#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1on0 s ILE 3 N 0.00 2.21 0.12 2.28 -1.09 -1.26 -4.12 121.20 119.34 1on0 s ILE 3 Ca 0.00 -2.31 0.07 0.00 -2.23 0.00 0.00 60.65 56.18 1on0 s ILE 3 Cb 0.00 -2.19 -0.04 0.00 -1.58 0.00 0.00 42.46 38.65 1on0 s ILE 3 CO 0.00 -0.45 -0.18 -0.76 -1.23 0.00 0.00 174.94 172.33 1on0 s LEU 5 N -3.38 2.36 -0.27 2.97 1.02 -1.26 -4.78 118.68 115.34 1on0 s LEU 5 Ca 0.27 -0.75 -0.24 0.00 0.02 0.00 0.00 54.13 53.43 1on0 s LEU 5 Cb -0.04 -0.73 0.07 0.00 0.02 0.00 0.00 46.19 45.51 1on0 s LEU 5 CO 0.12 -0.03 0.71 0.28 0.02 0.00 0.00 176.35 177.45 1on0 s THR 6 N -1.64 -0.00 0.00 5.49 -1.32 -1.15 -4.97 115.64 112.05 1on0 s THR 6 Ca 0.08 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.56 1on0 s THR 6 Cb -0.08 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.92 1on0 s THR 6 CO 0.04 0.00 0.00 -0.81 -2.21 0.00 0.00 174.62 171.64 1on0 n PRO 7 N 2.92 3.12 -4.18 7.08 -0.04 -1.26 -0.89 135.00 141.75 1on0 n PRO 7 Ca -0.15 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.20 1on0 n PRO 7 Cb 0.56 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.92 1on0 n PRO 7 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1on0 s GLN 9 N 0.00 0.87 0.23 0.54 -1.52 -1.26 -4.69 119.66 113.83 1on0 s GLN 9 Ca 0.00 -1.36 -0.08 0.00 -1.95 0.00 0.00 55.36 51.97 1on0 s GLN 9 Cb 0.00 -0.19 0.22 0.00 -0.22 0.00 0.00 33.01 32.82 1on0 s GLN 9 CO 0.00 -0.04 1.89 0.00 -0.25 0.00 0.00 175.29 176.89 1on0 h THR 10 N 2.93 1.19 -0.38 -0.19 1.03 -2.03 0.13 112.91 115.58 1on0 h THR 10 Ca -0.35 -0.39 -0.16 0.00 -0.01 0.00 0.00 66.41 65.50 1on0 h THR 10 Cb 1.17 -0.03 -0.01 0.00 -1.07 0.00 0.00 68.15 68.21 1on0 h THR 10 CO 0.64 0.20 -0.39 -0.33 -0.01 0.00 0.00 175.52 175.64 1on0 h GLU 11 N 1.12 0.94 -0.40 0.00 4.39 -2.03 -1.52 114.58 117.08 1on0 h GLU 11 Ca 0.32 -0.49 0.02 0.00 0.34 0.00 0.00 59.36 59.55 1on0 h GLU 11 Cb -0.08 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 1on0 h GLU 11 CO -0.09 1.15 0.23 1.49 -1.16 0.00 0.00 179.01 180.64 1on0 h GLU 12 N 0.76 0.46 -0.67 2.33 4.22 -1.88 -0.89 114.58 118.90 1on0 h GLU 12 Ca 0.06 -0.03 0.06 0.00 0.08 0.00 0.00 59.36 59.54 1on0 h GLU 12 Cb 0.98 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.09 1on0 h GLU 12 CO 0.10 0.30 0.44 0.35 -2.18 0.00 0.00 179.01 178.02 1on0 h PHE 13 N 0.47 0.69 0.12 0.92 3.57 -0.84 1.37 116.94 123.24 1on0 h PHE 13 Ca 0.16 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1on0 h PHE 13 Cb 0.01 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.53 1on0 h PHE 13 CO -0.07 0.37 -0.06 -0.09 -2.23 0.00 0.00 178.31 176.23 1on0 h ARG 14 N 0.68 -0.15 -0.44 1.11 9.65 -0.13 0.44 114.38 125.54 1on0 h ARG 14 Ca 0.29 0.01 -0.15 0.00 -1.10 0.00 0.00 59.98 59.03 1on0 h ARG 14 Cb 0.27 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.87 1on0 h ARG 14 CO -0.09 0.06 -0.30 0.77 2.80 0.00 0.00 179.97 183.21 1on0 h SER 15 N -0.34 1.01 0.26 -3.80 0.02 -0.38 -3.01 113.55 107.31 1on0 h SER 15 Ca -0.02 -0.42 -0.01 0.00 -0.84 0.00 0.00 61.79 60.50 1on0 h SER 15 Cb 0.28 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1on0 h SER 15 CO 0.03 1.23 -0.12 0.22 -1.14 0.00 0.00 176.83 177.04 1on0 h TYR 16 N 0.81 -0.32 -0.91 3.45 3.20 0.20 -0.98 116.97 122.42 1on0 h TYR 16 Ca 0.09 -0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.14 1on0 h TYR 16 Cb 0.89 0.11 -0.07 0.00 1.54 0.00 0.00 36.73 39.19 1on0 h TYR 16 CO 0.06 -0.11 0.59 1.25 -1.64 0.00 0.00 178.16 178.31 1on0 h LEU 17 N -0.47 0.51 0.34 2.82 5.85 -0.16 0.12 115.31 124.32 1on0 h LEU 17 Ca -0.04 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1on0 h LEU 17 Cb 0.35 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1on0 h LEU 17 CO 0.06 0.21 -0.16 0.74 -0.34 0.00 0.00 178.44 178.95 1on0 h THR 18 N 0.51 0.00 -0.01 1.05 2.02 -1.35 0.56 112.91 115.69 1on0 h THR 18 Ca 0.48 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.35 1on0 h THR 18 Cb 1.03 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1on0 h THR 18 CO -0.21 0.00 0.26 0.22 0.37 0.00 0.00 175.52 176.16 1on0 h TYR 19 N -0.76 0.00 0.00 3.16 3.20 -0.81 -1.93 116.97 119.83 1on0 h TYR 19 Ca -0.05 0.00 -0.38 0.00 3.14 0.00 0.00 58.73 61.45 1on0 h TYR 19 Cb 0.35 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.55 1on0 h TYR 19 CO 0.04 0.00 -2.41 -2.37 -1.64 0.00 0.00 178.16 171.78 1on0 n THR 20 N -2.96 1.42 0.15 1.81 5.66 0.39 -3.48 114.28 117.27 1on0 n THR 20 Ca -0.02 -0.78 0.01 0.00 -3.05 0.00 0.00 64.05 60.21 1on0 n THR 20 Cb 