#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nug h LEU 4 N 0.00 0.61 -1.67 -0.89 3.38 -2.01 -0.60 115.31 114.13 2nug h LEU 4 Ca 0.00 -0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 2nug h LEU 4 Cb 0.00 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2nug h LEU 4 CO 0.00 0.41 0.40 -0.33 0.09 0.00 0.00 178.44 179.01 2nug h GLU 5 N 0.70 0.35 -0.41 1.13 5.08 -2.00 0.06 114.58 119.49 2nug h GLU 5 Ca 0.28 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.52 2nug h GLU 5 Cb 0.21 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2nug h GLU 5 CO -0.09 0.23 -0.13 0.37 -1.00 0.00 0.00 179.01 178.40 2nug h GLN 6 N 0.36 0.75 -0.29 2.33 4.15 -1.54 -1.37 115.11 119.50 2nug h GLN 6 Ca 0.28 -0.26 -0.16 0.00 0.77 0.00 0.00 58.65 59.28 2nug h GLN 6 Cb 0.61 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.24 2nug h GLN 6 CO -0.07 0.85 -0.46 1.25 -1.93 0.00 0.00 178.83 178.47 2nug h LEU 7 N 0.68 0.91 -1.38 -2.39 5.85 -1.03 -2.40 115.31 115.55 2nug h LEU 7 Ca 0.11 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2nug h LEU 7 Cb 0.61 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 2nug h LEU 7 CO 0.04 1.25 0.38 -0.33 -0.34 0.00 0.00 178.44 179.45 2nug h GLU 8 N 0.60 0.80 -0.57 1.25 5.08 -1.03 0.33 114.58 121.05 2nug h GLU 8 Ca 0.03 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 2nug h GLU 8 Cb 1.06 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 2nug h GLU 8 CO 0.11 0.54 -0.05 -0.22 -1.00 0.00 0.00 179.01 178.39 2nug h LYS 9 N 0.82 1.04 -0.40 2.33 3.64 -1.06 0.19 116.57 123.14 2nug h LYS 9 Ca 0.22 -0.36 -0.11 0.00 -1.27 0.00 0.00 60.65 59.13 2nug h LYS 9 Cb -0.07 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 2nug h LYS 9 CO -0.04 1.05 -0.21 0.87 -2.27 0.00 0.00 179.45 178.84 2nug h LYS 10 N 0.92 0.78 -0.03 1.90 1.57 -0.81 -3.03 116.57 117.88 2nug h LYS 10 Ca 0.15 -0.31 -0.17 0.00 -1.87 0.00 0.00 60.65 58.46 2nug h LYS 10 Cb 0.62 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 2nug h LYS 10 CO 0.04 0.92 -0.74 -0.07 -0.57 0.00 0.00 179.45 179.04 2nug h LEU 11 N 0.68 0.20 0.00 2.94 3.38 -0.74 -3.47 115.31 118.30 2nug h LEU 11 Ca 0.10 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2nug h LEU 11 Cb 0.72 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2nug h LEU 11 CO 0.06 0.87 0.00 0.61 0.09 0.00 0.00 178.44 180.06 2nug n GLY 12 N 0.56 0.57 3.03 0.83 0.00 0.62 -4.99 105.19 105.80 2nug n GLY 12 Ca -0.03 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 2nug n GLY 12 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2nug s TYR 13 N -2.00 -0.27 -0.22 1.61 5.04 -0.85 -5.05 117.35 115.61 2nug s TYR 13 Ca 0.00 0.66 -0.07 0.00 -2.44 0.00 0.00 57.07 55.22 2nug s TYR 13 Cb 0.00 0.02 -0.03 0.00 0.35 0.00 0.00 41.96 42.30 2nug s TYR 13 CO 0.00 -0.19 0.07 0.99 -1.34 0.00 0.00 175.55 175.07 2nug s THR 14 N 1.02 4.50 0.40 4.34 2.01 -1.26 -4.52 115.64 122.13 2nug s THR 14 Ca -0.07 -0.12 -0.24 0.00 0.31 0.00 0.00 61.69 61.56 2nug s THR 14 Cb -0.09 -3.07 -0.09 0.00 0.01 0.00 0.00 72.50 69.26 2nug s THR 14 CO -0.06 0.39 1.07 -0.36 -0.69 0.00 0.00 174.62 174.97 2nug s PHE 15 N 1.08 3.22 -0.11 4.92 0.40 -1.26 -4.96 117.98 121.27 2nug s PHE 15 Ca 0.04 1.63 -0.15 0.00 -0.60 0.00 0.00 56.93 57.85 2nug s PHE 15 Cb -0.14 -3.17 -0.26 0.00 0.51 0.00 0.00 43.02 39.95 2nug s PHE 15 CO 0.03 -0.76 0.50 -0.22 0.70 0.00 0.00 175.22 175.48 2nug h LYS 16 N 2.50 0.23 -4.08 0.44 3.64 -1.99 -3.41 116.57 113.90 2nug h LYS 16 Ca -0.48 -0.39 -0.73 0.00 -1.27 0.00 0.00 60.65 57.77 2nug h LYS 16 Cb 1.22 0.15 -0.30 0.00 -0.41 0.00 0.00 32.23 32.88 2nug h LYS 16 CO 0.62 1.19 -0.31 0.34 -2.27 0.00 0.00 179.45 179.02 2nug s ASP 17 N -7.03 5.77 0.57 4.20 2.15 -1.26 -4.94 116.67 116.13 2nug s ASP 17 Ca -0.21 -2.24 0.27 0.00 0.43 0.00 0.00 52.55 50.80 2nug s ASP 17 Cb 0.05 -2.01 1.61 0.00 -0.30 0.00 0.00 42.92 42.28 2nug s ASP 17 CO 0.75 -0.60 2.14 0.11 -0.17 0.00 0.00 175.17 177.40 2nug h LYS 18 N 8.04 0.00 0.00 4.34 6.56 -2.01 -1.58 116.57 131.92 2nug h LYS 18 Ca -0.12 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.43 2nug h LYS 18 Cb 1.04 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.70 2nug h LYS 18 CO 0.81 0.00 -0.21 0.66 -2.06 0.00 0.00 179.45 178.65 2nug h SER 19 N 0.00 0.00 -0.27 0.86 4.64 -1.99 -1.35 113.55 115.45 2nug h SER 19 Ca 0.06 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.29 2nug h SER 19 Cb 0.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 2nug h SER 19 CO -0.00 0.21 -0.19 -0.07 -0.87 0.00 0.00 176.83 175.91 2nug h LEU 20 N 0.00 0.63 -0.49 5.97 3.38 -1.70 -0.95 115.31 122.15 2nug h LEU 20 Ca -0.00 -0.44 -0.07 0.00 0.09 0.00 0.00 57.88 57.45 2nug h LEU 20 Cb 0.48 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2nug h LEU 20 CO 0.03 0.94 0.02 0.25 0.09 0.00 0.00 178.44 179.77 2nug h LEU 21 N 0.33 0.83 -0.73 1.67 5.85 -1.53 -2.41 115.31 119.32 2nug h LEU 21 Ca 0.05 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.49 2nug h LEU 21 Cb 0.73 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 2nug h LEU 21 CO 0.05 0.92 0.48 -0.33 -0.34 0.00 0.00 178.44 179.22 2nug h GLU 22 N 0.71 0.96 -0.45 1.25 5.08 -1.19 -2.51 114.58 118.44 2nug h GLU 22 Ca 0.14 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2nug h GLU 22 Cb 0.48 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 2nug h GLU 22 CO 0.02 0.63 0.27 0.87 -1.00 0.00 0.00 179.01 179.80 2nug h LYS 23 N 0.99 0.52 0.00 2.33 1.57 -0.97 -2.16 116.57 118.85 2nug h LYS 23 Ca 0.27 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 2nug h LYS 23 Cb -0.11 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.08 2nug h LYS 23 CO -0.06 0.35 -0.06 0.00 -0.57 0.00 0.00 179.45 179.10 2nug h ALA 24 N 1.20 1.58 -0.01 3.86 0.00 -1.02 -1.87 119.26 122.99 2nug h ALA 24 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2nug h ALA 24 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2nug h ALA 24 CO -0.08 0.08 -0.42 1.28 0.00 0.00 0.00 179.25 180.11 2nug n LEU 25 N -4.00 1.36 -4.60 0.00 4.77 -0.88 -4.60 117.00 109.05 2nug n LEU 25 Ca -0.03 -0.45 -0.37 0.00 -0.03 0.00 0.00 56.01 55.14 2nug n LEU 25 Cb 0.15 -0.08 -0.11 0.00 -2.33 0.00 0.00 43.42 41.06 2nug n LEU 25 CO 0.31 0.26 -0.20 -0.89 -1.33 0.00 0.00 177.39 175.54 2nug s THR 26 N -2.57 5.13 0.35 -5.08 2.01 -0.87 -0.05 115.64 114.57 2nug s THR 26 Ca 0.20 0.10 -0.25 0.00 0.31 0.00 0.00 61.69 62.05 2nug s THR 26 Cb 0.18 -3.41 -0.10 0.00 0.01 0.00 0.00 72.50 69.19 2nug s THR 26 CO 0.58 0.32 1.00 -2.28 -0.69 0.00 0.00 174.62 173.55 2nug s HIS 27 N 1.34 3.50 0.56 4.92 2.46 -0.75 -1.49 115.29 125.83 2nug s HIS 27 Ca 0.07 1.72 0.27 0.00 0.47 0.00 0.00 55.06 57.58 2nug s HIS 27 Cb -0.15 -3.03 1.49 0.00 -0.13 0.00 0.00 32.58 30.76 2nug s HIS 27 CO 0.06 -0.18 2.02 -0.24 -2.47 0.00 0.00 174.74 173.93 2nug h VAL 28 N 2.45 0.60 0.00 0.89 3.04 -1.91 0.21 116.25 121.53 2nug h VAL 28 Ca -0.47 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 2nug h VAL 28 Cb 1.20 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 31.24 2nug h VAL 28 CO 0.64 0.00 0.00 0.77 -1.01 0.00 0.00 177.57 177.97 2nug h SER 29 N 0.00 0.00 0.25 3.17 4.64 -1.94 -2.88 113.55 116.79 2nug h SER 29 Ca 0.18 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.17 2nug h SER 29 Cb 0.84 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.87 2nug h SER 29 CO -0.00 0.00 -2.04 0.00 -0.87 0.00 0.00 176.83 173.92 2nug n TYR 30 N -2.52 0.53 -3.66 4.77 4.19 0.68 -4.92 117.16 116.23 2nug n TYR 30 Ca 0.02 0.19 -0.05 0.00 3.31 0.00 0.00 57.90 61.37 2nug n TYR 30 Cb 0.29 -1.10 -0.07 0.00 0.49 0.00 0.00 39.34 38.96 2nug n TYR 30 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 2nug s SER 