe h MET 80 Ca 0.08 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1wbe h MET 80 Cb 0.49 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.10 1wbe h MET 80 CO 0.02 0.73 -0.57 0.66 0.23 0.00 0.00 176.91 177.97 1wbe n TYR 81 N -4.50 0.00 -1.90 1.39 4.01 -0.03 -5.05 117.16 111.09 1wbe n TYR 81 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1wbe n TYR 81 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 1wbe n TYR 81 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wbe n GLY 82 N 1.28 3.18 0.27 2.72 0.00 -0.81 -2.87 105.19 108.96 1wbe n GLY 82 Ca 0.04 -0.20 0.18 0.00 0.00 0.00 0.00 46.02 46.04 1wbe n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wbe h ALA 83 N -0.87 1.00 -0.09 4.61 0.00 -1.97 -1.45 119.26 120.48 1wbe h ALA 83 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1wbe h ALA 83 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1wbe h ALA 83 CO 0.00 0.00 -0.47 1.49 0.00 0.00 0.00 179.25 180.27 1wbe h GLU 84 N 0.00 0.23 -6.96 0.00 4.81 -1.93 -3.44 114.58 107.29 1wbe h GLU 84 Ca 0.00 -0.12 -0.53 0.00 -0.13 0.00 0.00 59.36 58.58 1wbe h GLU 84 Cb 0.25 0.01 0.09 0.00 0.63 0.00 0.00 28.75 29.73 1wbe h GLU 84 CO 0.00 0.65 0.62 -0.46 -0.73 0.00 0.00 179.01 179.09 1wbe s TRP 85 N -4.02 2.76 -1.74 0.92 -0.00 -0.55 -1.75 118.94 114.56 1wbe s TRP 85 Ca -0.04 1.39 0.16 0.00 -0.00 0.00 0.00 56.10 57.61 1wbe s TRP 85 Cb 0.13 -3.70 0.51 0.00 -0.00 0.00 0.00 33.47 30.42 1wbe s TRP 85 CO 0.78 -2.20 1.41 -0.35 -0.00 0.00 0.00 176.95 176.59 1wbe n PRO 86 N 0.03 2.56 -1.41 5.86 -0.04 -1.26 -4.98 135.00 135.76 1wbe n PRO 86 Ca 0.04 -2.06 -0.29 0.00 -0.04 0.00 0.00 63.50 61.16 1wbe n PRO 86 Cb 0.44 -1.54 -0.07 0.00 -0.04 0.00 0.00 33.50 32.28 1wbe n PRO 86 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1wbe n LYS 87 N 1.02 3.11 -3.69 0.54 4.81 -0.72 -3.67 118.16 119.56 1wbe n LYS 87 Ca 0.19 -2.16 -0.14 0.00 -0.87 0.00 0.00 58.31 55.32 1wbe n LYS 87 Cb 0.55 -2.38 -0.08 0.00 0.02 0.00 0.00 35.03 33.15 1wbe n LYS 87 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1wbe s VAL 88 N 0.06 0.04 0.00 3.15 0.11 -1.26 -4.97 120.40 117.54 1wbe s VAL 88 Ca 0.63 -0.37 0.00 0.00 -2.93 0.00 0.00 61.98 59.31 1wbe s VAL 88 Cb 0.27 -0.78 0.00 0.00 -1.53 0.00 0.00 36.38 34.34 1wbe s VAL 88 CO -0.09 -0.20 0.00 0.61 -3.33 0.00 0.00 175.10 172.09 1wbe n GLY 89 N 1.01 1.62 0.20 6.54 0.00 -1.26 -1.29 105.19 112.01 1wbe n GLY 89 Ca -0.20 -0.51 0.07 0.00 0.00 0.00 0.00 46.02 45.39 1wbe n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wbe h ALA 90 N -0.81 1.01 -0.70 4.61 0.00 -1.94 -2.31 119.26 119.10 1wbe h ALA 90 Ca 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.64 1wbe h ALA 90 Cb 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1wbe h ALA 90 CO 0.00 0.39 0.47 1.15 0.00 0.00 0.00 179.25 181.25 1wbe h THR 91 N 0.00 1.18 -0.27 0.00 2.02 -1.83 0.12 112.91 114.14 1wbe h THR 91 Ca -0.00 -0.33 -0.17 0.00 0.77 0.00 0.00 66.41 66.67 1wbe h THR 91 Cb 0.83 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1wbe h THR 91 CO 0.04 0.17 -0.51 0.25 0.37 0.00 0.00 175.52 175.84 1wbe h LEU 92 N 0.96 0.92 -0.71 2.58 5.85 -0.93 -1.35 115.31 122.62 1wbe h LEU 92 Ca 0.26 -0.54 0.01 0.00 0.84 0.00 0.00 57.88 58.45 1wbe h LEU 92 Cb -0.11 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.62 1wbe h LEU 92 CO -0.06 1.28 0.47 0.00 -0.34 0.00 0.00 178.44 179.79 1wbe h ALA 93 N 0.66 0.90 0.00 1.25 0.00 -1.12 -2.08 119.26 118.87 1wbe h ALA 93 Ca 0.01 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1wbe h ALA 93 Cb 1.12 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1wbe h ALA 93 CO 0.11 0.31 -0.40 1.25 0.00 0.00 0.00 179.25 180.53 1wbe h LEU 94 N 0.95 0.00 -0.94 0.00 5.85 -0.73 0.30 115.31 120.75 1wbe h LEU 94 Ca 0.26 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.95 1wbe h LEU 94 Cb -0.10 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 1wbe h LEU 94 CO -0.06 0.40 0.32 -0.03 -0.34 0.00 0.00 178.44 178.73 1wbe h MET 95 N 0.00 1.09 0.21 1.25 4.05 -0.57 -0.75 114.93 120.21 1wbe h MET 95 Ca -0.00 -0.17 -0.32 0.00 -0.28 0.00 0.00 59.70 58.92 1wbe h MET 95 Cb 0.88 -0.19 0.02 0.00 -0.80 0.00 0.00 31.60 31.52 1wbe h MET 95 CO 0.05 0.87 -1.46 -1.49 0.23 0.00 0.00 176.91 175.11 1wbe h TRP 96 N 1.08 0.81 -0.63 1.39 4.06 -1.26 -3.33 115.95 118.07 1wbe h TRP 96 Ca 0.25 -0.59 0.08 0.00 2.06 0.00 0.00 58.89 60.70 1wbe h TRP 96 Cb 0.16 -0.03 -0.06 0.00 -1.00 0.00 0.00 29.16 28.23 1wbe h TRP 96 CO 0.02 1.50 0.28 1.25 -3.56 0.00 0.00 178.44 