0.32 -0.72 0.32 0.00 -1.55 0.00 0.00 70.33 68.70 1on0 n THR 20 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 1on0 h THR 21 N 0.00 1.28 0.10 1.09 2.02 -0.26 -0.78 112.91 116.37 1on0 h THR 21 Ca -0.56 -1.34 -0.27 0.00 0.77 0.00 0.00 66.41 65.02 1on0 h THR 21 Cb 2.16 1.67 0.01 0.00 -1.74 0.00 0.00 68.15 70.24 1on0 h THR 21 CO -0.00 0.39 -1.18 0.50 0.37 0.00 0.00 175.52 175.60 1on0 h LYS 22 N 0.07 0.34 -0.34 6.66 3.11 -1.56 -3.16 116.57 121.69 1on0 h LYS 22 Ca 0.01 -0.50 -0.17 0.00 -2.81 0.00 0.00 60.65 57.18 1on0 h LYS 22 Cb 0.69 0.18 -0.00 0.00 -1.00 0.00 0.00 32.23 32.10 1on0 h LYS 22 CO 0.05 1.21 -0.45 1.25 -2.81 0.00 0.00 179.45 178.70 1on0 h HIS 23 N 0.12 1.08 0.00 1.91 2.76 -1.53 -1.96 115.15 117.54 1on0 h HIS 23 Ca -0.13 -0.35 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 1on0 h HIS 23 Cb 1.88 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 30.62 1on0 h HIS 23 CO 0.07 1.17 0.00 -0.92 -1.30 0.00 0.00 177.93 176.95 1on0 h TYR 24 N 0.71 0.00 0.05 5.26 3.20 -1.22 -0.39 116.97 124.58 1on0 h TYR 24 Ca 0.04 0.00 -0.32 0.00 3.14 0.00 0.00 58.73 61.59 1on0 h TYR 24 Cb 1.04 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.27 1on0 h TYR 24 CO 0.06 0.00 -1.81 0.00 -1.64 0.00 0.00 178.16 174.78 1on0 n ALA 25 N -1.90 1.28 0.19 1.82 0.00 -0.95 -2.34 120.51 118.61 1on0 n ALA 25 Ca -0.00 -0.70 0.05 0.00 0.00 0.00 0.00 53.44 52.79 1on0 n ALA 25 Cb 0.16 -0.79 0.37 0.00 0.00 0.00 0.00 19.45 19.18 1on0 n ALA 25 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1on0 h GLU 26 N 0.03 0.00 0.14 0.00 4.22 -0.44 -2.07 114.58 116.46 1on0 h GLU 26 Ca -0.33 0.00 -0.33 0.00 0.08 0.00 0.00 59.36 58.78 1on0 h GLU 26 Cb 2.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.27 1on0 h GLU 26 CO 0.08 0.37 -1.64 0.93 -2.18 0.00 0.00 179.01 176.57 1on0 h GLU 27 N 0.00 0.30 0.00 1.92 4.39 -1.25 -2.39 114.58 117.56 1on0 h GLU 27 Ca -0.00 -0.52 0.00 0.00 0.34 0.00 0.00 59.36 59.18 1on0 h GLU 27 Cb 0.81 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1on0 h GLU 27 CO 0.05 1.18 0.00 0.87 -1.16 0.00 0.00 179.01 179.95 1on0 h LYS 28 N 0.08 0.00 0.09 2.33 1.79 -1.31 -2.39 116.57 117.17 1on0 h LYS 28 Ca -0.29 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 57.82 1on0 h LYS 28 Cb 2.05 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.68 1on0 h LYS 28 CO 0.16 0.00 -1.99 0.28 -1.08 0.00 0.00 179.45 176.82 1on0 n VAL 29 N -2.97 1.72 1.04 0.50 0.31 -0.79 -1.15 118.33 116.98 1on0 n VAL 29 Ca 0.00 -0.57 0.06 0.00 -0.01 0.00 0.00 64.34 63.82 1on0 n VAL 29 Cb 0.24 -1.73 0.34 0.00 -0.91 0.00 0.00 33.84 31.78 1on0 n VAL 29 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1on0 n LYS 30 N -3.58 0.52 0.00 5.55 4.81 -0.90 -1.08 118.16 123.49 1on0 n LYS 30 Ca -0.34 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.11 1on0 n LYS 30 Cb 1.00 -1.34 -0.02 0.00 0.02 0.00 0.00 35.03 34.68 1on0 n LYS 30 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1on0 n ALA 31 N -0.84 2.45 0.00 3.14 0.00 -0.93 -4.97 120.51 119.36 1on0 n ALA 31 Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1on0 n ALA 31 Cb 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.36 1on0 n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1on0 n GLY 32 N 1.07 2.89 0.35 0.00 0.00 -0.24 -4.88 105.19 104.38 1on0 n GLY 32 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 1on0 n GLY 32 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1on0 n THR 33 N -0.79 -0.41 -4.78 2.61 -1.04 -1.11 -4.41 114.28 104.36 1on0 n THR 33 Ca 0.00 2.23 -0.30 0.00 -2.04 0.00 0.00 64.05 63.94 1on0 n THR 33 Cb 0.00 -3.13 -0.14 0.00 -1.82 0.00 0.00 70.33 65.24 1on0 n THR 33 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1on0 s TRP 34 N -6.16 2.31 0.34 -1.42 0.51 -0.30 -5.05 118.94 109.17 1on0 s TRP 34 Ca -0.14 -0.40 -0.27 0.00 -2.12 0.00 0.00 56.10 53.17 1on0 s TRP 34 Cb 0.27 -1.35 -0.09 0.00 -0.81 0.00 0.00 33.47 31.49 1on0 s TRP 34 CO 0.77 0.18 1.10 -0.51 -0.51 0.00 0.00 176.95 177.97 1on0 s LEU 35 N -1.44 4.34 0.48 2.99 1.43 -1.26 -4.20 118.68 121.01 1on0 s LEU 35 Ca 0.12 2.21 0.30 0.00 -1.03 0.00 0.00 54.13 55.73 1on0 s LEU 35 Cb -0.10 -3.90 1.39 0.00 0.03 0.00 0.00 46.19 43.61 1on0 s LEU 35 CO 0.03 -0.37 1.76 -0.65 0.23 0.00 0.00 176.35 177.35 1on0 h PRO 36 N 3.12 0.15 -0.89 1.29 0.11 -1.95 -0.52 132.00 133.31 1on0 h PRO 36 Ca -0.48 -0.01 -0.29 0.00 0.11 0.00 0.00 66.00 65.33 1on0 h PRO 36 Cb 1.22 -0.03 -0.18 0.00 0.11 0.00 0.00 31.00 32.12 1on0 h PRO 36 CO 0.64 0.10 