31 N -5.84 -0.81 0.00 2.98 0.15 -0.96 -5.03 113.70 104.20 2nug s SER 31 Ca -0.08 1.34 0.26 0.00 0.70 0.00 0.00 55.95 58.17 2nug s SER 31 Cb 0.07 1.67 0.78 0.00 -1.71 0.00 0.00 66.02 66.83 2nug s SER 31 CO 0.82 -0.22 1.59 0.29 1.20 0.00 0.00 173.24 176.92 2nug n LYS 32 N 5.02 0.47 -0.09 5.44 5.02 -1.23 -4.19 118.16 128.59 2nug n LYS 32 Ca -0.15 -0.25 -0.14 0.00 -2.02 0.00 0.00 58.31 55.76 2nug n LYS 32 Cb 0.52 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.98 2nug n LYS 32 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2nug n LYS 33 N -1.05 0.52 -3.86 1.97 4.81 -1.26 -4.83 118.16 114.47 2nug n LYS 33 Ca 0.10 0.40 -0.33 0.00 -0.87 0.00 0.00 58.31 57.61 2nug n LYS 33 Cb 0.33 -1.60 -0.12 0.00 0.02 0.00 0.00 35.03 33.66 2nug n LYS 33 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2nug s GLU 34 N -2.50 2.08 0.40 1.64 2.02 -1.26 -5.06 118.70 116.01 2nug s GLU 34 Ca -0.26 -2.31 0.04 0.00 0.02 0.00 0.00 54.97 52.46 2nug s GLU 34 Cb 0.06 -3.48 -0.03 0.00 0.10 0.00 0.00 34.13 30.77 2nug s GLU 34 CO 0.40 -1.09 0.12 -3.38 0.02 0.00 0.00 175.26 171.33 2nug s HIS 35 N 0.26 1.80 -2.15 1.61 -3.43 -1.26 -4.73 115.29 107.40 2nug s HIS 35 Ca 0.14 -1.24 0.28 0.00 -0.80 0.00 0.00 55.06 53.44 2nug s HIS 35 Cb -0.22 -1.17 1.09 0.00 -1.43 0.00 0.00 32.58 30.85 2nug s HIS 35 CO -0.03 -0.26 1.77 2.48 -2.00 0.00 0.00 174.74 176.69 2nug n TYR 36 N -0.88 0.00 -0.26 0.38 0.18 -0.56 -4.57 117.16 111.45 2nug n TYR 36 Ca -0.05 0.00 0.06 0.00 1.88 0.00 0.00 57.90 59.78 2nug n TYR 36 Cb 0.65 -0.05 0.20 0.00 -0.38 0.00 0.00 39.34 39.75 2nug n TYR 36 CO 0.00 0.00 0.00 0.93 -2.08 0.00 0.00 176.86 175.71 2nug h GLU 37 N 1.58 0.44 -0.02 -3.48 4.39 -1.88 0.14 114.58 115.76 2nug h GLU 37 Ca 0.00 -0.03 -0.24 0.00 0.34 0.00 0.00 59.36 59.43 2nug h GLU 37 Cb 0.43 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2nug h GLU 37 CO 0.00 0.29 -0.97 1.15 -1.16 0.00 0.00 179.01 178.33 2nug h THR 38 N 0.46 1.33 -0.40 1.13 2.02 -2.00 -2.71 112.91 112.74 2nug h THR 38 Ca 0.43 -2.29 -0.05 0.00 0.77 0.00 0.00 66.41 65.27 2nug h THR 38 Cb 0.65 2.34 -0.02 0.00 -1.74 0.00 0.00 68.15 69.39 2nug h THR 38 CO -0.41 0.70 0.02 -0.07 0.37 0.00 0.00 175.52 176.13 2nug h LEU 39 N 0.34 0.59 -0.66 2.58 3.38 -1.74 -2.48 115.31 117.33 2nug h LEU 39 Ca -0.10 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 2nug h LEU 39 Cb 1.61 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.17 2nug h LEU 39 CO 0.18 0.64 0.23 -0.08 0.09 0.00 0.00 178.44 179.51 2nug h GLU 40 N 0.60 1.00 -0.31 1.13 4.81 -0.66 0.45 114.58 121.61 2nug h GLU 40 Ca 0.13 -0.20 0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2nug h GLU 40 Cb 0.35 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 2nug h GLU 40 CO 0.01 0.86 0.09 0.35 -0.73 0.00 0.00 179.01 179.59 2nug h PHE 41 N 0.94 0.16 -0.30 0.92 3.57 -1.13 -0.69 116.94 120.42 2nug h PHE 41 Ca 0.21 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.60 2nug h PHE 41 Cb 0.26 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 2nug h PHE 41 CO 0.02 0.06 -0.32 1.25 -2.23 0.00 0.00 178.31 177.09 2nug h LEU 42 N 0.22 0.80 -1.30 0.59 5.85 -1.13 -3.24 115.31 117.09 2nug h LEU 42 Ca 0.14 -0.48 0.03 0.00 0.84 0.00 0.00 57.88 58.41 2nug h LEU 42 Cb 0.12 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 2nug h LEU 42 CO -0.15 1.11 0.49 1.23 -0.34 0.00 0.00 178.44 180.78 2nug h GLY 43 N 0.50 1.03 0.99 3.75 0.00 0.24 -1.26 103.07 108.32 2nug h GLY 43 Ca 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2nug h GLY 43 CO 0.08 0.33 0.14 -1.80 0.00 0.00 0.00 176.54 175.29 2nug h ASP 44 N 0.92 0.24 -0.50 0.19 3.58 -1.16 0.71 116.42 120.41 2nug h ASP 44 Ca 0.29 -0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.62 2nug h ASP 44 Cb 0.01 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 2nug h ASP 44 CO -0.08 0.18 -0.10 0.00 -2.88 0.00 0.00 179.24 176.36 2nug h ALA 45 N 1.08 0.83 0.32 -0.78 0.00 -1.49 -1.20 119.26 118.02 2nug h ALA 45 Ca 0.08 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2nug h ALA 45 Cb -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2nug h ALA 45 CO -0.02 0.66 -0.15 1.25 0.00 0.00 0.00 179.25 180.98 2nug h LEU 46 N 0.88 -0.36 -0.85 0.00 5.85 -1.00 -2.32 115.31 117.50 2nug h LEU 46 Ca 0.14 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 2nug h LEU 46 Cb 0.65 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 2nug h LEU 46 CO 0.04 -0.05 0.14 0.58 -0.34 0.00 0.00 178.44 178.81 2nug h VAL 47 N -0.69 1.25 -0.73 1.05 2.07 -0.89 -1.32 116.25 116.99 2nug h VAL 47 Ca -0.04 -0.93 0.05 0.00 0.82 0.00 0.00 66.70 66.59 2nug h VAL 47 Cb 0.48 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 2nug h VAL 47 CO 0.07 0.35 0.44 0.78 0.02 0.00 0.00 177.57 179.23 2nug h ASN 48 N 0.95 0.69 -0.39 0.57 4.21 -1.22 -0.64 115.58 119.75 2nug h ASN 48 Ca 0.20 0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.72 2nug h ASN 48 Cb 0.36 -0.13 -0.02 0.00 -1.12 0.00 0.00 38.32 37.41 2nug h ASN 48 CO 0.00 0.46 0.22 0.15 -1.29 0.00 0.00 177.43 176.97 2nug h PHE 49 N 0.83 0.54 -0.62 1.19 3.57 -0.83 -0.50 116.94 121.12 2nug h PHE 49 Ca 0.31 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.86 2nug h PHE 49 Cb 0.11 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 38.62 2nug h PHE 49 CO -0.05 0.42 0.32 0.74 -2.23 0.00 0.00 178.31 177.50 2nug h PHE 50 N 0.51 0.58 -0.15 0.41 0.04 -0.27 -0.23 116.94 117.82 2nug h PHE 50 Ca 0.14 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.88 2nug h PHE 50 Cb 0.05 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 38.03 2nug h PHE 50 CO -0.03 0.26 -0.10 0.82 -0.60 0.00 0.00 178.31 178.66 2nug h ILE 51 N 0.59 1.33 -0.87 -0.55 2.04 -0.92 -2.10 117.51 117.02 2nug h ILE 51 Ca 0.29 -1.19 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 2nug h ILE 51 Cb 0.22 1.78 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 2nug h ILE 51 CO -0.20 0.35 0.49 0.58 0.00 0.00 0.00 178.15 179.37 2nug h VAL 52 N -0.01 1.25 -0.58 1.67 2.07 -0.87 -1.05 116.25 118.73 2nug h VAL 52 Ca 0.03 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 2nug h VAL 52 Cb 0.60 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2nug h VAL 52 CO 0.03 0.27 0.15 -0.78 0.02 0.00 0.00 177.57 177.26 2nug h ASP 53 N 1.21 0.88 -0.55 0.57 3.58 -0.99 -1.57 116.42 119.54 2nug h ASP 53 Ca 0.31 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 2nug h ASP 53 Cb -0.01 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.79 2nug h ASP 53 CO -0.05 0.87 0.31 0.25 -2.88 0.00 0.00 179.24 177.74 2nug h LEU 54 N 0.84 0.68 -0.27 2.28 5.85 -0.89 0.57 115.31 124.36 2nug h LEU 54 Ca 0.18 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 2nug h LEU 54 Cb 0.33 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2nug h LEU 54 CO 0.00 0.56 0.17 -0.07 -0.34 0.00 0.00 178.44 178.76 2nug h LEU 55 N 0.74 0.32 -0.66 2.25 3.38 -0.91 -2.53 115.31 117.89 2nug h LEU 55 Ca 0.19 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 2nug h LEU 55 Cb 0.03 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2nug h LEU 55 CO -0.03 0.26 -0.11 0.58 0.09 0.00 0.00 178.44 179.23 2nug h VAL 56 N 0.35 1.26 -0.92 1.22 2.07 -1.07 -2.55 116.25 116.61 2nug h VAL 56 Ca 0.10 -1.23 0.03 0.00 0.82 0.00 0.00 66.70 66.42 2nug h VAL 56 Cb -0.00 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 2nug h VAL 56 CO -0.02 0.43 0.60 -0.61 0.02 0.00 0.00 177.57 177.99 2nug h GLN 57 N 0.83 1.13 -0.40 1.57 4.15 -0.69 -0.12 115.11 121.58 2nug h GLN 57 Ca 0.13 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.49 2nug h GLN 57 Cb 0.64 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.08 2nug h GLN 57 CO 0.04 0.75 0.00 0.66 -1.93 0.00 0.00 