177.93 1wbe h LEU 97 N 0.12 0.35 -1.93 -4.49 5.85 -0.69 -1.90 115.31 112.63 1wbe h LEU 97 Ca -0.24 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 1wbe h LEU 97 Cb 2.11 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 43.14 1wbe h LEU 97 CO 0.24 0.22 -0.08 0.07 -0.34 0.00 0.00 178.44 178.55 1wbe h LYS 98 N 0.51 0.00 -0.12 1.25 2.10 -1.25 0.10 116.57 119.16 1wbe h LYS 98 Ca 0.30 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.73 1wbe h LYS 98 Cb 0.31 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.65 1wbe h LYS 98 CO -0.26 0.08 -0.81 0.00 -2.00 0.00 0.00 179.45 176.46 1wbe h ARG 99 N 0.00 0.74 -0.57 0.07 3.08 -1.46 0.69 114.38 116.92 1wbe h ARG 99 Ca -0.00 -0.63 -0.09 0.00 0.07 0.00 0.00 59.98 59.34 1wbe h ARG 99 Cb 0.15 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1wbe h ARG 99 CO 0.01 1.23 0.02 0.78 -1.07 0.00 0.00 179.97 180.94 1wbe h GLY 100 N 0.63 1.05 1.11 0.04 0.00 -0.91 -1.05 103.07 103.95 1wbe h GLY 100 Ca -0.06 -0.73 -0.09 0.00 0.00 0.00 0.00 47.33 46.44 1wbe h GLY 100 CO 0.16 0.68 0.02 1.41 0.00 0.00 0.00 176.54 178.81 1wbe h LEU 101 N 0.90 1.04 -0.84 3.11 3.38 -0.89 -2.22 115.31 119.78 1wbe h LEU 101 Ca 0.17 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 1wbe h LEU 101 Cb 0.50 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1wbe h LEU 101 CO 0.02 1.07 0.00 -0.09 0.09 0.00 0.00 178.44 179.54 1wbe h ARG 102 N 0.97 0.86 -0.07 1.13 9.65 -0.66 -0.48 114.38 125.80 1wbe h ARG 102 Ca 0.18 -0.24 0.03 0.00 -1.10 0.00 0.00 59.98 58.85 1wbe h ARG 102 Cb 0.53 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 28.98 1wbe h ARG 102 CO 0.03 0.86 -0.14 0.35 2.80 0.00 0.00 179.97 183.87 1wbe h PHE 103 N 0.80 -0.35 -0.30 2.20 3.57 -0.79 0.26 116.94 122.33 1wbe h PHE 103 Ca 0.15 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.69 1wbe h PHE 103 Cb 0.48 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 1wbe h PHE 103 CO 0.03 -0.20 0.15 0.82 -2.23 0.00 0.00 178.31 176.87 1wbe h ILE 104 N -0.20 0.99 0.06 1.41 2.04 -0.96 -0.57 117.51 120.29 1wbe h ILE 104 Ca 0.07 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.84 1wbe h ILE 104 Cb 0.30 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1wbe h ILE 104 CO -0.18 0.06 -0.23 -0.61 0.00 0.00 0.00 178.15 177.19 1wbe h GLN 105 N 0.32 -0.38 -0.67 2.37 4.15 -0.70 -0.58 115.11 119.62 1wbe h GLN 105 Ca 0.12 0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.49 1wbe h GLN 105 Cb 0.04 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 1wbe h GLN 105 CO -0.08 -0.25 0.10 0.28 -1.93 0.00 0.00 178.83 176.95 1wbe h VAL 106 N -0.39 1.26 0.41 2.39 2.07 -0.86 -0.16 116.25 120.98 1wbe h VAL 106 Ca 0.04 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 1wbe h VAL 106 Cb 0.44 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1wbe h VAL 106 CO -0.16 0.39 -0.20 0.15 0.02 0.00 0.00 177.57 177.77 1wbe h PHE 107 N 1.04 -0.51 -0.58 1.57 3.57 -0.90 0.01 116.94 121.13 1wbe h PHE 107 Ca 0.20 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 1wbe h PHE 107 Cb 0.45 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 1wbe h PHE 107 CO 0.03 -0.30 0.27 -0.07 -2.23 0.00 0.00 178.31 176.01 1wbe h LEU 108 N -0.58 0.76 -0.72 0.59 3.38 -1.05 -1.92 115.31 115.77 1wbe h LEU 108 Ca -0.06 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1wbe h LEU 108 Cb 0.44 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1wbe h LEU 108 CO 0.09 0.68 0.33 -0.61 0.09 0.00 0.00 178.44 179.02 1wbe h GLN 109 N 0.79 1.05 -0.59 1.13 5.75 -0.87 -0.52 115.11 121.85 1wbe h GLN 109 Ca 0.20 -0.17 0.01 0.00 -0.15 0.00 0.00 58.65 58.54 1wbe h GLN 109 Cb 0.13 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 1wbe h GLN 109 CO -0.02 0.84 0.38 1.03 -2.65 0.00 0.00 178.83 178.41 1wbe h SER 110 N 1.02 0.65 -0.36 -0.69 0.87 -0.71 -0.11 113.55 114.23 1wbe h SER 110 Ca 0.24 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.76 1wbe h SER 110 Cb 0.15 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1wbe h SER 110 CO -0.03 0.47 0.09 0.40 -0.53 0.00 0.00 176.83 177.23 1wbe h ILE 111 N 0.78 1.22 -0.28 2.23 1.08 -1.05 -2.15 117.51 119.35 1wbe h ILE 111 Ca 0.22 -0.75 -0.04 0.00 -0.39 0.00 0.00 64.86 63.91 1wbe h ILE 111 Cb -0.06 1.02 -0.02 0.00 -3.07 0.00 0.00 36.82 34.70 1wbe h ILE 111 CO -0.06 0.26 0.01 0.00 -0.69 0.00 0.00 178.15 177.67 1wbe n ASP 113 N -4.33 0.05 -0.24 0.00 8.00 -0.08 -4.91 116.55 115.05 1wbe n ASP 113 Ca 0.01 -1.15 -0.03 0.00 0.71 0.00 0.00 54.79 54.33 1wbe n ASP 113 Cb 0.21 -0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.29 1wbe n ASP 113 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wbe n GLY 114 N 0.94 0.62 3.73 0.44 0.00 -0.55 -4.99 105.19 105.37 1wbe n GLY 114 Ca 0.21 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 1wbe n GLY 114 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wbe s GLU 115 N -1.75 4.39 0.15 1.61 2.02 -0.83 -4.99 118.70 119.31 1wbe s GLU 115 Ca 0.00 1.98 -0.24 0.00 0.02 0.00 0.00 54.97 56.72 1wbe s GLU 115 Cb 0.00 -3.25 0.06 0.00 0.10 0.00 0.00 34.13 31.04 1wbe s GLU 115 CO 0.00 -0.28 0.75 -0.98 0.02 0.00 0.00 175.26 174.77 1wbe s ARG 116 N 0.48 1.30 -0.28 1.61 1.70 -1.26 -4.70 118.95 117.80 1wbe s ARG 116 Ca 0.59 -0.60 -0.21 0.00 -0.47 0.00 0.00 55.73 55.04 1wbe s ARG 116 Cb -0.35 0.52 -0.01 0.00 -0.57 0.00 0.00 34.95 34.54 1wbe s ARG 116 CO 0.34 -0.58 0.68 0.34 -1.08 0.00 0.00 175.30 174.99 1wbe s ASP 117 N -2.77 6.59 0.63 -2.89 -1.08 -1.26 -4.96 116.67 110.92 1wbe s ASP 117 Ca 0.06 0.63 0.40 0.00 -0.52 0.00 0.00 52.55 53.12 1wbe s ASP 117 Cb -0.02 -2.36 2.10 0.00 -1.46 0.00 0.00 42.92 41.18 1wbe s ASP 117 CO -0.05 -0.47 2.27 -0.33 0.52 0.00 0.00 175.17 177.11 1wbe h GLU 118 N 8.02 0.00 0.00 4.34 4.39 -1.99 -0.32 114.58 129.02 1wbe h GLU 118 Ca -0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1wbe h GLU 118 Cb 1.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1wbe h GLU 118 CO 0.81 0.01 0.00 -0.91 -1.16 0.00 0.00 179.01 177.76 1wbe h ASN 119 N 0.00 0.00 -2.04 1.42 2.35 -2.05 -3.37 115.58 111.90 1wbe h ASN 119 Ca -0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.24 1wbe h ASN 119 Cb 0.13 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.10 1wbe h ASN 119 CO 0.00 0.00 -1.11 1.41 -1.65 0.00 0.00 177.43 176.08 1wbe n HIS 120 N -2.86 0.60 0.30 1.19 8.25 -0.16 -4.97 115.22 117.57 1wbe n HIS 120 Ca 0.03 -3.81 0.19 0.00 -0.26 0.00 0.00 57.72 53.88 1wbe n HIS 120 Cb 0.43 -0.42 0.91 0.00 1.12 0.00 0.00 29.99 32.03 1wbe n HIS 120 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1wbe h PRO 121 N 3.18 0.00 -0.66 -0.41 0.13 -1.65 -2.21 132.00 130.38 1wbe h PRO 121 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1wbe h PRO 121 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1wbe h PRO 121 CO 0.54 0.01 0.00 -1.71 -0.23 0.00 0.00 178.00 176.61 1wbe n ASN 122 N -3.14 4.24 -4.98 1.44 5.15 -1.26 -4.90 115.26 111.81 1wbe n ASN 122 Ca -0.01 -2.22 -0.19 0.00 -0.60 0.00 0.00 54.58 51.56 1wbe n ASN 122 Cb 0.20 -0.51 -0.01 0.00 -0.53 0.00 0.00 39.78 38.93 1wbe n ASN 122 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1wbe s LEU 123 N -1.41 3.99 -0.12 1.20 1.43 -0.83 -0.23 118.68 122.71 1wbe s LEU 123 Ca 0.48 -0.18 0.16 0.00 -1.03 0.00 0.00 54.13 53.56 1wbe s LEU 123 Cb 0.28 -2.73 0.26 0.00 0.03 0.00 0.00 46.19 44.04 1wbe s LEU 123 CO 0.28 -0.38 1.14 2.30 0.23 0.00 0.00 176.35 179.91 1wbe n ILE 124 N -1.59 1.64 -0.19 -0.59 -5.35 -1.26 -4.58 119.36 107.44 1wbe n ILE 124 Ca -0.01 -2.04 -0.08 0.00 -0.27 0.00 0.00 62.75 60.36 1wbe n ILE 124 Cb 0.58 -0.13 0.02 0.00 -1.74 0.00 0.00 39.64 38.38 1wbe n ILE 124 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 1wbe h ARG 125 N 0.10 0.80 -0.44 6.28 3.08 -1.91 -0.99 114.38 121.30 1wbe h ARG 125 Ca -0.00 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 1wbe h ARG 125 Cb 1.06 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 1wbe h ARG 125 CO 0.00 0.68 0.11 -0.39 -1.07 0.00 0.00 179.97 179.29 1wbe h VAL 126 N 0.74 1.20 -0.21 2.04 -1.51 -1.96 0.06 116.25 116.61 1wbe h VAL 126 Ca 0.19 -0.70 -0.15 0.00 -1.23 0.00 0.00 66.70 64.80 1wbe h VAL 126 Cb 0.15 0.75 0.00 0.00 -2.13 0.00 0.00 31.29 30.06 1wbe h VAL 126 CO -0.02 0.26 -0.48 0.78 -1.23 0.00 0.00 177.57 176.88 1wbe h ASN 127 N 0.65 0.77 -0.29 4.19 4.21 -1.82 -1.54 115.58 121.76 1wbe h ASN 127 Ca 0.15 -0.56 -0.13 0.00 1.21 0.00 0.00 56.30 56.97 1wbe h ASN 127 Cb 0.25 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.21 1wbe h ASN 127 CO -0.00 1.20 -0.27 0.00 -1.29 0.00 0.00 177.43 177.06 1wbe h ALA 128 N 0.60 0.81 -0.36 -0.83 0.00 -0.91 -1.82 119.26 116.75 1wbe h ALA 128 Ca -0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1wbe h ALA 128 Cb 1.