0.37 -0.85 -0.21 0.00 0.00 178.00 178.06 1on0 n GLU 37 N -4.39 2.73 0.00 1.05 0.00 -1.26 -4.16 120.64 114.61 1on0 n GLU 37 Ca 0.28 -2.53 0.00 0.00 0.00 0.00 0.00 57.16 54.91 1on0 n GLU 37 Cb 1.17 -2.03 0.00 0.00 0.00 0.00 0.00 31.44 30.58 1on0 n GLU 37 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1on0 n ASP 38 N -0.43 0.00 -0.07 -1.84 9.92 -0.26 -4.95 116.55 118.92 1on0 n ASP 38 Ca 0.41 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.64 1on0 n ASP 38 Cb 1.34 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 41.79 1on0 n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1on0 h ALA 39 N 0.00 -0.25 -1.38 2.24 0.00 -1.56 -0.56 119.26 117.74 1on0 h ALA 39 Ca 0.00 0.02 0.44 0.00 0.00 0.00 0.00 54.91 55.37 1on0 h ALA 39 Cb 0.00 0.97 -0.12 0.00 0.00 0.00 0.00 17.79 18.65 1on0 h ALA 39 CO 0.00 -0.34 0.92 1.96 0.00 0.00 0.00 179.25 181.79 1on0 h GLN 40 N -0.04 0.08 0.02 0.00 1.08 -1.88 0.43 115.11 114.80 1on0 h GLN 40 Ca 0.03 -0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.99 1on0 h GLN 40 Cb 0.12 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.50 1on0 h GLN 40 CO -0.19 0.05 -1.20 1.25 -0.95 0.00 0.00 178.83 177.79 1on0 h LEU 41 N 0.08 0.06 0.10 1.46 5.85 -1.51 -3.30 115.31 118.04 1on0 h LEU 41 Ca 0.81 -0.07 -0.28 0.00 0.84 0.00 0.00 57.88 59.19 1on0 h LEU 41 Cb 2.66 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 43.68 1on0 h LEU 41 CO -0.34 1.06 -1.23 -0.07 -0.34 0.00 0.00 178.44 177.52 1on0 h LEU 42 N 0.01 0.51 -0.09 2.25 3.38 0.79 -3.16 115.31 119.00 1on0 h LEU 42 Ca -0.09 -0.52 0.04 0.00 0.09 0.00 0.00 57.88 57.39 1on0 h LEU 42 Cb 1.85 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 42.39 1on0 h LEU 42 CO 0.13 1.39 -0.16 0.28 0.09 0.00 0.00 178.44 180.17 1on0 h SER 43 N 0.12 -0.48 -0.64 -0.43 0.02 -1.09 -0.12 113.55 110.92 1on0 h SER 43 Ca -0.14 0.08 0.08 0.00 -0.84 0.00 0.00 61.79 60.97 1on0 h SER 43 Cb 1.93 0.22 -0.06 0.00 0.14 0.00 0.00 62.40 64.63 1on0 h SER 43 CO 0.21 -0.21 0.31 0.50 -1.14 0.00 0.00 176.83 176.50 1on0 h LYS 44 N -0.22 0.54 -0.74 3.45 3.64 -1.66 0.42 116.57 122.01 1on0 h LYS 44 Ca 0.08 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1on0 h LYS 44 Cb 0.33 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1on0 h LYS 44 CO -0.22 0.35 0.27 0.37 -2.27 0.00 0.00 179.45 177.95 1on0 h GLN 45 N 0.55 1.11 -0.25 1.90 4.15 -1.36 0.21 115.11 121.42 1on0 h GLN 45 Ca 0.31 -0.21 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 1on0 h GLN 45 Cb 0.30 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 1on0 h GLN 45 CO -0.24 0.92 0.07 0.28 -1.93 0.00 0.00 178.83 177.93 1on0 h VAL 46 N 1.08 1.20 0.00 2.39 2.07 0.08 -1.78 116.25 121.29 1on0 h VAL 46 Ca 0.24 -0.66 -0.13 0.00 0.82 0.00 0.00 66.70 66.98 1on0 h VAL 46 Cb 0.25 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1on0 h VAL 46 CO -0.02 0.21 -0.61 -0.26 0.02 0.00 0.00 177.57 176.91 1on0 h PHE 47 N 0.24 0.00 -0.00 1.57 0.04 -0.76 -2.15 116.94 115.87 1on0 h PHE 47 Ca 0.08 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.69 1on0 h PHE 47 Cb 0.26 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 1on0 h PHE 47 CO 0.01 0.61 -0.77 1.79 -0.60 0.00 0.00 178.31 179.35 1on0 h THR 48 N 0.00 1.53 0.00 -1.55 1.35 -0.91 -2.03 112.91 111.30 1on0 h THR 48 Ca -0.01 -2.58 -0.15 0.00 -0.55 0.00 0.00 66.41 63.13 1on0 h THR 48 Cb 1.18 2.40 -0.02 0.00 -1.73 0.00 0.00 68.15 69.97 1on0 h THR 48 CO 0.08 0.74 -0.70 0.44 -0.25 0.00 0.00 175.52 175.83 1on0 h ASP 49 N 0.03 0.00 0.26 5.36 3.45 -1.20 -2.92 116.42 121.40 1on0 h ASP 49 Ca -0.01 0.00 -0.29 0.00 0.43 0.00 0.00 57.03 57.15 1on0 h ASP 49 Cb 1.36 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 40.15 1on0 h ASP 49 CO 0.10 0.70 -1.24 -0.07 -1.57 0.00 0.00 179.24 177.16 1on0 h LEU 50 N 0.00 0.75 -5.82 1.55 3.38 -1.32 -3.38 115.31 110.47 1on0 h LEU 50 Ca -0.01 -0.71 -0.60 0.00 0.09 0.00 0.00 57.88 56.65 1on0 h LEU 50 Cb 1.35 -0.24 -0.41 0.00 0.09 0.00 0.00 40.66 41.44 1on0 h LEU 50 CO 0.09 1.53 -0.56 0.18 0.09 0.00 0.00 178.44 179.77 1on0 n LEU 51 N -3.73 4.20 0.08 1.67 4.32 -0.77 -4.90 117.00 117.88 1on0 n LEU 51 Ca -0.12 -5.55 0.08 0.00 -0.02 0.00 0.00 56.01 50.39 1on0 n LEU 51 Cb 0.99 -0.64 0.53 0.00 -1.62 0.00 0.00 43.42 42.68 1on0 n LEU 51 CO 0.57 2.18 1.13 -0.65 -1.22 0.00 0.00 177.39 179.40 1on0 h PRO 52 N 3.68 0.29 -0.66 3.23 0.11 -1.71 -1.87 132.00 135.07 1on0 h PRO 52 Ca 0.18 -0.02 -0.45 0.00 0.11 0.00 0.00 66.00 65.82 1on0 h PRO 52 Cb 0.58 -0.07 -0.28 0.00 0.11 