178.83 178.35 2nug n TYR 58 N -4.50 0.52 -2.76 3.99 4.01 -0.97 -4.27 117.16 113.18 2nug n TYR 58 Ca 0.12 -0.26 -0.09 0.00 -0.16 0.00 0.00 57.90 57.51 2nug n TYR 58 Cb 0.09 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.20 2nug n TYR 58 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2nug n SER 59 N 0.98 -1.49 0.15 7.72 7.64 -0.96 -5.00 113.62 122.65 2nug n SER 59 Ca 0.18 -3.08 0.18 0.00 1.01 0.00 0.00 58.87 57.16 2nug n SER 59 Cb 0.46 1.09 0.78 0.00 -1.01 0.00 0.00 64.21 65.53 2nug n SER 59 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2nug h PRO 60 N 2.63 0.00 -0.69 1.43 0.13 -1.21 -1.80 132.00 132.49 2nug h PRO 60 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2nug h PRO 60 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2nug h PRO 60 CO 0.13 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.99 2nug n ASN 61 N -3.93 3.87 -4.86 1.44 5.03 -1.26 -4.95 115.26 110.59 2nug n ASN 61 Ca 0.04 -2.00 -0.36 0.00 0.87 0.00 0.00 54.58 53.13 2nug n ASN 61 Cb 0.42 -0.46 -0.06 0.00 -1.02 0.00 0.00 39.78 38.67 2nug n ASN 61 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2nug s LYS 62 N -1.03 3.82 0.80 3.52 -0.14 -0.68 -5.08 119.74 120.94 2nug s LYS 62 Ca 0.47 0.26 -0.12 0.00 -1.36 0.00 0.00 55.97 55.22 2nug s LYS 62 Cb 0.25 -3.05 0.07 0.00 -1.68 0.00 0.00 37.83 33.41 2nug s LYS 62 CO 0.32 0.59 1.11 1.03 -0.76 0.00 0.00 175.35 177.65 2nug s ARG 63 N -1.68 2.08 0.50 1.68 1.81 -1.26 -4.86 118.95 117.23 2nug s ARG 63 Ca 0.31 0.48 0.17 0.00 -1.72 0.00 0.00 55.73 54.96 2nug s ARG 63 Cb -0.15 -1.93 1.24 0.00 -0.45 0.00 0.00 34.95 33.66 2nug s ARG 63 CO 0.17 -1.58 2.10 1.05 -0.68 0.00 0.00 175.30 176.36 2nug h GLU 64 N -1.06 0.00 0.00 3.54 9.09 -1.98 -1.49 114.58 122.69 2nug h GLU 64 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.94 2nug h GLU 64 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 2nug h GLU 64 CO 0.62 0.07 0.00 0.78 0.05 0.00 0.00 179.01 180.52 2nug h GLY 65 N 0.22 0.00 0.22 1.06 0.00 -2.00 0.77 103.07 103.34 2nug h GLY 65 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 2nug h GLY 65 CO 0.01 0.00 -1.98 0.33 0.00 0.00 0.00 176.54 174.90 2nug n PHE 66 N -3.03 0.74 0.08 5.60 7.35 -0.63 -4.48 117.46 123.10 2nug n PHE 66 Ca 0.01 0.22 -0.10 0.00 -0.76 0.00 0.00 57.45 56.82 2nug n PHE 66 Cb 0.31 -1.09 -0.03 0.00 0.35 0.00 0.00 39.48 39.03 2nug n PHE 66 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2nug h LEU 67 N -0.42 0.31 -0.87 -2.13 3.38 -1.34 -3.35 115.31 110.90 2nug h LEU 67 Ca -0.48 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.15 2nug h LEU 67 Cb 1.74 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.37 2nug h LEU 67 CO -0.11 1.07 -0.07 -1.28 0.09 0.00 0.00 178.44 178.14 2nug h SER 68 N 0.12 0.75 -0.26 -0.43 0.87 -1.08 -0.87 113.55 112.65 2nug h SER 68 Ca -0.06 -0.20 -0.04 0.00 -1.23 0.00 0.00 61.79 60.26 2nug h SER 68 Cb 1.56 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 63.30 2nug h SER 68 CO 0.14 0.86 0.04 -0.65 -0.53 0.00 0.00 176.83 176.69 2nug h PRO 69 N 0.70 0.54 -0.13 2.24 0.11 -1.79 0.14 132.00 133.81 2nug h PRO 69 Ca 0.13 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 66.09 2nug h PRO 69 Cb 0.53 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.55 2nug h PRO 69 CO 0.03 0.54 -0.07 -0.07 -0.21 0.00 0.00 178.00 178.21 2nug h LEU 70 N 0.52 0.29 -0.68 2.35 3.38 -1.59 -3.09 115.31 116.49 2nug h LEU 70 Ca 0.12 -0.42 0.07 0.00 0.09 0.00 0.00 57.88 57.73 2nug h LEU 70 Cb 0.28 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 2nug h LEU 70 CO 0.00 0.65 0.37 0.50 0.09 0.00 0.00 178.44 180.05 2nug h LYS 71 N -0.06 0.64 -0.84 1.13 3.64 -0.67 -0.88 116.57 119.53 2nug h LYS 71 Ca 0.03 -0.04 0.18 0.00 -1.27 0.00 0.00 60.65 59.55 2nug h LYS 71 Cb 0.55 -0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.16 2nug h LYS 71 CO 0.02 0.43 0.56 0.00 -2.27 0.00 0.00 179.45 178.19 2nug h ALA 72 N 1.37 2.17 0.10 5.00 0.00 -0.67 -0.56 119.26 126.68 2nug h ALA 72 Ca 0.31 0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.96 2nug h ALA 72 Cb 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2nug h ALA 72 CO -0.20 -0.42 -1.40 -0.92 0.00 0.00 0.00 179.25 176.30 2nug h TYR 73 N 0.41 0.39 0.00 0.00 3.20 -1.37 -3.33 116.97 116.27 2nug h TYR 73 Ca 0.43 -0.29 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2nug h TYR 73 Cb 1.04 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.29 2nug h TYR 73 CO -0.00 1.55 0.00 -0.07 -1.64 0.00 0.00 178.16 178.00 2nug h LEU 74 N -0.36 0.00 -2.69 2.82 3.38 -0.51 -1.70 115.31 116.26 2nug h LEU 74 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2nug h LEU 74 Cb 1.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.47 2nug h LEU 74 CO 0.03 0.00 0.00 2.30 0.09 0.00 0.00 178.44 180.86 2nug n ILE 75 N -2.95 0.88 -2.12 1.22 -5.35 -0.28 -4.72 119.36 106.03 2nug n ILE 75 Ca -0.01 -0.94 -0.32 0.00 -0.27 0.00 0.00 62.75 61.21 2nug n ILE 75 Cb 0.17 0.60 -0.01 0.00 -1.74 0.00 0.00 39.64 38.66 2nug n ILE 75 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2nug s SER 76 N -1.03 6.33 0.26 7.28 1.04 -0.64 -4.90 113.70 122.03 2nug s SER 76 Ca 0.30 1.54 -0.03 0.00 0.48 0.00 0.00 55.95 58.24 2nug s SER 76 Cb 0.16 -2.50 0.41 0.00 0.10 0.00 0.00 66.02 64.19 2nug s SER 76 CO 0.21 -0.80 1.85 -0.08 0.98 0.00 0.00 173.24 175.40 2nug h GLU 77 N 0.33 0.96 -0.11 4.02 4.81 -1.93 -0.97 114.58 121.69 2nug h GLU 77 Ca -0.46 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 58.74 2nug h GLU 77 Cb 1.19 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.33 2nug h GLU 77 CO 0.61 0.64 -0.05 1.49 -0.73 0.00 0.00 179.01 180.97 2nug h GLU 78 N 0.99 -0.03 -0.46 1.92 4.81 -1.92 -1.15 114.58 118.73 2nug h GLU 78 Ca 0.42 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.55 2nug h GLU 78 Cb 0.27 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2nug h GLU 78 CO -0.21 -0.02 -0.12 0.35 -0.73 0.00 0.00 179.01 178.29 2nug h PHE 79 N -0.03 0.94 -0.30 0.92 3.57 -1.59 -2.50 116.94 117.95 2nug h PHE 79 Ca 0.06 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 2nug h PHE 79 Cb 0.12 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 2nug h PHE 79 CO -0.17 0.91 0.12 0.74 -2.23 0.00 0.00 178.31 177.68 2nug h PHE 80 N 0.76 0.40 -0.43 0.41 0.04 -0.85 -0.68 116.94 116.60 2nug h PHE 80 Ca 0.12 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.81 2nug h PHE 80 Cb 0.62 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.62 2nug h PHE 80 CO 0.04 0.32 -0.06 -0.91 -0.60 0.00 0.00 178.31 177.10 2nug h ASN 81 N 0.42 0.70 -0.36 2.17 2.35 -0.78 0.80 115.58 120.88 2nug h ASN 81 Ca 0.10 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.59 2nug h ASN 81 Cb 0.08 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 2nug h ASN 81 CO -0.01 0.81 -0.10 -0.07 -1.65 0.00 0.00 177.43 176.41 2nug h LEU 82 N 0.67 0.71 -0.83 1.61 3.38 -0.93 -2.57 115.31 117.35 2nug h LEU 82 Ca 0.12 -0.37 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 2nug h LEU 82 Cb 0.50 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2nug h LEU 82 CO 0.03 0.92 -0.16 -0.07 0.09 0.00 0.00 178.44 179.25 2nug h LEU 83 N 0.50 0.70 -1.64 1.67 3.38 -0.95 -2.86 115.31 116.11 2nug h LEU 83 Ca 0.09 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 2nug h LEU 83 Cb 0.61 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2nug h LEU 83 CO 0.04 0.87 -0.16 0.00 0.09 0.00 0.00 178.44 179.27 2nug h ALA 84 N 1.20 1.70 -0.94 1.53 0.00 -0.69 -2.58 119.26 119.48 2nug h ALA 84 Ca 0.10 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 54.96 2nug h ALA 84 Cb 0.62 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 2nug h ALA 84 CO 0.04 0.23 0.60 1.96 0.00 0.00 0.00 179.25 182.08 2nug h GLN 85 N 0.02 0.90 -0.01 0.00 4.20 -1.21 0.19 115.11 119.19 2nug h GLN 85 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2nug h GLN 85 Cb 0.31 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 2nug h GLN 85 CO 0.02 0.59 0.06 -0.22 -0.67 0.00 0.00 178.83 178.61 2nug h LYS 86 N 0.93 0.00 -0.02 1.46 3.64 -1.58 0.68 116.57 121.67 2nug h LYS 86 Ca 0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 2nug h LYS 86 Cb 0.