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1wbe h ALA 128 CO 0.10 0.65 0.10 1.15 0.00 0.00 0.00 179.25 181.26 1wbe h THR 129 N 0.68 1.21 -0.45 0.00 2.02 -0.94 0.13 112.91 115.55 1wbe h THR 129 Ca 0.08 -0.70 0.02 0.00 0.77 0.00 0.00 66.41 66.58 1wbe h THR 129 Cb 0.81 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 1wbe h THR 129 CO 0.07 0.24 0.26 0.50 0.37 0.00 0.00 175.52 176.96 1wbe h LYS 130 N 0.42 0.50 -0.65 6.66 3.64 -1.20 -0.39 116.57 125.56 1wbe h LYS 130 Ca 0.11 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1wbe h LYS 130 Cb 0.27 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1wbe h LYS 130 CO -0.00 0.33 0.23 0.00 -2.27 0.00 0.00 179.45 177.74 1wbe h ALA 131 N 1.21 0.84 -0.41 5.00 0.00 -1.16 -1.29 119.26 123.45 1wbe h ALA 131 Ca 0.18 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1wbe h ALA 131 Cb 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1wbe h ALA 131 CO -0.09 0.48 0.11 -0.92 0.00 0.00 0.00 179.25 178.83 1wbe h TYR 132 N 0.92 0.68 -0.97 0.00 3.20 -0.55 -1.30 116.97 118.95 1wbe h TYR 132 Ca 0.21 -0.08 0.02 0.00 3.14 0.00 0.00 58.73 62.03 1wbe h TYR 132 Cb 0.24 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.27 1wbe h TYR 132 CO 0.02 0.64 0.64 0.93 -1.64 0.00 0.00 178.16 178.74 1wbe h GLU 133 N 0.52 1.25 0.03 1.82 5.08 -0.88 -0.15 114.58 122.25 1wbe h GLU 133 Ca 0.13 -0.08 -0.22 0.00 -1.00 0.00 0.00 59.36 58.19 1wbe h GLU 133 Cb 0.29 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1wbe h GLU 133 CO -0.00 0.83 -1.05 0.52 -1.00 0.00 0.00 179.01 178.30 1wbe h MET 134 N 1.28 0.07 0.00 2.33 2.86 -0.94 -3.38 114.93 117.14 1wbe h MET 134 Ca 0.37 -0.11 -0.35 0.00 -2.06 0.00 0.00 59.70 57.54 1wbe h MET 134 Cb -0.10 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.54 1wbe h MET 134 CO -0.09 1.05 -2.28 0.00 1.06 0.00 0.00 176.91 176.64 1wbe n ALA 135 N -2.40 1.50 0.00 6.32 0.00 -0.51 -4.91 120.51 120.51 1wbe n ALA 135 Ca -0.02 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.47 1wbe n ALA 135 Cb 0.96 0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.45 1wbe n ALA 135 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wbe n LEU 136 N -3.43 1.25 -0.35 0.00 4.77 -0.30 -4.81 117.00 114.14 1wbe n LEU 136 Ca -0.42 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 55.65 1wbe n LEU 136 Cb 0.89 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 42.23 1wbe n LEU 136 CO 0.16 0.21 1.20 0.50 -1.33 0.00 0.00 177.39 178.13 1wbe h LYS 137 N 0.00 0.86 0.00 3.23 3.64 -1.28 -0.34 116.57 122.69 1wbe h LYS 137 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1wbe h LYS 137 Cb 0.79 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1wbe h LYS 137 CO 0.00 0.57 0.00 -0.22 -2.27 0.00 0.00 179.45 177.53 1wbe h LYS 138 N 0.89 0.00 -0.41 1.90 3.64 -1.85 -2.21 116.57 118.52 1wbe h LYS 138 Ca 0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.89 1wbe h LYS 138 Cb 0.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1wbe h LYS 138 CO -0.30 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.54 1wbe n TYR 139 N -2.56 0.56 -4.92 1.91 4.01 -0.14 -4.85 117.16 111.18 1wbe n TYR 139 Ca -0.01 -0.51 -0.32 0.00 -0.16 0.00 0.00 57.90 56.90 1wbe n TYR 139 Cb 0.12 -0.03 -0.16 0.00 -0.31 0.00 0.00 39.34 38.96 1wbe n TYR 139 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 1wbe s HIS 140 N -1.03 2.64 1.01 -0.72 3.76 -0.83 -1.19 115.29 118.93 1wbe s HIS 140 Ca 0.28 -1.13 -0.17 0.00 -0.15 0.00 0.00 55.06 53.89 1wbe s HIS 140 Cb 0.15 -1.77 0.25 0.00 1.11 0.00 0.00 32.58 32.31 1wbe s HIS 140 CO 0.19 -0.48 0.86 0.41 -0.85 0.00 0.00 174.74 174.87 1wbe n GLY 141 N 3.77 -2.82 0.20 -2.22 0.00 0.19 -4.71 105.19 99.59 1wbe n GLY 141 Ca -0.19 -1.47 -0.06 0.00 0.00 0.00 0.00 46.02 44.30 1wbe n GLY 141 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1wbe h TRP 142 N -2.57 0.49 -0.24 1.61 5.08 -2.00 -1.63 115.95 116.70 1wbe h TRP 142 Ca -0.33 -0.17 -0.06 0.00 1.08 0.00 0.00 58.89 59.42 1wbe h TRP 142 Cb 1.01 -0.10 -0.01 0.00 -3.00 0.00 0.00 29.16 27.07 1wbe h TRP 142 CO 0.00 0.84 -0.06 0.82 -1.28 0.00 0.00 178.44 178.76 1wbe h ILE 143 N 0.31 1.29 -0.44 0.12 2.04 -1.93 -2.81 117.51 116.08 1wbe h ILE 143 Ca 0.01 -1.08 -0.15 0.00 1.00 0.00 0.00 64.86 64.65 1wbe h ILE 143 Cb 1.03 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 1wbe h ILE 143 CO 0.09 0.33 -0.29 0.58 0.00 0.00 0.00 178.15 178.86 1wbe h VAL 144 N 0.21 1.27 -0.96 1.67 2.07 -1.78 -2.40 116.25 116.34 1wbe h VAL 144 Ca 0.06 -1.46 0.14 0.00 0.82 0.00 0.00 66.70 66.26 1wbe h VAL 144 Cb 0.53 1.24 -0.09 0.00 -1.52 0.00 0.00 31.29 31.45 1wbe h VAL 144 CO 0.03 0.50 0.57 1.56 0.02 0.00 0.00 177.57 180.24 1wbe h GLN 145 N 0.81 0.81 -0.73 1.57 4.20 -1.28 -1.30 115.11 119.19 1wbe h GLN 145 Ca 0.09 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 