0.00 0.00 31.00 31.35 1on0 h PRO 52 CO 0.85 0.19 -0.17 0.54 -0.21 0.00 0.00 178.00 179.20 1on0 n ARG 53 N -4.49 2.75 0.00 1.05 1.74 -1.26 -5.01 116.66 111.43 1on0 n ARG 53 Ca 0.02 -3.62 0.00 0.00 -0.77 0.00 0.00 57.85 53.49 1on0 n ARG 53 Cb 0.15 -2.11 0.00 0.00 -1.02 0.00 0.00 32.46 29.47 1on0 n ARG 53 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1on0 n GLY 54 N -0.91 2.63 0.00 -0.13 0.00 -0.70 0.37 105.19 106.44 1on0 n GLY 54 Ca 0.44 -0.15 0.06 0.00 0.00 0.00 0.00 46.02 46.38 1on0 n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1on0 n LEU 55 N 0.00 0.00 -0.91 0.99 4.77 -1.26 -1.85 117.00 118.73 1on0 n LEU 55 Ca 0.00 0.49 0.11 0.00 -0.03 0.00 0.00 56.01 56.59 1on0 n LEU 55 Cb 0.00 -0.49 0.27 0.00 -2.33 0.00 0.00 43.42 40.87 1on0 n LEU 55 CO 0.00 -0.29 0.73 -0.62 -1.33 0.00 0.00 177.39 175.87 1on0 n GLU 56 N -1.49 2.20 -1.80 3.23 -0.58 0.16 -4.90 120.64 117.45 1on0 n GLU 56 Ca 0.03 -1.81 -0.42 0.00 -0.42 0.00 0.00 57.16 54.54 1on0 n GLU 56 Cb 0.14 -1.46 -0.03 0.00 -0.57 0.00 0.00 31.44 29.52 1on0 n GLU 56 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1on0 s THR 57 N -1.63 3.24 0.28 2.62 2.01 -0.77 -4.87 115.64 116.52 1on0 s THR 57 Ca 0.36 0.29 -0.29 0.00 0.31 0.00 0.00 61.69 62.35 1on0 s THR 57 Cb 0.20 -3.20 -0.13 0.00 0.01 0.00 0.00 72.50 69.38 1on0 s THR 57 CO 0.29 -0.04 1.25 -0.81 -0.69 0.00 0.00 174.62 174.62 1on0 n PRO 58 N 7.53 1.83 -0.82 4.92 -0.04 -1.26 -2.33 135.00 144.83 1on0 n PRO 58 Ca 0.20 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 64.30 1on0 n PRO 58 Cb 0.42 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 1on0 n PRO 58 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1on0 n HIS 59 N 0.92 0.00 -3.83 0.54 8.25 -1.26 -4.99 115.22 114.85 1on0 n HIS 59 Ca 0.09 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.20 1on0 n HIS 59 Cb 0.33 -0.47 -0.09 0.00 1.12 0.00 0.00 29.99 30.87 1on0 n HIS 59 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1on0 s HIS 60 N -3.03 3.33 -0.28 4.41 3.76 -0.98 -1.63 115.29 120.87 1on0 s HIS 60 Ca 0.00 0.21 0.00 0.00 -0.15 0.00 0.00 55.06 55.12 1on0 s HIS 60 Cb 0.00 -2.14 0.05 0.00 1.11 0.00 0.00 32.58 31.60 1on0 s HIS 60 CO 0.00 0.20 -0.05 -1.01 -0.85 0.00 0.00 174.74 173.04 1on0 s HIS 61 N 0.45 3.25 -0.22 1.40 3.76 0.12 -4.82 115.29 119.23 1on0 s HIS 61 Ca 0.06 -2.02 -0.07 0.00 -0.15 0.00 0.00 55.06 52.88 1on0 s HIS 61 Cb -0.12 -2.03 -0.04 0.00 1.11 0.00 0.00 32.58 31.50 1on0 s HIS 61 CO -0.00 -0.83 0.07 -0.51 -0.85 0.00 0.00 174.74 172.62 1on0 s LEU 62 N 1.20 3.62 0.05 0.89 1.02 -1.26 -1.19 118.68 123.02 1on0 s LEU 62 Ca -0.06 -0.08 0.07 0.00 0.02 0.00 0.00 54.13 54.08 1on0 s LEU 62 Cb -0.20 -1.95 -0.03 0.00 0.02 0.00 0.00 46.19 44.04 1on0 s LEU 62 CO -0.03 0.05 -0.20 0.26 0.02 0.00 0.00 176.35 176.46 1on0 s TRP 63 N 1.09 1.73 -0.01 0.29 0.51 0.12 -4.60 118.94 118.08 1on0 s TRP 63 Ca 0.04 -0.38 -0.10 0.00 -2.12 0.00 0.00 56.10 53.55 1on0 s TRP 63 Cb -0.14 -1.02 -0.05 0.00 -0.81 0.00 0.00 33.47 31.45 1on0 s TRP 63 CO 0.03 0.10 0.31 -1.12 -0.51 0.00 0.00 176.95 175.77 1on0 s SER 64 N -1.28 6.60 -0.29 2.95 0.01 -0.07 -0.82 113.70 120.79 1on0 s SER 64 Ca 0.06 0.72 -0.16 0.00 1.31 0.00 0.00 55.95 57.88 1on0 s SER 64 Cb -0.09 -2.15 -0.03 0.00 0.21 0.00 0.00 66.02 63.96 1on0 s SER 64 CO 0.02 0.29 0.40 -0.76 0.41 0.00 0.00 173.24 173.61 1on0 s LEU 65 N -1.41 4.16 -0.07 2.44 1.43 0.17 -2.92 118.68 122.47 1on0 s LEU 65 Ca 0.25 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 1on0 s LEU 65 Cb -0.14 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 1on0 s LEU 65 CO 0.13 -0.26 -0.06 -0.54 0.23 0.00 0.00 176.35 175.84 1on0 s LYS 66 N 2.13 2.81 -0.25 1.70 1.02 -1.26 0.10 119.74 125.99 1on0 s LYS 66 Ca 0.15 -0.54 -0.03 0.00 0.02 0.00 0.00 55.97 55.58 1on0 s LYS 66 Cb -0.16 -2.62 -0.17 0.00 -0.52 0.00 0.00 37.83 34.36 1on0 s LYS 66 CO 0.11 0.64 -0.17 -0.11 -0.92 0.00 0.00 175.35 174.90 1on0 n LEU 67 N 2.29 2.69 -3.99 3.17 0.00 -1.24 -4.19 117.00 115.73 1on0 n LEU 67 Ca -0.18 0.02 -0.10 0.00 0.00 0.00 0.00 56.01 55.75 1on0 n LEU 67 Cb 0.53 -0.92 -0.04 0.00 0.00 0.00 0.00 43.42 42.99 1on0 n LEU 67 CO 0.27 0.83 0.21 0.54 0.00 0.00 0.00 177.39 179.25 1on0 s ASN 68 N -6.79 0.08 0.00 1.96 2.20 -1.25 -4.13 114.94 107.01 1on0 s ASN 68 Ca -0.34 -1.03 0.00 0.00 -0.94 0.00 0.00 52.86 50.55 1on0 s ASN 68 Cb 0.10 0.63 0.00 0.00 -2.00 0.00 0.00 41.25 39.98 1on0 s ASN 68 CO 0.60 -1.22 0.54 -0.62 -2.94 0.00 0.00 177.10 173.45 1on0 n GLU 69 N -0.43 0.70 -0.08 