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2nug h LYS 86 CO -0.21 0.00 -0.01 1.28 -2.27 0.00 0.00 179.45 178.25 2nug n LEU 87 N -3.24 2.38 -3.12 5.20 4.77 0.60 -4.94 117.00 118.64 2nug n LEU 87 Ca -0.03 -0.99 -0.20 0.00 -0.03 0.00 0.00 56.01 54.76 2nug n LEU 87 Cb 0.13 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2nug n LEU 87 CO 0.21 0.42 -0.06 -0.62 -1.33 0.00 0.00 177.39 176.01 2nug n GLU 88 N 0.92 -3.12 -0.34 3.23 1.02 0.23 -4.78 120.64 117.80 2nug n GLU 88 Ca 0.10 0.48 0.23 0.00 -0.02 0.00 0.00 57.16 57.95 2nug n GLU 88 Cb 0.42 -5.15 0.47 0.00 -0.02 0.00 0.00 31.44 27.15 2nug n GLU 88 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2nug h LEU 89 N -0.72 0.54 -2.00 -4.62 5.85 -1.77 -0.74 115.31 111.85 2nug h LEU 89 Ca -0.38 0.17 0.18 0.00 0.84 0.00 0.00 57.88 58.69 2nug h LEU 89 Cb 1.26 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.37 2nug h LEU 89 CO 0.47 -0.07 0.45 1.12 -0.34 0.00 0.00 178.44 180.07 2nug h HIS 90 N 0.38 0.00 0.00 1.25 2.07 -1.86 -0.72 115.15 116.26 2nug h HIS 90 Ca 0.71 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.23 2nug h HIS 90 Cb 1.61 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.59 2nug h HIS 90 CO -0.01 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 176.48 2nug n LYS 91 N -4.34 0.14 0.00 5.12 5.02 -0.28 -3.51 118.16 120.31 2nug n LYS 91 Ca 0.12 0.06 0.05 0.00 -2.02 0.00 0.00 58.31 56.51 2nug n LYS 91 Cb 0.70 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 34.16 2nug n LYS 91 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2nug n PHE 92 N -1.42 0.00 -2.22 2.13 3.72 -0.28 -5.01 117.46 114.38 2nug n PHE 92 Ca 0.08 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.07 2nug n PHE 92 Cb 0.26 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.77 2nug n PHE 92 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2nug s ILE 93 N -1.84 3.40 -0.53 4.37 1.01 -1.18 -4.90 121.20 121.54 2nug s ILE 93 Ca 0.04 1.04 -0.19 0.00 0.00 0.00 0.00 60.65 61.54 2nug s ILE 93 Cb 0.07 -3.67 0.07 0.00 0.01 0.00 0.00 42.46 38.95 2nug s ILE 93 CO 0.38 0.10 0.62 -0.13 0.00 0.00 0.00 174.94 175.90 2nug s ARG 94 N 0.82 3.08 -0.01 2.79 0.52 0.93 -4.97 118.95 122.10 2nug s ARG 94 Ca 0.62 -1.08 -0.28 0.00 -0.52 0.00 0.00 55.73 54.46 2nug s ARG 94 Cb -0.35 -4.15 0.10 0.00 0.52 0.00 0.00 34.95 31.06 2nug s ARG 94 CO 0.32 -1.29 0.83 -1.50 0.02 0.00 0.00 175.30 173.68 2nug s ILE 95 N 2.50 0.00 0.26 1.52 2.07 -1.26 -1.81 121.20 124.48 2nug s ILE 95 Ca 0.12 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.07 2nug s ILE 95 Cb -0.21 -1.00 -0.14 0.00 0.13 0.00 0.00 42.46 41.23 2nug s ILE 95 CO 0.09 0.00 1.06 1.17 -1.91 0.00 0.00 174.94 175.35 2nug n LYS 96 N 0.08 1.33 -1.67 3.50 4.81 -1.26 -4.82 118.16 120.13 2nug n LYS 96 Ca -0.12 0.47 -0.46 0.00 -0.87 0.00 0.00 58.31 57.33 2nug n LYS 96 Cb 0.61 -1.87 -0.04 0.00 0.02 0.00 0.00 35.03 33.74 2nug n LYS 96 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2nug n ARG 97 N 1.01 2.10 -0.76 1.64 1.74 -1.26 -1.58 116.66 119.56 2nug n ARG 97 Ca 0.11 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 57.95 2nug n ARG 97 Cb 0.30 -2.52 0.00 0.00 -1.02 0.00 0.00 32.46 29.22 2nug n ARG 97 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nug n GLY 98 N 3.40 0.80 0.15 -0.13 0.00 -1.26 -4.90 105.19 103.25 2nug n GLY 98 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 2nug n GLY 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2nug n LYS 99 N -2.23 0.40 -2.40 1.61 4.76 -0.62 -4.94 118.16 114.74 2nug n LYS 99 Ca 0.00 -0.30 -0.41 0.00 -2.87 0.00 0.00 58.31 54.72 2nug n LYS 99 Cb 0.00 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.66 2nug n LYS 99 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2nug s ILE 100 N -2.81 3.75 0.27 -0.18 1.01 -1.26 -4.99 121.20 116.99 2nug s ILE 100 Ca 0.13 1.39 0.05 0.00 0.00 0.00 0.00 60.65 62.22 2nug s ILE 100 Cb 0.17 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 2nug s ILE 100 CO 0.72 0.19 0.27 -0.46 0.00 0.00 0.00 174.94 175.65 2nug n ASN 101 N 2.98 -0.70 -0.06 3.58 0.23 -1.26 -5.04 115.26 114.99 2nug n ASN 101 Ca 0.06 -2.74 0.03 0.00 -0.53 0.00 0.00 54.58 51.41 2nug n ASN 101 Cb 0.45 1.52 0.38 0.00 -2.08 0.00 0.00 39.78 40.05 2nug n ASN 101 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2nug h GLU 102 N 0.00 0.66 -0.22 -3.83 3.07 -1.99 -1.93 114.58 110.34 2nug h GLU 102 Ca -0.20 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.61 2nug h GLU 102 Cb 0.98 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.73 2nug h GLU 102 CO 0.28 0.44 0.08 1.15 -1.40 0.00 0.00 179.01 179.56 2nug h THR 103 N 0.68 1.18 -0.26 1.13 2.02 -1.96 -1.17 112.91 114.53 2nug h THR 103 Ca 0.19 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 2nug h THR 103 Cb -0.05 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 2nug h THR 103 CO -0.04 0.18 0.11 0.40 0.37 0.00 0.00 175.52 176.54 2nug h ILE 104 N 0.19 1.16 -0.79 3.11 1.08 -1.85 -1.37 117.51 119.03 2nug h ILE 104 Ca 0.07 -0.47 0.01 0.00 -0.39 0.00 0.00 64.86 64.08 2nug h ILE 104 Cb 0.20 1.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.91 2nug h ILE 104 CO -0.00 0.16 0.52 0.40 -0.69 0.00 0.00 178.15 178.54 2nug h ILE 105 N 0.27 1.18 -0.52 -0.67 2.04 -1.30 -0.19 117.51 118.32 2nug h ILE 105 Ca 0.09 -0.36 -0.08 0.00 1.00 0.00 0.00 64.86 65.50 2nug h ILE 105 Cb 0.15 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 2nug h ILE 105 CO -0.01 0.19 -0.01 1.23 0.00 0.00 0.00 178.15 179.55 2nug h GLY 106 N 1.05 0.96 1.01 5.37 0.00 -1.00 -1.26 103.07 109.21 2nug h GLY 106 Ca 0.30 -0.68 -0.13 0.00 0.00 0.00 0.00 47.33 46.82 2nug h GLY 106 CO -0.07 0.62 -0.29 -0.55 0.00 0.00 0.00 176.54 176.25 2nug h ASP 107 N 0.82 0.82 -0.39 0.19 3.32 -0.72 -2.82 116.42 117.63 2nug h ASP 107 Ca 0.15 -0.46 -0.07 0.00 0.02 0.00 0.00 57.03 56.67 2nug h ASP 107 Cb 0.51 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 2nug h ASP 107 CO 0.03 1.10 -0.00 0.58 -1.72 0.00 0.00 179.24 179.23 2nug h VAL 108 N 0.54 1.24 -0.37 -1.35 2.07 -0.92 -1.13 116.25 116.34 2nug h VAL 108 Ca 0.06 -1.00 0.03 0.00 0.82 0.00 0.00 66.70 66.61 2nug h VAL 108 Cb 0.86 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 2nug h VAL 108 CO 0.07 0.35 0.18 0.15 0.02 0.00 0.00 177.57 178.34 2nug h PHE 109 N 0.73 0.32 -0.38 1.57 3.57 -1.13 0.27 116.94 121.89 2nug h PHE 109 Ca 0.14 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 2nug h PHE 109 Cb 0.45 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 2nug h PHE 109 CO 0.02 0.17 0.04 0.93 -2.23 0.00 0.00 178.31 177.24 2nug h GLU 110 N 0.36 0.65 -0.79 1.11 5.08 -1.23 -2.99 114.58 116.76 2nug h GLU 110 Ca 0.16 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2nug h GLU 110 Cb 0.08 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 2nug h GLU 110 CO -0.12 0.72 0.42 0.00 -1.00 0.00 0.00 179.01 179.04 2nug h ALA 111 N 0.90 1.26 -0.92 3.43 0.00 -0.76 -2.51 119.26 120.66 2nug h ALA 111 Ca 0.11 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2nug h ALA 111 Cb 0.40 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 2nug h ALA 111 CO 0.01 0.60 0.60 1.25 0.00 0.00 0.00 179.25 181.71 2nug h LEU 112 N 1.11 1.01 -0.67 0.00 5.85 -0.34 -0.07 115.31 122.20 2nug h LEU 112 Ca 0.28 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.84 2nug h LEU 112 Cb 0.04 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 2nug h LEU 112 CO -0.04 0.70 -0.60 -0.50 -0.34 0.00 0.00 178.44 177.66 2nug h TRP 113 N 1.18 0.28 -0.22 1.25 4.06 -1.33 -1.76 115.95 119.41 2nug h TRP 113 Ca 0.36 -0.11 -0.11 0.00 2.06 0.00 0.00 58.89 61.10 2nug h TRP 113 Cb -0.03 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.07 2nug h TRP 113 CO -0.01 0.76 -0.32 0.00 -3.56 0.00 0.00 178.44 175.31 2nug h ALA 114 N 1.21 1.04 -0.46 1.49 0.00 -1.00 -1.37 119.26 120.18 2nug h ALA 114 Ca -0.01 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 2nug h ALA 114 Cb 1.