1wbe h GLN 145 Cb 0.88 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 1wbe h GLN 145 CO 0.08 0.53 0.27 0.87 -0.67 0.00 0.00 178.83 179.91 1wbe h LYS 146 N 0.83 1.10 -0.85 1.46 1.57 -1.18 -1.28 116.57 118.21 1wbe h LYS 146 Ca 0.51 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 59.11 1wbe h LYS 146 Cb 0.64 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.72 1wbe h LYS 146 CO -0.32 0.91 0.56 0.82 -0.57 0.00 0.00 179.45 180.84 1wbe h ILE 147 N 1.07 1.17 -0.57 1.86 2.04 -0.91 -2.65 117.51 119.52 1wbe h ILE 147 Ca 0.24 -0.38 -0.10 0.00 1.00 0.00 0.00 64.86 65.62 1wbe h ILE 147 Cb 0.24 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.26 1wbe h ILE 147 CO -0.02 0.20 -0.04 0.15 0.00 0.00 0.00 178.15 178.44 1wbe h PHE 148 N 1.10 1.13 -0.63 1.37 3.57 -0.90 -3.01 116.94 119.58 1wbe h PHE 148 Ca 0.33 -0.21 0.07 0.00 3.53 0.00 0.00 57.97 61.69 1wbe h PHE 148 Cb -0.04 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.37 1wbe h PHE 148 CO -0.02 1.03 0.42 0.37 -2.23 0.00 0.00 178.31 177.88 1wbe h GLN 149 N 0.91 0.58 -0.59 1.11 4.15 -0.95 0.12 115.11 120.44 1wbe h GLN 149 Ca 0.16 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.47 1wbe h GLN 149 Cb 0.60 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 1wbe h GLN 149 CO 0.04 0.39 0.08 0.00 -1.93 0.00 0.00 178.83 177.40 1wbe h ALA 150 N 1.66 1.02 0.00 3.38 0.00 -1.37 -1.01 119.26 122.94 1wbe h ALA 150 Ca 0.28 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1wbe h ALA 150 Cb 0.31 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1wbe h ALA 150 CO -0.08 0.62 -0.36 0.00 0.00 0.00 0.00 179.25 179.43 1wbe h ALA 151 N 1.17 1.21 -0.06 0.00 0.00 -0.91 -2.44 119.26 118.23 1wbe h ALA 151 Ca 0.18 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1wbe h ALA 151 Cb 0.42 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1wbe h ALA 151 CO 0.01 0.45 -0.01 1.25 0.00 0.00 0.00 179.25 180.95 1wbe h LEU 152 N 0.00 0.11 -1.55 0.00 5.85 -0.56 -2.71 115.31 116.45 1wbe h LEU 152 Ca -0.00 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.29 1wbe h LEU 152 Cb 0.72 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1wbe h LEU 152 CO 0.05 0.46 -0.23 1.88 -0.34 0.00 0.00 178.44 180.25 1wbe h TYR 153 N -0.24 0.00 -0.12 1.25 0.05 -1.05 -1.53 116.97 115.33 1wbe h TYR 153 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1wbe h TYR 153 Cb 0.41 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.15 1wbe h TYR 153 CO 0.05 0.23 0.00 0.00 -1.05 0.00 0.00 178.16 177.40 1wbe n ALA 154 N -2.45 2.54 -1.66 3.88 0.00 -0.93 -4.99 120.51 116.90 1wbe n ALA 154 Ca -0.02 -0.49 -0.40 0.00 0.00 0.00 0.00 53.44 52.53 1wbe n ALA 154 Cb 0.30 -1.12 0.02 0.00 0.00 0.00 0.00 19.45 18.65 1wbe n ALA 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wbe n ALA 155 N 0.23 0.74 -1.37 0.00 0.00 -0.58 -4.97 120.51 114.57 1wbe n ALA 155 Ca 0.17 0.21 -0.31 0.00 0.00 0.00 0.00 53.44 53.51 1wbe n ALA 155 Cb 0.32 -2.18 0.09 0.00 0.00 0.00 0.00 19.45 17.69 1wbe n ALA 155 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wbe s PRO 156 N -2.26 2.14 0.50 0.00 0.04 -1.26 -4.95 135.00 129.21 1wbe s PRO 156 Ca 0.65 0.95 -0.23 0.00 0.04 0.00 0.00 61.00 62.40 1wbe s PRO 156 Cb -0.51 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.06 1wbe s PRO 156 CO 0.55 -1.66 1.26 0.66 0.04 0.00 0.00 177.00 177.85 1wbe n TYR 157 N -3.51 2.00 -0.10 0.56 4.01 -1.26 -4.28 117.16 114.58 1wbe n TYR 157 Ca 0.08 0.46 -0.05 0.00 -0.16 0.00 0.00 57.90 58.23 1wbe n TYR 157 Cb 0.54 -2.34 0.02 0.00 -0.31 0.00 0.00 39.34 37.25 1wbe n TYR 157 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1wbe h LYS 158 N 1.59 0.10 -0.74 -0.72 3.64 -0.85 -0.12 116.57 119.47 1wbe h LYS 158 Ca -0.49 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1wbe h LYS 158 Cb 1.31 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.07 1wbe h LYS 158 CO 0.57 0.07 0.45 0.66 -2.27 0.00 0.00 179.45 178.94 1wbe h SER 159 N 0.11 0.87 -0.22 4.20 4.64 -1.92 -0.11 113.55 121.11 1wbe h SER 159 Ca 0.17 -0.04 -0.13 0.00 -0.47 0.00 0.00 61.79 61.32 1wbe h SER 159 Cb 0.23 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1wbe h SER 159 CO -0.28 0.66 -0.36 0.44 -0.87 0.00 0.00 176.83 176.41 1wbe h ASP 160 N 1.01 0.70 -0.25 4.97 3.32 -1.78 -0.44 116.42 123.94 1wbe h ASP 160 Ca 0.27 -0.53 0.01 0.00 0.02 0.00 0.00 57.03 56.80 1wbe h ASP 160 Cb -0.06 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 1wbe h ASP 160 CO -0.05 1.09 0.14 0.15 -1.72 0.00 0.00 179.24 178.85 1wbe