3.55 -0.58 -1.26 -2.77 120.64 119.77 1on0 n GLU 69 Ca -0.02 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.64 1on0 n GLU 69 Cb 0.62 -1.16 -0.13 0.00 -0.57 0.00 0.00 31.44 30.20 1on0 n GLU 69 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1on0 n LYS 70 N -0.20 1.39 -3.48 3.49 0.00 -1.26 -5.05 118.16 113.05 1on0 n LYS 70 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 58.31 58.18 1on0 n LYS 70 Cb 0.08 -1.41 -0.03 0.00 0.00 0.00 0.00 35.03 33.67 1on0 n LYS 70 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1on0 s ASP 71 N -4.97 -0.51 -0.26 3.14 1.47 -1.11 -5.14 116.67 109.29 1on0 s ASP 71 Ca -0.08 0.19 -0.11 0.00 1.18 0.00 0.00 52.55 53.73 1on0 s ASP 71 Cb 0.05 0.50 -0.05 0.00 -0.34 0.00 0.00 42.92 43.08 1on0 s ASP 71 CO 0.65 -0.74 0.17 -0.63 0.68 0.00 0.00 175.17 175.30 1on0 s ILE 72 N -2.79 5.29 0.11 2.11 1.01 -1.26 -3.67 121.20 121.99 1on0 s ILE 72 Ca -0.01 0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.85 1on0 s ILE 72 Cb -0.01 -3.49 -0.22 0.00 0.01 0.00 0.00 42.46 38.75 1on0 s ILE 72 CO -0.06 0.31 1.23 -0.37 0.00 0.00 0.00 174.94 176.05 1on0 h VAL 73 N 5.18 1.65 -0.95 2.92 -1.51 0.32 -3.48 116.25 120.38 1on0 h VAL 73 Ca -0.37 -3.34 0.00 0.00 -1.23 0.00 0.00 66.70 61.77 1on0 h VAL 73 Cb 1.18 2.85 0.00 0.00 -2.13 0.00 0.00 31.29 33.19 1on0 h VAL 73 CO 0.61 0.95 0.00 0.61 -1.23 0.00 0.00 177.57 178.51 1on0 n GLY 74 N 1.39 3.28 3.11 5.19 0.00 -0.69 -1.23 105.19 116.25 1on0 n GLY 74 Ca -0.02 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 1on0 n GLY 74 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1on0 s TRP 75 N -2.67 0.28 -0.17 1.61 -2.14 0.20 0.44 118.94 116.50 1on0 s TRP 75 Ca 0.00 -0.67 -0.07 0.00 2.66 0.00 0.00 56.10 58.02 1on0 s TRP 75 Cb 0.00 -0.20 0.07 0.00 -3.10 0.00 0.00 33.47 30.24 1on0 s TRP 75 CO 0.00 -0.38 0.37 -1.17 -2.66 0.00 0.00 176.95 173.11 1on0 s LEU 76 N -2.37 -0.31 -0.16 -4.66 1.98 -0.00 -2.23 118.68 110.92 1on0 s LEU 76 Ca -0.01 0.83 0.00 0.00 -2.89 0.00 0.00 54.13 52.06 1on0 s LEU 76 Cb 0.01 1.15 0.03 0.00 0.66 0.00 0.00 46.19 48.05 1on0 s LEU 76 CO -0.07 -0.22 -0.09 0.86 -1.89 0.00 0.00 176.35 174.95 1on0 s TRP 77 N 2.10 1.97 0.16 5.38 -0.00 0.25 0.13 118.94 128.92 1on0 s TRP 77 Ca -0.04 -1.19 0.07 0.00 -0.00 0.00 0.00 56.10 54.94 1on0 s TRP 77 Cb -0.11 -1.45 -0.04 0.00 -0.00 0.00 0.00 33.47 31.87 1on0 s TRP 77 CO -0.11 -0.65 -0.15 0.96 -0.00 0.00 0.00 176.95 177.00 1on0 s ILE 78 N 1.55 1.59 -0.18 5.86 -4.36 -0.33 -0.87 121.20 124.45 1on0 s ILE 78 Ca 0.02 -1.94 -0.00 0.00 -0.26 0.00 0.00 60.65 58.47 1on0 s ILE 78 Cb -0.14 -1.80 0.04 0.00 1.25 0.00 0.00 42.46 41.81 1on0 s ILE 78 CO -0.09 -0.46 -0.06 -2.28 0.24 0.00 0.00 174.94 172.29 1on0 s HIS 79 N -2.43 1.97 -0.81 1.37 5.65 0.50 0.15 115.29 121.68 1on0 s HIS 79 Ca 0.15 -1.31 -0.19 0.00 0.25 0.00 0.00 55.06 53.97 1on0 s HIS 79 Cb -0.03 -1.43 0.13 0.00 -1.18 0.00 0.00 32.58 30.06 1on0 s HIS 79 CO 0.05 -0.67 0.97 0.00 -0.65 0.00 0.00 174.74 174.44 1on0 s ALA 80 N 1.54 3.44 -0.14 1.58 0.00 -0.65 -1.07 121.76 126.46 1on0 s ALA 80 Ca -0.01 -2.60 -0.34 0.00 0.00 0.00 0.00 51.96 49.01 1on0 s ALA 80 Cb -0.16 -3.85 -0.11 0.00 0.00 0.00 0.00 23.12 19.00 1on0 s ALA 80 CO -0.08 -2.74 1.95 -1.91 0.00 0.00 0.00 175.76 172.99 1on0 n GLU 81 N 6.33 2.01 -1.75 0.00 2.13 -1.25 -4.86 120.64 123.24 1on0 n GLU 81 Ca 0.12 0.71 -0.41 0.00 0.66 0.00 0.00 57.16 58.23 1on0 n GLU 81 Cb 0.47 -2.67 -0.01 0.00 0.27 0.00 0.00 31.44 29.50 1on0 n GLU 81 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1on0 s PRO 82 N 4.55 4.11 -1.84 5.31 0.04 -1.26 -2.52 135.00 143.38 1on0 s PRO 82 Ca 0.96 2.61 0.00 0.00 0.04 0.00 0.00 61.00 64.61 1on0 s PRO 82 Cb -0.69 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 30.84 1on0 s PRO 82 CO 0.50 -0.65 0.00 0.39 0.04 0.00 0.00 177.00 177.28 1on0 n GLU 83 N 2.14 -1.66 -2.09 4.56 4.71 -1.26 -4.94 120.64 122.10 1on0 n GLU 83 Ca 0.08 1.04 -0.43 0.00 -0.01 0.00 0.00 57.16 57.85 1on0 n GLU 83 Cb 0.37 -5.67 -0.03 0.00 -1.01 0.00 0.00 31.44 25.10 1on0 n GLU 83 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 1on0 s HIS 84 N -3.00 2.11 0.44 -0.32 2.46 -1.05 -4.88 115.29 111.04 1on0 s HIS 84 Ca 0.00 0.46 0.35 0.00 0.47 0.00 0.00 55.06 56.33 1on0 s HIS 84 Cb 0.00 -3.91 1.45 0.00 -0.13 0.00 0.00 32.58 29.99 1on0 s HIS 84 CO 0.00 -3.19 1.45 -0.35 -2.47 0.00 0.00 174.74 170.19 1on0 n PRO 85 N 7.38 -0.02 -0.47 2.88 -0.04 -1.26 0.15 135.00 143.61 1on0 n PRO 85 Ca 0.18 1.12 0.07 0.00 -0.04 0.00 0.00 63.50 