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2nug h ALA 114 CO 0.09 0.59 0.07 0.00 0.00 0.00 0.00 179.25 180.00 2nug h ALA 115 N 1.27 0.61 -0.39 0.00 0.00 -0.60 -0.13 119.26 120.02 2nug h ALA 115 Ca 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2nug h ALA 115 Cb 0.76 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2nug h ALA 115 CO 0.06 0.33 0.11 0.28 0.00 0.00 0.00 179.25 180.03 2nug h VAL 116 N 0.62 1.22 -0.12 0.00 2.07 -1.17 0.65 116.25 119.53 2nug h VAL 116 Ca 0.14 -0.73 0.03 0.00 0.82 0.00 0.00 66.70 66.96 2nug h VAL 116 Cb 0.39 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 2nug h VAL 116 CO 0.01 0.25 -0.08 0.22 0.02 0.00 0.00 177.57 177.99 2nug h TYR 117 N 0.48 -0.20 -0.22 1.57 3.20 -1.01 -0.23 116.97 120.56 2nug h TYR 117 Ca 0.12 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 2nug h TYR 117 Cb 0.27 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 2nug h TYR 117 CO 0.01 -0.13 -0.02 0.82 -1.64 0.00 0.00 178.16 177.20 2nug h ILE 118 N -0.09 1.27 -0.10 1.81 2.04 -0.89 0.17 117.51 121.72 2nug h ILE 118 Ca 0.07 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 2nug h ILE 118 Cb 0.20 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 2nug h ILE 118 CO -0.17 0.29 0.04 -0.78 0.00 0.00 0.00 178.15 177.53 2nug h ASP 119 N 0.15 0.12 0.00 1.72 3.58 -0.66 -0.62 116.42 120.71 2nug h ASP 119 Ca 0.06 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2nug h ASP 119 Cb 0.44 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.46 2nug h ASP 119 CO 0.02 0.12 0.00 -1.54 -2.88 0.00 0.00 179.24 174.95 2nug n SER 120 N -4.49 0.00 -0.06 2.28 3.41 -0.12 -4.77 113.62 109.87 2nug n SER 120 Ca -0.01 -1.34 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 2nug n SER 120 Cb 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 2nug n SER 120 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2nug n GLY 121 N 0.73 0.85 3.56 5.00 0.00 -0.25 -4.00 105.19 111.09 2nug n GLY 121 Ca 0.14 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 2nug n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nug n ARG 122 N -0.89 -6.65 -3.08 1.61 1.74 0.59 -4.93 116.66 105.06 2nug n ARG 122 Ca 0.00 0.79 -0.45 0.00 -0.77 0.00 0.00 57.85 57.42 2nug n ARG 122 Cb 0.36 -5.73 -0.03 0.00 -1.02 0.00 0.00 32.46 26.04 2nug n ARG 122 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2nug s ASP 123 N -3.98 6.42 0.26 0.55 -1.08 -1.22 -4.88 116.67 112.74 2nug s ASP 123 Ca 0.22 -1.81 0.00 0.00 -0.52 0.00 0.00 52.55 50.44 2nug s ASP 123 Cb -0.10 -2.32 0.34 0.00 -1.46 0.00 0.00 42.92 39.38 2nug s ASP 123 CO 0.75 -1.03 1.70 0.00 0.52 0.00 0.00 175.17 177.11 2nug h ALA 124 N 8.85 1.04 -0.02 3.66 0.00 -1.91 -1.92 119.26 128.96 2nug h ALA 124 Ca -0.09 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 2nug h ALA 124 Cb 1.06 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2nug h ALA 124 CO 1.05 0.58 0.01 -0.91 0.00 0.00 0.00 179.25 179.97 2nug h ASN 125 N 0.51 0.03 -0.12 0.00 2.35 -1.99 0.35 115.58 116.72 2nug h ASN 125 Ca 0.08 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.66 2nug h ASN 125 Cb 0.67 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 2nug h ASN 125 CO 0.05 0.19 0.07 0.15 -1.65 0.00 0.00 177.43 176.23 2nug h PHE 126 N -0.12 0.16 -0.72 1.19 3.57 -1.97 -1.86 116.94 117.18 2nug h PHE 126 Ca 0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2nug h PHE 126 Cb 0.16 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 2nug h PHE 126 CO -0.02 0.16 0.36 1.15 -2.23 0.00 0.00 178.31 177.73 2nug h THR 127 N 0.11 1.23 -0.33 4.41 2.02 -1.29 -0.72 112.91 118.33 2nug h THR 127 Ca 0.04 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 2nug h THR 127 Cb 0.05 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 2nug h THR 127 CO -0.01 0.26 0.20 -0.09 0.37 0.00 0.00 175.52 176.25 2nug h ARG 128 N 1.02 0.46 -0.06 6.66 2.43 -0.68 -1.26 114.38 122.95 2nug h ARG 128 Ca 0.25 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.29 2nug h ARG 128 Cb 0.08 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2nug h ARG 128 CO -0.03 0.36 -0.36 0.93 -1.51 0.00 0.00 179.97 179.35 2nug h GLU 129 N 0.43 0.13 -0.46 0.20 4.39 -0.86 -0.92 114.58 117.48 2nug h GLU 129 Ca 0.12 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.65 2nug h GLU 129 Cb 0.02 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2nug h GLU 129 CO -0.02 0.47 -0.19 1.25 -1.16 0.00 0.00 179.01 179.37 2nug h LEU 130 N 0.11 0.95 -0.49 1.33 5.85 -0.81 0.86 115.31 123.12 2nug h LEU 130 Ca 0.01 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 2nug h LEU 130 Cb 0.69 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 2nug h LEU 130 CO 0.05 1.13 0.23 0.15 -0.34 0.00 0.00 178.44 179.67 2nug h PHE 131 N 0.77 0.70 -0.51 1.25 3.57 -0.86 -2.62 116.94 119.25 2nug h PHE 131 Ca 0.11 -0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.46 2nug h PHE 131 Cb 0.76 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 2nug h PHE 131 CO 0.05 0.56 -0.11 1.88 -2.23 0.00 0.00 178.31 178.46 2nug h TYR 132 N 0.64 1.05 -0.93 0.41 0.05 -0.95 0.25 116.97 117.49 2nug h TYR 132 Ca 0.17 -0.21 0.10 0.00 0.05 0.00 0.00 58.73 58.84 2nug h TYR 132 Cb 0.12 -0.26 -0.07 0.00 1.01 0.00 0.00 36.73 37.52 2nug h TYR 132 CO -0.01 0.99 0.60 -0.22 -1.05 0.00 0.00 178.16 178.47 2nug h LYS 133 N 0.85 0.91 0.16 4.88 1.63 -0.59 0.25 116.57 124.65 2nug h LYS 133 Ca 0.13 -0.05 -0.34 0.00 -0.85 0.00 0.00 60.65 59.54 2nug h LYS 133 Cb 0.65 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 2nug h LYS 133 CO 0.05 0.60 -1.68 -0.07 -3.45 0.00 0.00 179.45 174.89 2nug h LEU 134 N 0.93 0.53 -0.27 5.20 3.38 -1.11 -3.43 115.31 120.54 2nug h LEU 134 Ca 0.44 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2nug h LEU 134 Cb 0.43 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2nug h LEU 134 CO -0.20 1.66 0.00 0.49 0.09 0.00 0.00 178.44 180.48 2nug n PHE 135 N -3.54 0.00 -0.06 1.13 3.72 0.83 -4.78 117.46 114.77 2nug n PHE 135 Ca -0.22 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.11 2nug n PHE 135 Cb 1.07 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.60 2nug n PHE 135 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2nug h LYS 136 N 0.00 -0.12 -0.55 -1.08 3.64 -1.08 -0.64 116.57 116.73 2nug h LYS 136 Ca 0.00 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 2nug h LYS 136 Cb 0.02 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 2nug h LYS 136 CO 0.00 -0.08 0.08 0.93 -2.27 0.00 0.00 179.45 178.11 2nug h GLU 137 N -0.13 0.89 -0.74 1.90 4.39 -1.88 -1.01 114.58 118.01 2nug h GLU 137 Ca 0.14 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2nug h GLU 137 Cb 0.34 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 2nug h GLU 137 CO -0.34 0.83 0.48 -0.44 -1.16 0.00 0.00 179.01 178.38 2nug h ASP 138 N 0.84 0.85 -0.04 1.42 3.32 -1.71 -0.06 116.42 121.04 2nug h ASP 138 Ca 0.17 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 2nug h ASP 138 Cb 0.38 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 2nug h ASP 138 CO 0.01 0.63 -0.03 0.40 -1.72 0.00 0.00 179.24 178.53 2nug h ILE 139 N 1.00 1.36 -0.31 0.35 2.04 -0.77 -2.13 117.51 119.05 2nug h ILE 139 Ca 0.27 -1.13 -0.07 0.00 1.00 0.00 0.00 64.86 64.93 2nug h ILE 139 Cb -0.10 2.