h PHE 161 N 0.33 0.26 -0.52 4.55 3.57 -0.62 -1.23 116.94 123.28 1wbe h PHE 161 Ca 0.02 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.41 1wbe h PHE 161 Cb 0.95 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 1wbe h PHE 161 CO 0.08 0.15 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.10 1wbe h LEU 162 N 0.29 1.03 -0.85 0.59 3.38 -0.96 -2.35 115.31 116.43 1wbe h LEU 162 Ca 0.10 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.75 1wbe h LEU 162 Cb 0.01 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 1wbe h LEU 162 CO -0.05 1.16 0.54 0.50 0.09 0.00 0.00 178.44 180.67 1wbe h LYS 163 N 0.89 1.02 0.00 1.13 1.63 -0.86 -2.59 116.57 117.79 1wbe h LYS 163 Ca 0.13 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.85 1wbe h LYS 163 Cb 0.72 -0.23 -0.00 0.00 -0.60 0.00 0.00 32.23 32.12 1wbe h LYS 163 CO 0.06 0.67 -0.10 0.00 -3.45 0.00 0.00 179.45 176.63 1wbe h ALA 164 N 1.36 0.98 0.00 5.00 0.00 -0.89 -2.80 119.26 122.91 1wbe h ALA 164 Ca 0.34 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 1wbe h ALA 164 Cb 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1wbe h ALA 164 CO -0.12 0.13 -0.59 -0.07 0.00 0.00 0.00 179.25 178.59 1wbe h LEU 165 N 0.00 0.00 -4.67 0.00 3.38 -1.02 -3.20 115.31 109.80 1wbe h LEU 165 Ca -0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 1wbe h LEU 165 Cb 0.77 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.31 1wbe h LEU 165 CO 0.01 0.59 0.63 -1.54 0.09 0.00 0.00 178.44 178.23 1wbe n SER 166 N -3.73 6.85 -4.25 -0.43 3.41 -1.05 -4.98 113.62 109.44 1wbe n SER 166 Ca -0.01 -3.43 -0.26 0.00 -0.26 0.00 0.00 58.87 54.92 1wbe n SER 166 Cb 0.61 -1.17 -0.20 0.00 -0.26 0.00 0.00 64.21 63.20 1wbe n SER 166 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1wbe n LYS 167 N 0.36 0.00 -2.65 4.33 4.81 -1.21 -0.59 118.16 123.22 1wbe n LYS 167 Ca 0.51 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.80 1wbe n LYS 167 Cb 0.44 -1.07 0.02 0.00 0.02 0.00 0.00 35.03 34.44 1wbe n LYS 167 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wbe n GLY 168 N 5.45 -0.13 3.57 3.14 0.00 -1.26 -5.02 105.19 110.94 1wbe n GLY 168 Ca 0.64 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 46.17 1wbe n GLY 168 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wbe s GLN 169 N -5.17 2.06 -1.34 1.61 -0.21 0.25 -5.05 119.66 111.82 1wbe s GLN 169 Ca 0.16 -1.20 -0.09 0.00 0.02 0.00 0.00 55.36 54.25 1wbe s GLN 169 Cb -0.07 -2.20 0.12 0.00 1.00 0.00 0.00 33.01 31.87 1wbe s GLN 169 CO 0.19 0.45 2.14 -1.71 -2.12 0.00 0.00 175.29 174.25 1wbe n ASN 170 N 0.24 6.04 -4.09 5.90 2.85 -1.26 -4.93 115.26 120.01 1wbe n ASN 170 Ca -0.12 -3.05 -0.23 0.00 -0.11 0.00 0.00 54.58 51.07 1wbe n ASN 170 Cb 0.54 -1.47 -0.16 0.00 1.24 0.00 0.00 39.78 39.94 1wbe n ASN 170 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1wbe s VAL 171 N 0.40 1.12 0.71 3.44 0.11 -1.26 -5.14 120.40 119.78 1wbe s VAL 171 Ca 0.47 -0.57 -0.11 0.00 -2.93 0.00 0.00 61.98 58.84 1wbe s VAL 171 Cb 0.13 -0.96 0.02 0.00 -1.53 0.00 0.00 36.38 34.04 1wbe s VAL 171 CO -0.04 0.33 1.07 0.42 -3.33 0.00 0.00 175.10 173.55 1wbe s THR 172 N -0.05 3.88 0.29 5.04 -4.23 -1.26 -4.84 115.64 114.47 1wbe s THR 172 Ca -0.00 0.61 0.04 0.00 -1.18 0.00 0.00 61.69 61.16 1wbe s THR 172 Cb -0.08 -3.38 0.29 0.00 1.34 0.00 0.00 72.50 70.67 1wbe s THR 172 CO 0.01 -0.80 1.79 -0.33 -0.54 0.00 0.00 174.62 174.75 1wbe h GLU 173 N -0.76 0.81 -0.60 3.99 5.08 -1.99 -0.23 114.58 120.88 1wbe h GLU 173 Ca -0.44 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 57.77 1wbe h GLU 173 Cb 1.22 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1wbe h GLU 173 CO 0.58 0.53 0.01 1.49 -1.00 0.00 0.00 179.01 180.62 1wbe h GLU 174 N 0.83 1.05 -0.46 2.33 4.57 -1.99 -0.77 114.58 120.14 1wbe h GLU 174 Ca 0.55 -0.33 -0.10 0.00 -1.18 0.00 0.00 59.36 58.31 1wbe h GLU 174 Cb 0.76 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.23 1wbe h GLU 174 CO -0.35 1.02 -0.10 0.93 -1.18 0.00 0.00 179.01 179.33 1wbe h GLU 175 N 0.96 0.84 -0.19 1.92 5.08 -1.75 -1.47 114.58 119.98 1wbe h GLU 175 Ca 0.17 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1wbe h GLU 175 Cb 0.54 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1wbe h GLU 175 CO 0.03 0.91 0.09 0.00 -1.00 0.00 0.00 179.01 179.03 1wbe h LEU 177 N 0.16 1.00 -0.71 0.00 3.38 -1.00 -1.27 115.31 116.88 1wbe h LEU 177 Ca 0.06 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1wbe h LEU 177 Cb 0.13 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 