64.83 1on0 n PRO 85 Cb 0.44 -2.31 0.24 0.00 -0.04 0.00 0.00 33.50 31.83 1on0 n PRO 85 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1on0 n GLN 86 N -4.36 2.61 -3.99 0.54 6.02 -1.26 -4.98 117.38 111.96 1on0 n GLN 86 Ca 0.39 -2.88 -0.25 0.00 -0.01 0.00 0.00 57.00 54.25 1on0 n GLN 86 Cb 1.57 -1.82 -0.08 0.00 1.02 0.00 0.00 30.24 30.93 1on0 n GLN 86 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1on0 n GLN 87 N -0.69 -0.95 -3.97 -1.09 1.13 0.39 -4.03 117.38 108.18 1on0 n GLN 87 Ca 0.23 0.07 -0.26 0.00 -1.94 0.00 0.00 57.00 55.10 1on0 n GLN 87 Cb 0.90 -2.93 -0.03 0.00 0.11 0.00 0.00 30.24 28.28 1on0 n GLN 87 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 1on0 s GLU 88 N -6.59 3.34 0.05 -1.09 -1.05 -1.26 -0.47 118.70 111.63 1on0 s GLU 88 Ca 0.00 -0.64 0.09 0.00 -0.15 0.00 0.00 54.97 54.27 1on0 s GLU 88 Cb -0.00 -2.91 -0.03 0.00 -0.44 0.00 0.00 34.13 30.75 1on0 s GLU 88 CO 0.82 0.52 -0.26 0.00 0.95 0.00 0.00 175.26 177.28 1on0 s ALA 89 N -1.74 2.26 -0.16 -0.84 0.00 0.75 -3.93 121.76 118.10 1on0 s ALA 89 Ca 0.34 -1.27 -0.09 0.00 0.00 0.00 0.00 51.96 50.94 1on0 s ALA 89 Cb -0.11 -0.48 -0.05 0.00 0.00 0.00 0.00 23.12 22.48 1on0 s ALA 89 CO 0.28 0.54 0.16 0.12 0.00 0.00 0.00 175.76 176.85 1on0 s PHE 90 N -0.81 3.51 -0.66 0.00 2.19 -0.24 -1.65 117.98 120.32 1on0 s PHE 90 Ca 0.12 0.46 -0.20 0.00 0.33 0.00 0.00 56.93 57.64 1on0 s PHE 90 Cb -0.10 -2.08 0.10 0.00 -1.31 0.00 0.00 43.02 39.63 1on0 s PHE 90 CO 0.02 0.50 0.84 0.42 1.83 0.00 0.00 175.22 178.83 1on0 s ILE 91 N -0.29 4.67 0.26 3.12 1.01 0.20 -0.37 121.20 129.78 1on0 s ILE 91 Ca 0.12 -0.90 0.13 0.00 0.00 0.00 0.00 60.65 60.00 1on0 s ILE 91 Cb -0.12 -4.59 0.03 0.00 0.01 0.00 0.00 42.46 37.79 1on0 s ILE 91 CO 0.02 -1.28 1.67 1.88 0.00 0.00 0.00 174.94 177.22 1on0 h TYR 92 N 9.23 0.00 -1.89 3.97 0.05 -1.31 -3.36 116.97 123.65 1on0 h TYR 92 Ca -0.23 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.53 1on0 h TYR 92 Cb 1.07 0.00 -0.21 0.00 1.01 0.00 0.00 36.73 38.61 1on0 h TYR 92 CO 0.93 0.53 0.26 0.34 -1.05 0.00 0.00 178.16 179.17 1on0 s ASP 93 N -6.75 -0.61 -0.29 3.88 -1.08 -1.10 -4.97 116.67 105.75 1on0 s ASP 93 Ca -0.01 0.81 -0.14 0.00 -0.52 0.00 0.00 52.55 52.69 1on0 s ASP 93 Cb 0.12 0.70 0.13 0.00 -1.46 0.00 0.00 42.92 42.41 1on0 s ASP 93 CO 0.74 -0.46 0.81 0.12 0.52 0.00 0.00 175.17 176.89 1on0 s PHE 94 N -0.78 -0.96 -0.11 -5.34 5.36 -1.26 -0.58 117.98 114.31 1on0 s PHE 94 Ca -0.06 1.77 -0.33 0.00 -0.96 0.00 0.00 56.93 57.35 1on0 s PHE 94 Cb -0.01 0.57 0.13 0.00 -0.34 0.00 0.00 43.02 43.37 1on0 s PHE 94 CO 0.06 -0.47 1.21 0.20 -1.46 0.00 0.00 175.22 174.75 1on0 s GLY 95 N 2.12 -0.34 0.12 13.12 0.00 -0.95 -5.02 107.32 116.38 1on0 s GLY 95 Ca -0.07 1.21 0.10 0.00 0.00 0.00 0.00 44.72 45.96 1on0 s GLY 95 CO -0.18 0.36 -0.26 1.08 0.00 0.00 0.00 173.10 174.11 1on0 s LEU 96 N -2.50 2.31 0.39 0.66 1.02 -1.26 -0.63 118.68 118.68 1on0 s LEU 96 Ca 0.11 -0.73 -0.25 0.00 0.02 0.00 0.00 54.13 53.27 1on0 s LEU 96 Cb 0.01 -1.15 -0.09 0.00 0.02 0.00 0.00 46.19 44.99 1on0 s LEU 96 CO -0.04 0.15 1.12 -0.31 0.02 0.00 0.00 176.35 177.29 1on0 s TYR 97 N -1.08 3.19 0.19 0.29 1.51 -0.36 -4.81 117.35 116.29 1on0 s TYR 97 Ca 0.12 1.60 -0.11 0.00 -1.01 0.00 0.00 57.07 57.67 1on0 s TYR 97 Cb -0.10 -3.28 0.24 0.00 -0.11 0.00 0.00 41.96 38.71 1on0 s TYR 97 CO 0.06 -0.99 1.22 -1.91 -1.11 0.00 0.00 175.55 172.82 1on0 n GLU 98 N 0.13 -0.15 0.20 -0.62 4.07 -1.26 0.89 120.64 123.90 1on0 n GLU 98 Ca 0.04 1.22 0.14 0.00 -0.06 0.00 0.00 57.16 58.50 1on0 n GLU 98 Cb 0.47 -1.81 0.74 0.00 -0.06 0.00 0.00 31.44 30.78 1on0 n GLU 98 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1on0 h PRO 99 N 0.00 0.00 -0.06 5.31 0.13 -1.96 -1.53 132.00 133.89 1on0 h PRO 99 Ca 0.31 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.39 1on0 h PRO 99 Cb 0.50 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.60 1on0 h PRO 99 CO -0.79 0.00 -0.50 0.66 -0.23 0.00 0.00 178.00 177.14 1on0 n TYR 100 N -2.46 0.22 -4.35 1.56 4.01 0.26 -5.03 117.16 111.38 1on0 n TYR 100 Ca -0.02 -1.55 -0.30 0.00 -0.16 0.00 0.00 57.90 55.87 1on0 n TYR 100 Cb 0.05 -0.27 -0.11 0.00 -0.31 0.00 0.00 39.34 38.70 1on0 n TYR 100 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1on0 s ARG 101 N -3.26 2.04 0.00 -0.72 3.52 -0.58 -4.63 118.95 115.32 1on0 s ARG 101 Ca 0.39 -1.04 0.00 0.00 -0.13 0.00 0.00 55.73 54.95 1on0 s ARG 101 Cb 0.37 -2.24 0.00 0.00 -1.56 0.00 0.00 34.95 31.53 1on0 s ARG 101 CO -0.06 0.51 0.00 0.41 -0.81 0.00 0.00 