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 2nug h ILE 139 CO -0.06 0.31 -0.09 -0.07 0.00 0.00 0.00 178.15 178.24 2nug h LEU 140 N -0.35 0.49 -0.35 1.44 3.38 -1.11 -2.36 115.31 116.46 2nug h LEU 140 Ca 0.01 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 2nug h LEU 140 Cb 0.51 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2nug h LEU 140 CO 0.01 0.63 -0.31 0.77 0.09 0.00 0.00 178.44 179.63 2nug h SER 141 N 0.48 0.87 -0.82 -0.43 4.64 -1.02 -1.74 113.55 115.52 2nug h SER 141 Ca 0.09 -0.46 0.06 0.00 -0.47 0.00 0.00 61.79 61.02 2nug h SER 141 Cb 0.45 -0.24 -0.06 0.00 -0.31 0.00 0.00 62.40 62.24 2nug h SER 141 CO 0.02 1.15 0.50 0.00 -0.87 0.00 0.00 176.83 177.63 2nug h ALA 142 N 0.75 1.13 0.11 5.18 0.00 -1.07 -0.77 119.26 124.58 2nug h ALA 142 Ca 0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2nug h ALA 142 Cb 0.89 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2nug h ALA 142 CO 0.08 0.22 -0.05 0.82 0.00 0.00 0.00 179.25 180.32 2nug h ILE 143 N 0.90 1.07 -0.42 0.00 2.04 -1.27 0.10 117.51 119.94 2nug h ILE 143 Ca 0.36 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 2nug h ILE 143 Cb 0.19 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 2nug h ILE 143 CO -0.18 0.18 0.21 0.11 0.00 0.00 0.00 178.15 178.46 2nug h LYS 144 N -0.49 0.57 -0.01 2.37 1.57 -1.09 -2.48 116.57 117.00 2nug h LYS 144 Ca -0.01 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2nug h LYS 144 Cb 0.40 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2nug h LYS 144 CO 0.02 0.44 -0.09 0.39 -0.57 0.00 0.00 179.45 179.65 2nug n GLU 145 N -4.41 1.19 -1.13 3.15 1.02 -0.31 -4.92 120.64 115.22 2nug n GLU 145 Ca 0.03 -0.60 -0.04 0.00 -0.02 0.00 0.00 57.16 56.53 2nug n GLU 145 Cb 0.11 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.02 2nug n GLU 145 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2nug n GLY 146 N 1.22 0.72 2.45 0.62 0.00 -0.94 -4.92 105.19 104.34 2nug n GLY 146 Ca 0.17 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 2nug n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nug n ARG 147 N -2.86 4.36 -4.61 1.61 1.74 0.33 -4.83 116.66 112.39 2nug n ARG 147 Ca -0.04 -3.20 -0.27 0.00 -0.77 0.00 0.00 57.85 53.57 2nug n ARG 147 Cb 0.15 -2.64 -0.17 0.00 -1.02 0.00 0.00 32.46 28.78 2nug n ARG 147 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2nug s VAL 148 N -0.63 1.33 0.14 1.55 1.01 -1.26 -4.75 120.40 117.79 2nug s VAL 148 Ca 0.57 -0.58 -0.32 0.00 0.00 0.00 0.00 61.98 61.65 2nug s VAL 148 Cb 0.19 -1.21 -0.12 0.00 0.00 0.00 0.00 36.38 35.25 2nug s VAL 148 CO -0.09 0.40 1.75 1.17 0.00 0.00 0.00 175.10 178.33 2nug n LYS 149 N 3.91 2.59 -2.93 2.72 4.81 -1.26 -4.96 118.16 123.05 2nug n LYS 149 Ca -0.21 0.94 -0.35 0.00 -0.87 0.00 0.00 58.31 57.82 2nug n LYS 149 Cb 0.52 -2.79 -0.06 0.00 0.02 0.00 0.00 35.03 32.71 2nug n LYS 149 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2nug s LYS 150 N 2.00 4.34 -0.98 1.64 1.02 -1.26 -4.94 119.74 121.56 2nug s LYS 150 Ca 0.80 1.07 -0.15 0.00 0.02 0.00 0.00 55.97 57.72 2nug s LYS 150 Cb -0.55 -2.65 0.20 0.00 -0.52 0.00 0.00 37.83 34.30 2nug s LYS 150 CO 0.37 0.24 1.05 0.34 -0.92 0.00 0.00 175.35 176.43 2nug s ASP 151 N -1.82 6.88 0.31 2.83 -1.08 -1.26 -4.90 116.67 117.63 2nug s ASP 151 Ca 0.51 -2.71 0.00 0.00 -0.52 0.00 0.00 52.55 49.83 2nug s ASP 151 Cb -0.15 -2.30 0.51 0.00 -1.46 0.00 0.00 42.92 39.52 2nug s ASP 151 CO 0.20 -0.70 1.92 1.88 0.52 0.00 0.00 175.17 178.99 2nug h TYR 152 N 7.79 0.83 -0.56 -5.34 0.05 -1.94 -1.08 116.97 116.73 2nug h TYR 152 Ca 0.17 -0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.87 2nug h TYR 152 Cb 0.98 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 38.43 2nug h TYR 152 CO 1.04 0.61 0.13 0.87 -1.05 0.00 0.00 178.16 179.75 2nug h LYS 153 N 0.84 0.90 -0.19 4.88 1.57 -1.89 0.39 116.57 123.08 2nug h LYS 153 Ca 0.21 -0.22 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 2nug h LYS 153 Cb 0.08 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 2nug h LYS 153 CO -0.03 0.85 -0.30 1.15 -0.57 0.00 0.00 179.45 180.55 2nug h THR 154 N 0.80 1.34 -0.47 -0.16 2.02 -1.93 -2.57 112.91 111.94 2nug h THR 154 Ca 0.17 -1.52 0.03 0.00 0.77 0.00 0.00 66.41 65.87 2nug h THR 154 Cb 0.36 1.86 -0.04 0.00 -1.74 0.00 0.00 68.15 68.59 2nug h THR 154 CO 0.00 0.46 0.25 0.40 0.37 0.00 0.00 175.52 177.00 2nug h ILE 155 N 0.19 0.98 -0.23 3.11 2.04 -1.11 -2.15 117.51 120.34 2nug h ILE 155 Ca 0.02 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.73 2nug h ILE 155 Cb 0.88 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 2nug h ILE 155 CO 0.07 0.09 0.09 0.25 0.00 0.00 0.00 178.15 178.65 2nug h LEU 156 N 0.49 0.11 -1.61 1.44 5.85 -0.89 -1.55 115.31 119.16 2nug h LEU 156 Ca 0.20 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 2nug h LEU 156 Cb 0.09 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 2nug h LEU 156 CO -0.13 0.10 -0.08 0.06 -0.34 0.00 0.00 178.44 178.05 2nug h GLN 157 N 0.21 0.00 -0.00 1.25 3.07 -1.21 -0.90 115.11 117.53 2nug h GLN 157 Ca 0.10 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.64 2nug h GLN 157 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.61 2nug h GLN 157 CO -0.09 0.08 -0.87 0.93 0.09 0.00 0.00 178.83 178.96 2nug h GLU 158 N 0.00 0.25 -0.08 0.06 5.08 -0.80 0.31 114.58 119.41 2nug h GLU 158 Ca -0.00 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 2nug h GLU 158 Cb 0.49 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2nug h GLU 158 CO 0.01 0.98 -0.02 0.82 -1.00 0.00 0.00 179.01 179.79 2nug h ILE 159 N 0.15 1.30 -0.12 3.13 2.04 -0.41 -1.99 117.51 121.62 2nug h ILE 159 Ca -0.05 -0.97 -0.13 0.00 1.00 0.00 0.00 64.86 64.71 2nug h ILE 159 Cb 1.49 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 39.36 2nug h ILE 159 CO 0.14 0.27 -0.48 0.71 0.00 0.00 0.00 178.15 178.78 2nug h THR 160 N -0.20 1.34 -0.02 -0.27 1.35 -1.22 -2.12 112.91 111.77 2nug h THR 160 Ca 0.02 -1.70 -0.14 0.00 -0.55 0.00 0.00 66.41 64.03 2nug h THR 160 Cb 0.44 1.78 -0.02 0.00 -1.73 0.00 0.00 68.15 68.63 2nug h THR 160 CO 0.01 0.51 -0.64 1.56 -0.25 0.00 0.00 175.52 176.71 2nug h GLN 161 N 0.24 0.09 -0.11 4.72 4.20 -0.61 0.19 115.11 123.84 2nug h GLN 161 Ca 0.01 -0.07 -0.20 0.00 0.06 0.00 0.00 58.65 58.45 2nug h GLN 161 Cb 0.95 0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.75 2nug h GLN 161 CO 0.08 0.70 -0.72 -0.22 -0.67 0.00 0.00 178.83 178.01 2nug h LYS 162 N 0.07 0.68 0.09 1.46 3.64 -1.24 -0.12 116.57 121.14 2nug h LYS 162 Ca -0.01 -0.58 -0.21 0.00 -1.27 0.00 0.00 60.65 58.58 2nug h LYS 162 Cb 1.15 0.13 0.02 0.00 -0.41 0.00 0.00 32.23 33.12 2nug h LYS 162 CO 0.09 1.20 -0.86 -0.09 -2.27 0.00 0.00 179.45 177.52 2nug h ARG 163 N 0.35 0.42 0.00 1.90 2.43 -1.34 -3.40 114.38 114.74 2nug h ARG 163 Ca -0.06 -0.57 0.00 0.00 -0.81 0.00 0.00 59.98 58.54 2nug h ARG 163 Cb 1.36 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 31.10 2nug h ARG 163 CO 0.15 1.23 0.00 0.91 -1.51 0.00 0.00 179.97 180.75 2nug n TRP 164 N -4.07 0.00 -3.22 2.20 8.01 0.65 -5.00 117.44 116.01 2nug n TRP 164 Ca -0.13 -0.04 -0.23 0.00 -1.31 0.00 0.00 57.50 55.79 2nug n TRP 164 Cb 0.82 -0.00 0.03 0.00 -2.01 0.00 0.00 31.31 30.14 2nug n TRP 164 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 2nug n LYS 165 N -0.04 -5.02 -4.12 -0.99 5.02 -0.06 -4.95 118.16 108.01 2nug n LYS 165 Ca 0.00 0.79 -0.12 0.00 -2.02 0.00 