1wbe h LEU 177 CO -0.01 0.77 0.42 -0.33 0.09 0.00 0.00 178.44 179.38 1wbe h GLU 178 N 1.14 0.76 -0.75 1.13 4.39 -0.98 -0.23 114.58 120.05 1wbe h GLU 178 Ca 0.30 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 1wbe h GLU 178 Cb -0.04 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.41 1wbe h GLU 178 CO -0.05 0.50 0.43 0.87 -1.16 0.00 0.00 179.01 179.59 1wbe h LYS 179 N 0.78 1.03 -0.62 2.33 1.57 -0.86 -1.84 116.57 118.95 1wbe h LYS 179 Ca 0.31 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.89 1wbe h LYS 179 Cb 0.14 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1wbe h LYS 179 CO -0.16 0.75 0.04 0.28 -0.57 0.00 0.00 179.45 179.79 1wbe h VAL 180 N 1.03 1.26 -0.93 0.50 2.07 -0.54 -1.61 116.25 118.03 1wbe h VAL 180 Ca 0.26 -1.11 0.01 0.00 0.82 0.00 0.00 66.70 66.68 1wbe h VAL 180 Cb 0.01 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 1wbe h VAL 180 CO -0.05 0.41 0.60 0.03 0.02 0.00 0.00 177.57 178.58 1wbe h ARG 181 N 0.98 1.23 -0.16 1.57 3.08 -0.84 -0.06 114.38 120.18 1wbe h ARG 181 Ca 0.18 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1wbe h ARG 181 Cb 0.51 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1wbe h ARG 181 CO 0.02 0.83 0.05 1.25 -1.07 0.00 0.00 179.97 181.06 1wbe h LEU 182 N 1.27 0.24 -0.89 3.04 5.85 -0.95 -2.76 115.31 121.11 1wbe h LEU 182 Ca 0.34 -0.20 0.16 0.00 0.84 0.00 0.00 57.88 59.02 1wbe h LEU 182 Cb -0.12 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 40.75 1wbe h LEU 182 CO -0.07 0.37 0.48 0.15 -0.34 0.00 0.00 178.44 179.03 1wbe h PHE 183 N 0.09 0.84 0.00 1.25 3.57 -0.82 -2.35 116.94 119.52 1wbe h PHE 183 Ca 0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1wbe h PHE 183 Cb 0.22 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1wbe h PHE 183 CO -0.00 0.20 0.00 -0.07 -2.23 0.00 0.00 178.31 176.21 1wbe h LEU 184 N 0.66 0.00 0.43 0.59 3.38 -0.72 -2.93 115.31 116.72 1wbe h LEU 184 Ca 0.49 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.44 1wbe h LEU 184 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1wbe h LEU 184 CO -0.37 0.00 -0.21 0.58 0.09 0.00 0.00 178.44 178.54 1wbe h VAL 185 N 0.00 0.00 -0.04 1.22 2.07 -1.40 -0.17 116.25 117.93 1wbe h VAL 185 Ca 0.00 -0.24 -0.11 0.00 0.82 0.00 0.00 66.70 67.17 1wbe h VAL 185 Cb 0.09 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 1wbe h VAL 185 CO 0.00 0.00 -0.51 0.78 0.02 0.00 0.00 177.57 177.86 1wbe h ASN 186 N -0.81 0.11 -0.04 0.57 2.35 -1.74 -2.69 115.58 113.33 1wbe h ASN 186 Ca -0.06 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1wbe h ASN 186 Cb 0.44 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 1wbe h ASN 186 CO 0.10 0.60 0.01 0.22 -1.65 0.00 0.00 177.43 176.71 1wbe h TYR 187 N 0.08 0.06 -0.37 1.19 3.20 -1.52 -0.94 116.97 118.67 1wbe h TYR 187 Ca 0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1wbe h TYR 187 Cb 0.93 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.16 1wbe h TYR 187 CO 0.01 0.24 0.20 1.15 -1.64 0.00 0.00 178.16 178.12 1wbe h THR 188 N -0.13 1.14 -0.83 1.81 2.02 -1.02 -1.54 112.91 114.37 1wbe h THR 188 Ca 0.01 -0.36 0.07 0.00 0.77 0.00 0.00 66.41 66.90 1wbe h THR 188 Cb 0.20 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 67.26 1wbe h THR 188 CO -0.00 0.14 0.50 0.00 0.37 0.00 0.00 175.52 176.54 1wbe h ALA 189 N 1.07 1.14 -0.20 6.16 0.00 -1.37 -0.45 119.26 125.62 1wbe h ALA 189 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1wbe h ALA 189 Cb 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1wbe h ALA 189 CO -0.02 0.22 0.05 1.15 0.00 0.00 0.00 179.25 180.65 1wbe h THR 190 N 0.90 1.20 -0.55 0.00 2.02 -0.85 -0.76 112.91 114.87 1wbe h THR 190 Ca 0.37 -0.64 -0.04 0.00 0.77 0.00 0.00 66.41 66.87 1wbe h THR 190 Cb 0.21 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 1wbe h THR 190 CO -0.19 0.20 0.17 0.40 0.37 0.00 0.00 175.52 176.48 1wbe h ILE 191 N 0.14 1.24 -0.97 3.11 1.08 -1.04 -1.03 117.51 120.03 1wbe h ILE 191 Ca 0.06 -0.80 0.01 0.00 -0.39 0.00 0.00 64.86 63.74 1wbe h ILE 191 Cb 0.26 0.71 -0.05 0.00 -3.07 0.00 0.00 36.82 34.67 1wbe h ILE 191 CO -0.00 0.30 0.63 0.44 -0.69 0.00 0.00 178.15 178.83 1wbe h ASP 192 N 0.77 1.12 -0.65 1.72 3.32 -0.88 -0.23 116.42 121.59 1wbe h ASP 192 Ca 0.18 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 1wbe h ASP 192 Cb 0.28 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1wbe h ASP 192 CO -0.01 0.82 0.10 0.58 -1.72 0.00 0.00 179.24 179.02 1wbe h VAL 193 N 1.32 1.26 -0.56 -1.35 2.07 -0.84 -0.91 116.25 