175.30 175.35 1on0 n GLY 102 N 0.96 0.50 0.00 8.12 0.00 -1.26 -4.92 105.19 108.59 1on0 n GLY 102 Ca -0.15 -0.89 0.05 0.00 0.00 0.00 0.00 46.02 45.03 1on0 n GLY 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1on0 n LYS 103 N -2.81 1.09 0.00 1.61 4.76 -1.26 -4.99 118.16 116.55 1on0 n LYS 103 Ca 0.00 -0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.37 1on0 n LYS 103 Cb 0.00 -1.19 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 1on0 n LYS 103 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1on0 n GLY 104 N 1.74 1.08 0.20 0.72 0.00 -1.26 -4.99 105.19 102.67 1on0 n GLY 104 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 1on0 n GLY 104 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1on0 h TYR 105 N 0.00 0.00 -0.27 1.61 0.05 -1.94 -3.15 116.97 113.27 1on0 h TYR 105 Ca 0.00 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.79 1on0 h TYR 105 Cb 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 1on0 h TYR 105 CO 0.00 0.33 0.16 0.00 -1.05 0.00 0.00 178.16 177.60 1on0 h ALA 106 N 1.67 0.34 -0.57 3.88 0.00 -1.94 0.22 119.26 122.86 1on0 h ALA 106 Ca -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1on0 h ALA 106 Cb 0.76 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1on0 h ALA 106 CO 0.04 -0.22 0.06 -0.22 0.00 0.00 0.00 179.25 178.91 1on0 h LYS 107 N 0.33 0.94 -0.48 0.00 3.64 -1.97 -0.81 116.57 118.22 1on0 h LYS 107 Ca 0.11 -0.24 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 1on0 h LYS 107 Cb -0.01 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 1on0 h LYS 107 CO -0.05 0.89 0.24 1.96 -2.27 0.00 0.00 179.45 180.22 1on0 h GLN 108 N 0.88 0.69 -0.62 1.90 4.20 -1.40 -1.00 115.11 119.75 1on0 h GLN 108 Ca 0.17 -0.10 0.03 0.00 0.06 0.00 0.00 58.65 58.82 1on0 h GLN 108 Cb 0.43 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 1on0 h GLN 108 CO 0.01 0.57 0.38 0.00 -0.67 0.00 0.00 178.83 179.13 1on0 h ALA 109 N 1.08 0.81 0.00 3.87 0.00 0.07 0.11 119.26 125.21 1on0 h ALA 109 Ca 0.17 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1on0 h ALA 109 Cb 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1on0 h ALA 109 CO -0.02 0.12 -0.27 -0.07 0.00 0.00 0.00 179.25 179.01 1on0 h LEU 110 N 0.75 0.00 -0.31 0.00 4.07 -0.82 0.29 115.31 119.29 1on0 h LEU 110 Ca 0.25 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 58.05 1on0 h LEU 110 Cb 0.03 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.77 1on0 h LEU 110 CO -0.11 0.27 -0.45 0.00 -1.08 0.00 0.00 178.44 177.06 1on0 h ALA 111 N 1.73 0.48 -0.17 1.53 0.00 0.09 -0.63 119.26 122.28 1on0 h ALA 111 Ca -0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1on0 h ALA 111 Cb 0.48 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1on0 h ALA 111 CO 0.03 0.63 -0.23 0.00 0.00 0.00 0.00 179.25 179.68 1on0 h ALA 112 N 0.71 1.29 -0.06 0.00 0.00 0.17 -1.50 119.26 119.87 1on0 h ALA 112 Ca 0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1on0 h ALA 112 Cb 1.06 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1on0 h ALA 112 CO 0.11 0.48 -0.03 1.25 0.00 0.00 0.00 179.25 181.06 1on0 h LEU 113 N 0.28 0.12 -1.21 0.00 6.46 -0.14 -0.70 115.31 120.13 1on0 h LEU 113 Ca 0.05 -0.41 0.07 0.00 -0.12 0.00 0.00 57.88 57.46 1on0 h LEU 113 Cb 0.57 -0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 40.41 1on0 h LEU 113 CO 0.04 0.51 0.56 0.44 -0.62 0.00 0.00 178.44 179.37 1on0 h ASP 114 N -0.26 0.84 -0.42 1.25 3.32 -0.81 0.45 116.42 120.79 1on0 h ASP 114 Ca 0.01 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 1on0 h ASP 114 Cb 0.46 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1on0 h ASP 114 CO 0.01 0.53 -0.18 -0.61 -1.72 0.00 0.00 179.24 177.27 1on0 h GLN 115 N 0.95 0.86 -0.21 3.56 4.15 -1.15 -2.10 115.11 121.17 1on0 h GLN 115 Ca 0.37 -0.37 -0.07 0.00 0.77 0.00 0.00 58.65 59.36 1on0 h GLN 115 Cb 0.23 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 1on0 h GLN 115 CO -0.14 1.01 -0.13 0.00 -1.93 0.00 0.00 178.83 177.64 1on0 h ALA 116 N 0.83 0.30 -0.27 3.38 0.00 0.07 -2.47 119.26 121.10 1on0 h ALA 116 Ca 0.10 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1on0 h ALA 116 Cb 0.74 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1on0 h ALA 116 CO 0.06 0.17 0.02 0.00 0.00 0.00 0.00 179.25 179.50 1on0 h ALA 117 N 0.69 0.26 -0.62 0.00 0.00 -0.14 -2.22 119.26 117.22 1on0 h ALA 117 Ca 0.04 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1on0 h ALA 117 Cb 0.64 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1on0 h