0.00 58.31 56.97 2nug n LYS 165 Cb 0.09 -5.65 -0.11 0.00 -0.02 0.00 0.00 35.03 29.34 2nug n LYS 165 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2nug s GLU 166 N -5.90 0.69 0.11 1.97 2.02 -1.20 -4.93 118.70 111.46 2nug s GLU 166 Ca 0.38 -1.08 0.05 0.00 0.02 0.00 0.00 54.97 54.34 2nug s GLU 166 Cb -0.18 -0.24 -0.04 0.00 0.10 0.00 0.00 34.13 33.77 2nug s GLU 166 CO 0.47 0.01 0.05 1.03 0.02 0.00 0.00 175.26 176.84 2nug s ARG 167 N -2.83 2.69 0.84 1.61 0.52 -1.26 -2.48 118.95 118.03 2nug s ARG 167 Ca 0.02 -0.84 -0.11 0.00 -0.52 0.00 0.00 55.73 54.28 2nug s ARG 167 Cb -0.01 -2.59 0.09 0.00 0.52 0.00 0.00 34.95 32.96 2nug s ARG 167 CO -0.03 0.53 1.09 -1.25 0.02 0.00 0.00 175.30 175.66 2nug s PRO 168 N -2.57 1.75 0.09 3.54 0.04 -1.26 -4.95 135.00 131.63 2nug s PRO 168 Ca 0.28 0.94 0.09 0.00 0.04 0.00 0.00 61.00 62.35 2nug s PRO 168 Cb -0.11 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 2nug s PRO 168 CO 0.20 -1.93 -0.25 -1.21 0.04 0.00 0.00 177.00 173.85 2nug s GLU 169 N -4.95 1.45 0.01 4.56 2.02 -0.16 -4.94 118.70 116.69 2nug s GLU 169 Ca 0.62 -1.18 0.06 0.00 0.02 0.00 0.00 54.97 54.49 2nug s GLU 169 Cb -0.17 -1.76 -0.02 0.00 0.10 0.00 0.00 34.13 32.28 2nug s GLU 169 CO 0.56 0.43 -0.19 0.71 0.02 0.00 0.00 175.26 176.79 2nug s TYR 170 N -0.97 1.70 0.02 1.61 2.02 -1.26 -0.68 117.35 119.79 2nug s TYR 170 Ca 0.11 -0.34 -0.07 0.00 -0.37 0.00 0.00 57.07 56.40 2nug s TYR 170 Cb -0.10 -1.05 -0.00 0.00 -0.40 0.00 0.00 41.96 40.41 2nug s TYR 170 CO 0.04 0.02 0.12 -0.98 -1.57 0.00 0.00 175.55 173.18 2nug s ARG 171 N -0.78 0.53 0.04 -0.62 1.70 -0.75 -4.98 118.95 114.10 2nug s ARG 171 Ca 0.07 -0.54 -0.30 0.00 -0.47 0.00 0.00 55.73 54.49 2nug s ARG 171 Cb -0.08 0.21 -0.04 0.00 -0.57 0.00 0.00 34.95 34.47 2nug s ARG 171 CO 0.00 -0.13 0.97 -1.17 -1.08 0.00 0.00 175.30 173.89 2nug s LEU 172 N -1.68 4.42 -0.26 -1.89 2.96 -1.26 -0.96 118.68 120.01 2nug s LEU 172 Ca -0.11 1.70 -0.04 0.00 -0.22 0.00 0.00 54.13 55.46 2nug s LEU 172 Cb -0.05 -3.57 -0.14 0.00 0.50 0.00 0.00 46.19 42.93 2nug s LEU 172 CO -0.01 -0.18 -0.27 -0.38 -1.32 0.00 0.00 176.35 174.20 2nug n ILE 173 N 3.43 1.43 -3.46 6.68 2.08 0.32 -4.91 119.36 124.93 2nug n ILE 173 Ca 0.04 -0.48 -0.13 0.00 0.56 0.00 0.00 62.75 62.74 2nug n ILE 173 Cb 0.50 -1.56 -0.03 0.00 -0.75 0.00 0.00 39.64 37.80 2nug n ILE 173 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2nug s SER 174 N -6.78 -0.57 -0.02 4.38 1.04 -0.98 -5.01 113.70 105.76 2nug s SER 174 Ca -0.35 0.22 -0.00 0.00 0.48 0.00 0.00 55.95 56.30 2nug s SER 174 Cb 0.11 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.81 2nug s SER 174 CO 0.53 -0.81 0.03 -0.69 0.98 0.00 0.00 173.24 173.28 2nug s VAL 175 N -2.86 -0.05 0.25 5.02 1.01 -1.26 -1.13 120.40 121.39 2nug s VAL 175 Ca -0.02 0.20 -0.00 0.00 0.00 0.00 0.00 61.98 62.15 2nug s VAL 175 Cb -0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 36.38 36.27 2nug s VAL 175 CO -0.05 0.08 0.24 -1.83 0.00 0.00 0.00 175.10 173.54 2nug s GLU 176 N 0.97 1.45 0.00 2.72 -1.05 -0.77 -4.97 118.70 117.06 2nug s GLU 176 Ca -0.08 -1.70 0.00 0.00 -0.15 0.00 0.00 54.97 53.04 2nug s GLU 176 Cb -0.12 0.32 0.00 0.00 -0.44 0.00 0.00 34.13 33.90 2nug s GLU 176 CO -0.03 -0.53 0.00 0.41 0.95 0.00 0.00 175.26 176.07 2nug n GLY 177 N -0.40 -0.68 3.66 -3.83 0.00 -1.26 -1.15 105.19 101.54 2nug n GLY 177 Ca 0.03 -1.71 -0.35 0.00 0.00 0.00 0.00 46.02 43.99 2nug n GLY 177 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2nug n PRO 178 N -0.74 0.42 0.26 1.61 -0.02 -1.26 -4.68 135.00 130.59 2nug n PRO 178 Ca 0.00 0.21 0.09 0.00 -2.02 0.00 0.00 63.50 61.78 2nug n PRO 178 Cb 0.00 -2.36 0.67 0.00 -0.02 0.00 0.00 33.50 31.79 2nug n PRO 178 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2nug h HIS 179 N -0.48 0.00 -0.31 6.00 3.86 -2.00 -0.52 115.15 121.70 2nug h HIS 179 Ca -0.47 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 2nug h HIS 179 Cb 1.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.79 2nug h HIS 179 CO 0.43 0.07 0.00 -2.39 0.86 0.00 0.00 177.93 176.90 2nug n HIS 180 N -4.24 0.40 -2.69 2.45 1.44 -1.26 -4.13 115.22 107.20 2nug n HIS 180 Ca -0.03 -0.20 -0.07 0.00 -2.01 0.00 0.00 57.72 55.41 2nug n HIS 180 Cb 0.15 0.00 0.08 0.00 0.12 0.00 0.00 29.99 30.34 2nug n HIS 180 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2nug n LYS 181 N 0.73 1.20 -1.91 -1.40 4.81 -0.30 -5.14 118.16 116.15 2nug n LYS 181 Ca 0.16 -2.47 -0.33 0.00 -0.87 0.00 0.00 58.31 54.80 2nug n LYS 181 Cb 0.40 -0.59 0.03 0.00 0.02 0.00 0.00 35.03 34.89 2nug n LYS 181 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2nug s LYS 182 N -1.37 3.06 -0.11 1.64 1.02 -0.62 -4.02 119.74 119.34 2nug s LYS 182 Ca 0.24 1.32 0.01 0.00 0.02 0.00 0.00 55.97 57.56 2nug s LYS 182 Cb 0.43 -1.99 0.02 0.00 -0.52 0.00 0.00 37.83 35.76 2nug s LYS 182 CO -0.03 -1.03 -0.12 0.21 -0.92 0.00 0.00 175.35 173.45 2nug s LYS 183 N -4.04 1.90 0.00 1.68 2.20 -0.30 -4.57 119.74 116.62 2nug s LYS 183 Ca 0.66 -0.43 0.01 0.00 -0.36 0.00 0.00 55.97 55.85 2nug s LYS 183 Cb -0.19 -1.73 -0.04 0.00 -1.51 0.00 0.00 37.83 34.37 2nug s LYS 183 CO 0.39 -0.14 0.03 -0.06 -0.36 0.00 0.00 175.35 175.20 2nug s PHE 184 N 1.25 3.15 -0.13 4.03 0.40 0.21 -1.84 117.98 125.04 2nug s PHE 184 Ca -0.02 0.12 0.01 0.00 -0.60 0.00 0.00 56.93 56.43 2nug s PHE 184 Cb -0.14 -1.69 0.02 0.00 0.51 0.00 0.00 43.02 41.73 2nug s PHE 184 CO -0.04 0.50 -0.13 0.42 0.70 0.00 0.00 175.22 176.66 2nug s ILE 185 N -1.14 1.41 0.26 0.64 1.01 -0.28 -1.60 121.20 121.50 2nug s ILE 185 Ca 0.21 -0.55 0.09 0.00 0.00 0.00 0.00 60.65 60.40 2nug s ILE 185 Cb -0.12 -1.33 -0.05 0.00 0.01 0.00 0.00 42.46 40.97 2nug s ILE 185 CO 0.12 0.43 -0.13 0.68 0.00 0.00 0.00 174.94 176.04 2nug s VAL 186 N 1.38 1.95 -0.08 2.92 -7.23 0.07 -0.52 120.40 118.89 2nug s VAL 186 Ca 0.01 -2.23 0.05 0.00 -1.81 0.00 0.00 61.98 58.00 2nug s VAL 186 Cb -0.13 -2.29 -0.01 0.00 0.56 0.00 0.00 36.38 34.51 2nug s VAL 186 CO -0.07 -0.42 -0.23 -0.70 -0.31 0.00 0.00 175.10 173.36 2nug s GLU 187 N -3.63 2.80 -0.04 4.82 2.12 -0.14 -1.15 118.70 123.48 2nug s GLU 187 Ca 0.27 -0.87 -0.00 0.00 0.36 0.00 0.00 54.97 54.73 2nug s GLU 187 Cb -0.00 -2.26 -0.03 0.00 0.26 0.00 0.00 34.13 32.10 2nug s GLU 187 CO 0.11 0.30 -0.00 0.00 -0.54 0.00 0.00 175.26 175.13 2nug s ALA 188 N 0.05 3.27 -0.02 6.30 0.00 0.13 -1.81 121.76 129.68 2nug s ALA 188 Ca -0.10 -0.88 -0.10 0.00 0.00 0.00 0.00 51.96 50.88 2nug s ALA 188 Cb -0.15 -1.40 0.01 0.00 0.00 0.00 0.00 23.12 21.58 2nug s ALA 188 CO 0.06 0.62 0.21 -1.59 0.00 0.00 0.00 175.76 175.05 2nug s LYS 189 N -1.22 0.50 -0.20 0.00 -2.85 0.15 -1.33 119.74 114.80 2nug s LYS 189 Ca 0.16 -0.21 -0.09 0.00 -1.00 0.00 0.00 55.97 54.83 2nug s LYS 189 Cb -0.11 0.22 0.08 0.00 -2.06 0.00 0.00 37.83 35.95 2nug s LYS 189 CO 0.06 -0.12 0.45 -1.50 0.10 0.00 0.00 175.35 174.34 2nug s ILE 190 N -1.11 -0.29 0.00 3.79 1.10 -0.64 -0.99 121.20 123.06 2nug s ILE 190 Ca -0.12 0.11 0.00 0.00 -0.51 0.00 0.00 60.65 60.13 2nug s ILE 190 Cb -0.06 -0.69 0.00 0.00 0.15 0.00 0.00 42.46 41.87 2nug s ILE 190 CO 0.02 0.04 0.00 0.29 -2.11 0.00 0.00 174.94 173.19 2nug n LYS 191 N 4.73 0.00 -0.27 3.50 4.76 -1.26 -0.99 118.16 128.63 2nug n LYS 191 Ca -0.17 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.37 2nug n LYS 191 Cb 0.53 0.00 0.27 0.00 -1.84 0.00 0.00 35.03 33.99 2nug n LYS 191 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2nug n GLU 192 N 14.00 2.38 -3.53 1.97 4.71 -1.26 -4.91 120.64 134.00 2nug n GLU 192 Ca 0.00 -2.13 -0.37 0.00 -0.01 0.00 0.00 57.16 54.65 2nug n GLU 192 Cb 0.00 -1.48 -0.07 0.00 -1.01 0.00 0.00 31.44 28.88 2nug n GLU 192 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 2nug