117.24 1wbe h VAL 193 Ca 0.35 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1wbe h VAL 193 Cb -0.14 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 1wbe h VAL 193 CO -0.07 0.39 0.32 0.40 0.02 0.00 0.00 177.57 178.62 1wbe h ILE 194 N 1.01 1.18 -0.76 4.57 2.04 -0.42 -0.61 117.51 124.51 1wbe h ILE 194 Ca 0.20 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.63 1wbe h ILE 194 Cb 0.45 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1wbe h ILE 194 CO 0.01 0.19 0.50 1.88 0.00 0.00 0.00 178.15 180.73 1wbe h TYR 195 N 0.75 0.95 -0.44 1.37 -1.99 -0.83 -1.54 116.97 115.25 1wbe h TYR 195 Ca 0.20 0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.89 1wbe h TYR 195 Cb 0.02 -0.32 -0.02 0.00 2.00 0.00 0.00 36.73 38.41 1wbe h TYR 195 CO -0.02 0.60 0.03 0.93 -0.00 0.00 0.00 178.16 179.69 1wbe h GLU 196 N 1.02 0.69 -0.15 4.88 5.08 -0.79 -2.03 114.58 123.29 1wbe h GLU 196 Ca 0.28 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1wbe h GLU 196 Cb -0.11 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1wbe h GLU 196 CO -0.06 0.69 0.03 1.98 -1.00 0.00 0.00 179.01 180.65 1wbe h MET 197 N 0.66 0.25 -0.70 2.33 4.05 -0.70 -0.01 114.93 120.80 1wbe h MET 197 Ca 0.14 -0.06 0.07 0.00 -0.28 0.00 0.00 59.70 59.57 1wbe h MET 197 Cb 0.37 -0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 31.08 1wbe h MET 197 CO 0.01 0.41 0.39 1.88 0.23 0.00 0.00 176.91 179.83 1wbe h TYR 198 N 0.04 0.70 -0.31 1.39 -1.99 -0.95 -0.65 116.97 115.21 1wbe h TYR 198 Ca 0.05 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.75 1wbe h TYR 198 Cb 0.28 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 38.79 1wbe h TYR 198 CO 0.01 0.31 -0.00 1.79 -0.00 0.00 0.00 178.16 180.27 1wbe h THR 199 N 0.69 1.26 -0.87 -2.88 1.35 -1.17 -0.64 112.91 110.65 1wbe h THR 199 Ca 0.33 -0.96 0.01 0.00 -0.55 0.00 0.00 66.41 65.24 1wbe h THR 199 Cb 0.25 1.26 -0.05 0.00 -1.73 0.00 0.00 68.15 67.89 1wbe h THR 199 CO -0.21 0.31 0.58 -0.09 -0.25 0.00 0.00 175.52 175.86 1wbe h ARG 200 N 0.35 1.13 -0.14 4.72 2.43 -0.70 -2.33 114.38 119.85 1wbe h ARG 200 Ca 0.09 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1wbe h ARG 200 Cb 0.45 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1wbe h ARG 200 CO 0.02 0.75 0.00 -1.33 -1.51 0.00 0.00 179.97 177.89 1wbe n MET 201 N -4.49 1.55 -3.44 0.20 2.81 -0.28 -4.91 117.12 108.56 1wbe n MET 201 Ca 0.10 -0.82 -0.25 0.00 -1.81 0.00 0.00 57.70 54.91 1wbe n MET 201 Cb 0.03 -1.35 0.03 0.00 -0.71 0.00 0.00 33.22 31.22 1wbe n MET 201 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1wbe n ASN 202 N 0.06 -5.23 -0.14 7.83 4.13 -0.88 -4.88 115.26 116.15 1wbe n ASN 202 Ca 0.15 -0.49 0.11 0.00 1.68 0.00 0.00 54.58 56.03 1wbe n ASN 202 Cb 0.26 -4.21 0.09 0.00 -1.54 0.00 0.00 39.78 34.38 1wbe n ASN 202 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wbe n ALA 203 N -4.08 3.91 -2.35 5.41 0.00 -0.29 -4.81 120.51 118.29 1wbe n ALA 203 Ca -0.03 -0.50 -0.40 0.00 0.00 0.00 0.00 53.44 52.50 1wbe n ALA 203 Cb 0.57 -0.94 -0.05 0.00 0.00 0.00 0.00 19.45 19.03 1wbe n ALA 203 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1wbe s GLU 204 N -2.82 4.59 0.27 0.00 2.56 -1.22 -4.81 118.70 117.27 1wbe s GLU 204 Ca 0.14 1.24 0.12 0.00 0.00 0.00 0.00 54.97 56.46 1wbe s GLU 204 Cb 0.17 -3.37 -0.05 0.00 2.00 0.00 0.00 34.13 32.88 1wbe s GLU 204 CO 0.71 0.24 -0.17 -0.51 -0.56 0.00 0.00 175.26 174.96 1wbe s LEU 205 N 0.01 2.68 0.00 2.70 1.43 -1.26 -5.07 118.68 119.17 1wbe s LEU 205 Ca 0.43 -0.96 0.03 0.00 -1.03 0.00 0.00 54.13 52.59 1wbe s LEU 205 Cb -0.22 -1.20 0.05 0.00 0.03 0.00 0.00 46.19 44.85 1wbe s LEU 205 CO 0.26 0.04 0.78 0.59 0.23 0.00 0.00 176.35 178.25 1wbe n ASN 206 N -0.62 1.65 -4.70 2.29 3.02 -1.26 -5.05 115.26 110.58 1wbe n ASN 206 Ca -0.06 -1.48 -0.34 0.00 -0.03 0.00 0.00 54.58 52.68 1wbe n ASN 206 Cb 0.60 -0.02 0.11 0.00 -0.61 0.00 0.00 39.78 39.86 1wbe n ASN 206 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1wbe s TYR 207 N -0.55 1.86 0.10 3.10 -0.85 -1.26 -4.86 117.35 114.89 1wbe s TYR 207 Ca 0.04 1.63 0.05 0.00 -0.52 0.00 0.00 57.07 58.27 1wbe s TYR 207 Cb 0.03 -3.53 -0.04 0.00 0.38 0.00 0.00 41.96 38.80 1wbe s TYR 207 CO 0.04 -2.87 0.03 0.15 -1.52 0.00 0.00 175.55 171.37 1wbe s LYS 208 N -3.98 2.64 0.00 -3.49 1.02 -1.26 -4.80 119.74 109.87 1wbe s LYS 208 Ca 0.75 -0.83 0.16 0.00 0.02 0.00 0.00 55.97 56.08 1wbe s LYS 208 Cb -0.31 -2.58 0.13 0.00 -0.52 0.00 0.00 37.83 34.56 1wbe s LYS 208 CO 0.48 0.54 1.01 1.33 -0.92 0.00 0.00 175.35 177.79