s TYR 193 N -1.29 3.48 0.01 -0.32 2.02 -0.16 -5.08 117.35 116.00 2nug s TYR 193 Ca 0.40 0.63 0.01 0.00 -0.37 0.00 0.00 57.07 57.74 2nug s TYR 193 Cb 0.21 -2.34 -0.01 0.00 -0.40 0.00 0.00 41.96 39.42 2nug s TYR 193 CO 0.28 0.26 -0.04 1.03 -1.57 0.00 0.00 175.55 175.52 2nug s ARG 194 N 0.38 0.32 0.11 -0.62 0.52 -1.26 -1.62 118.95 116.79 2nug s ARG 194 Ca 0.17 -0.34 -0.03 0.00 -0.52 0.00 0.00 55.73 55.01 2nug s ARG 194 Cb -0.13 -0.20 -0.03 0.00 0.52 0.00 0.00 34.95 35.11 2nug s ARG 194 CO 0.05 0.04 0.10 0.95 0.02 0.00 0.00 175.30 176.46 2nug s THR 195 N -0.59 0.13 0.22 0.02 -4.23 -0.44 -4.98 115.64 105.77 2nug s THR 195 Ca -0.04 -1.70 0.10 0.00 -1.18 0.00 0.00 61.69 58.87 2nug s THR 195 Cb -0.05 -1.81 -0.04 0.00 1.34 0.00 0.00 72.50 71.94 2nug s THR 195 CO -0.00 -0.57 -0.11 -0.76 -0.54 0.00 0.00 174.62 172.64 2nug s LEU 196 N -2.98 2.88 -0.01 4.79 1.43 -1.26 -0.69 118.68 122.84 2nug s LEU 196 Ca 0.17 -0.72 -0.17 0.00 -1.03 0.00 0.00 54.13 52.37 2nug s LEU 196 Cb 0.06 -1.50 0.03 0.00 0.03 0.00 0.00 46.19 44.82 2nug s LEU 196 CO -0.03 0.07 0.37 -0.83 0.23 0.00 0.00 176.35 176.16 2nug s GLY 197 N -3.17 -0.22 0.13 -3.19 0.00 -0.30 -4.24 107.32 96.34 2nug s GLY 197 Ca 0.27 0.43 0.06 0.00 0.00 0.00 0.00 44.72 45.47 2nug s GLY 197 CO 0.16 0.19 -0.13 -1.83 0.00 0.00 0.00 173.10 171.49 2nug s GLU 198 N -1.53 1.05 -0.02 2.90 -1.05 -1.26 -0.75 118.70 118.04 2nug s GLU 198 Ca -0.12 -1.30 -0.29 0.00 -0.15 0.00 0.00 54.97 53.11 2nug s GLU 198 Cb -0.04 -0.85 0.10 0.00 -0.44 0.00 0.00 34.13 32.90 2nug s GLU 198 CO 0.04 0.15 1.29 0.20 0.95 0.00 0.00 175.26 177.88 2nug s GLY 199 N -2.66 -0.13 0.00 -3.83 0.00 -0.63 -4.23 107.32 95.84 2nug s GLY 199 Ca 0.11 0.05 0.29 0.00 0.00 0.00 0.00 44.72 45.17 2nug s GLY 199 CO 0.03 5.55 1.83 0.58 0.00 0.00 0.00 173.10 181.09 2nug n LYS 200 N -0.90 1.14 -3.78 2.90 2.85 -1.26 -0.62 118.16 118.49 2nug n LYS 200 Ca 0.04 -0.51 -0.09 0.00 -1.05 0.00 0.00 58.31 56.69 2nug n LYS 200 Cb 0.59 -1.49 -0.06 0.00 -0.65 0.00 0.00 35.03 33.42 2nug n LYS 200 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2nug s SER 201 N -2.21 -0.03 0.19 -5.58 1.04 -1.26 -4.81 113.70 101.03 2nug s SER 201 Ca 0.35 -0.55 -0.11 0.00 0.48 0.00 0.00 55.95 56.12 2nug s SER 201 Cb 0.21 0.41 0.10 0.00 0.10 0.00 0.00 66.02 66.84 2nug s SER 201 CO 0.41 -0.80 1.79 0.11 0.98 0.00 0.00 173.24 175.73 2nug h LYS 202 N 2.57 0.91 -0.56 4.02 1.57 -1.96 -1.79 116.57 121.34 2nug h LYS 202 Ca -0.34 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.34 2nug h LYS 202 Cb 1.23 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.33 2nug h LYS 202 CO 0.51 0.70 0.37 -0.22 -0.57 0.00 0.00 179.45 180.24 2nug h LYS 203 N 0.89 0.74 -0.60 3.15 3.64 -1.98 0.39 116.57 122.80 2nug h LYS 203 Ca 0.23 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 2nug h LYS 203 Cb 0.06 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 2nug h LYS 203 CO -0.03 0.49 0.29 1.49 -2.27 0.00 0.00 179.45 179.41 2nug h GLU 204 N 0.76 0.86 -0.61 1.90 4.81 -1.89 0.07 114.58 120.48 2nug h GLU 204 Ca 0.20 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 2nug h GLU 204 Cb -0.09 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.11 2nug h GLU 204 CO -0.04 0.69 0.17 0.00 -0.73 0.00 0.00 179.01 179.10 2nug h ALA 205 N 1.12 1.15 -0.35 2.92 0.00 -0.90 -1.95 119.26 121.25 2nug h ALA 205 Ca 0.21 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2nug h ALA 205 Cb 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2nug h ALA 205 CO -0.03 0.58 -0.22 0.93 0.00 0.00 0.00 179.25 180.52 2nug h GLU 206 N 0.91 0.68 -0.67 0.00 5.08 -0.42 0.16 114.58 120.32 2nug h GLU 206 Ca 0.20 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 2nug h GLU 206 Cb 0.29 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 2nug h GLU 206 CO -0.00 0.84 0.22 1.96 -1.00 0.00 0.00 179.01 181.03 2nug h GLN 207 N 0.60 1.03 -0.45 2.33 1.08 -0.51 0.19 115.11 119.37 2nug h GLN 207 Ca 0.09 -0.21 -0.12 0.00 -1.45 0.00 0.00 58.65 56.95 2nug h GLN 207 Cb 0.70 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 2nug h GLN 207 CO 0.05 0.89 -0.20 0.00 -0.95 0.00 0.00 178.83 178.62 2nug h ARG 208 N 0.96 0.93 -0.51 1.46 3.08 -1.04 -1.43 114.38 117.83 2nug h ARG 208 Ca 0.22 -0.40 -0.08 0.00 0.07 0.00 0.00 59.98 59.79 2nug h ARG 208 Cb 0.28 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 2nug h ARG 208 CO -0.01 1.06 -0.00 0.00 -1.07 0.00 0.00 179.97 179.95 2nug h ALA 209 N 0.85 1.03 -0.54 0.04 0.00 -0.67 -2.25 119.26 117.71 2nug h ALA 209 Ca 0.10 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2nug h ALA 209 Cb 0.77 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2nug h ALA 209 CO 0.06 0.60 0.07 0.00 0.00 0.00 0.00 179.25 179.99 2nug h ALA 210 N 1.19 0.72 -0.53 0.00 0.00 -0.44 -0.80 119.26 119.39 2nug h ALA 210 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2nug h ALA 210 Cb 0.49 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2nug h ALA 210 CO 0.02 0.48 0.34 1.49 0.00 0.00 0.00 179.25 181.59 2nug h GLU 211 N 0.80 0.71 -0.57 0.00 4.81 -1.03 -0.21 114.58 119.08 2nug h GLU 211 Ca 0.16 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.28 2nug h GLU 211 Cb 0.43 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 2nug h GLU 211 CO 0.01 0.48 0.10 0.93 -0.73 0.00 0.00 179.01 179.80 2nug h GLU 212 N 0.72 0.92 -0.33 1.92 4.39 -1.18 -2.54 114.58 118.47 2nug h GLU 212 Ca 0.19 -0.22 -0.12 0.00 0.34 0.00 0.00 59.36 59.56 2nug h GLU 212 Cb -0.06 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.45 2nug h GLU 212 CO -0.04 0.85 -0.28 1.25 -1.16 0.00 0.00 179.01 179.63 2nug h LEU 213 N 0.87 0.71 -0.74 1.33 5.85 -0.63 -0.66 115.31 122.03 2nug h LEU 213 Ca 0.18 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2nug h LEU 213 Cb 0.38 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 2nug h LEU 213 CO 0.01 0.95 0.44 0.40 -0.34 0.00 0.00 178.44 179.89 2nug h ILE 214 N 0.59 1.21 -0.51 4.05 2.04 -0.78 -0.53 117.51 123.59 2nug h ILE 214 Ca 0.07 -0.48 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 2nug h ILE 214 Cb 0.78 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 2nug h ILE 214 CO 0.06 0.22 0.16 0.11 0.00 0.00 0.00 178.15 178.71 2nug h LYS 215 N 1.01 0.79 -0.77 2.37 1.57 -1.06 -1.55 116.57 118.92 2nug h LYS 215 Ca 0.26 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2nug h LYS 215 Cb -0.02 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.13 2nug h LYS 215 CO -0.05 0.73 0.50 1.25 -0.57 0.00 0.00 179.45 181.32 2nug h LEU 216 N 0.69 0.85 -0.40 2.94 5.85 -0.60 0.15 115.31 124.79 2nug h LEU 216 Ca 0.16 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 2nug h LEU 216 Cb 0.27 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2nug h LEU 216 CO -0.01 0.60 0.00 -0.07 -0.34 0.00 0.00 178.44 178.63 2nug h LEU 217 N 1.00 0.69 -1.09 2.25 3.38 -0.86 -2.43 115.31 118.26 2nug h LEU 217 Ca 0.30 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2nug h LEU 217 Cb -0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2nug h LEU 217 CO -0.09 0.83 0.00 -0.33 0.09 0.00 0.00 178.44 178.94 2nug h GLU 218 N 0.53 0.65 0.00 1.13 5.08 -0.86 -1.75 114.58 119.37 2nug h GLU 218 Ca 0.11 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2nug h GLU 218 Cb 0.47 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2nug h GLU 218 CO 0.02 0.67 0.00 0.39 -1.00 0.00 0.00 179.01 179.09 2nug n GLU 219 N -4.25 0.89 0.00 2.33 1.02 0.00 -5.10 120.64 115.53 2nug n GLU 219 Ca 0.02 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.24 2nug n GLU 219 Cb 0.27 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.25 2nug n GLU 219 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74