ALA 117 CO 0.04 -0.39 0.35 -0.09 0.00 0.00 0.00 179.25 179.15 1on0 h ARG 118 N 0.11 0.63 -1.99 0.00 2.43 -1.35 0.85 114.38 115.06 1on0 h ARG 118 Ca 0.13 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1on0 h ARG 118 Cb 0.15 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1on0 h ARG 118 CO -0.20 0.42 0.00 -1.13 -1.51 0.00 0.00 179.97 177.55 1on0 n SER 119 N -4.80 2.38 0.00 -3.80 3.41 -0.84 -4.42 113.62 105.55 1on0 n SER 119 Ca 0.07 -1.62 0.00 0.00 -0.26 0.00 0.00 58.87 57.07 1on0 n SER 119 Cb 0.15 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1on0 n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1on0 n GLY 121 N 1.75 -0.68 3.66 5.00 0.00 -0.26 -5.09 105.19 109.56 1on0 n GLY 121 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1on0 n GLY 121 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1on0 s ILE 122 N 0.00 4.71 -1.99 -0.61 1.01 0.13 -4.93 121.20 119.52 1on0 s ILE 122 Ca 0.00 1.97 0.19 0.00 0.00 0.00 0.00 60.65 62.80 1on0 s ILE 122 Cb 0.00 -4.28 0.33 0.00 0.01 0.00 0.00 42.46 38.51 1on0 s ILE 122 CO 0.00 -0.16 1.26 0.54 0.00 0.00 0.00 174.94 176.58 1on0 n ARG 123 N 6.23 2.18 -3.70 2.79 1.74 0.38 -3.91 116.66 122.37 1on0 n ARG 123 Ca 0.11 -2.02 -0.14 0.00 -0.77 0.00 0.00 57.85 55.03 1on0 n ARG 123 Cb 0.46 -1.41 -0.09 0.00 -1.02 0.00 0.00 32.46 30.41 1on0 n ARG 123 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1on0 s LYS 124 N -1.30 0.65 0.01 5.56 2.20 -1.13 -4.94 119.74 120.80 1on0 s LYS 124 Ca 0.30 0.33 0.06 0.00 -0.36 0.00 0.00 55.97 56.30 1on0 s LYS 124 Cb 0.18 0.31 -0.02 0.00 -1.51 0.00 0.00 37.83 36.79 1on0 s LYS 124 CO 0.25 -0.14 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.42 1on0 s LEU 125 N -0.45 2.10 0.05 5.43 1.43 -1.26 -0.18 118.68 125.80 1on0 s LEU 125 Ca -0.06 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.65 1on0 s LEU 125 Cb -0.03 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.34 1on0 s LEU 125 CO 0.03 0.15 -0.03 -0.55 0.23 0.00 0.00 176.35 176.18 1on0 s SER 126 N -0.77 0.50 0.28 2.29 0.15 -0.66 -4.94 113.70 110.55 1on0 s SER 126 Ca 0.05 -0.90 -0.21 0.00 0.70 0.00 0.00 55.95 55.59 1on0 s SER 126 Cb -0.07 0.17 0.02 0.00 -1.71 0.00 0.00 66.02 64.43 1on0 s SER 126 CO 0.00 -0.53 0.73 -1.48 1.20 0.00 0.00 173.24 173.16 1on0 s LEU 127 N -2.64 -0.26 0.12 3.45 0.05 -1.26 0.58 118.68 118.72 1on0 s LEU 127 Ca 0.03 -0.61 0.11 0.00 0.05 0.00 0.00 54.13 53.71 1on0 s LEU 127 Cb 0.04 2.72 -0.04 0.00 -2.05 0.00 0.00 46.19 46.86 1on0 s LEU 127 CO -0.08 -1.34 -0.27 -2.28 -0.55 0.00 0.00 176.35 171.84 1on0 s HIS 128 N -3.90 2.32 -0.28 3.48 5.65 -1.26 -4.99 115.29 116.32 1on0 s HIS 128 Ca 0.11 -0.38 -0.12 0.00 0.25 0.00 0.00 55.06 54.92 1on0 s HIS 128 Cb -0.06 -1.26 0.10 0.00 -1.18 0.00 0.00 32.58 30.18 1on0 s HIS 128 CO 0.07 0.32 0.63 0.54 -0.65 0.00 0.00 174.74 175.65 1on0 s VAL 129 N -1.04 -0.54 0.58 0.89 0.11 -1.26 -5.02 120.40 114.12 1on0 s VAL 129 Ca 0.14 0.02 -0.19 0.00 -2.93 0.00 0.00 61.98 59.02 1on0 s VAL 129 Cb -0.10 -0.95 -0.06 0.00 -1.53 0.00 0.00 36.38 33.75 1on0 s VAL 129 CO 0.06 0.01 0.92 0.49 -3.33 0.00 0.00 175.10 173.25 1on0 n PHE 130 N 4.96 0.70 0.01 1.54 3.01 -1.26 -4.88 117.46 121.54 1on0 n PHE 130 Ca -0.15 0.44 -0.02 0.00 1.01 0.00 0.00 57.45 58.73 1on0 n PHE 130 Cb 0.53 -2.13 0.25 0.00 -0.01 0.00 0.00 39.48 38.12 1on0 n PHE 130 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1on0 h ALA 131 N 0.55 1.24 0.00 4.37 0.00 -1.98 -2.77 119.26 120.67 1on0 h ALA 131 Ca -0.48 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1on0 h ALA 131 Cb 1.36 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1on0 h ALA 131 CO 0.51 0.50 0.00 -2.39 0.00 0.00 0.00 179.25 177.86 1on0 n HIS 132 N -4.20 0.84 -1.96 0.00 1.44 -1.26 -3.91 115.22 106.18 1on0 n HIS 132 Ca 0.01 0.33 -0.41 0.00 -2.01 0.00 0.00 57.72 55.63 1on0 n HIS 132 Cb 0.32 -1.03 -0.00 0.00 0.12 0.00 0.00 29.99 29.40 1on0 n HIS 132 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 1on0 n ASN 133 N -2.27 6.33 0.25 4.39 2.85 -1.05 -4.72 115.26 121.05 1on0 n ASN 133 Ca 0.02 -2.98 0.10 0.00 -0.11 0.00 0.00 54.58 51.60 1on0 n ASN 133 Cb 0.23 -1.49 0.67 0.00 1.24 0.00 0.00 39.78 40.43 1on0 n ASN 133 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 1on0 h GLN 134 N 5.34 0.00 0.50 1.20 1.08 -1.83 -2.48 115.11 118.91 1on0 h GLN 134 Ca 0.60 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.78 1on0 h GLN 134 Cb 0.48 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.90 1on0 h GLN 134 CO 1.66 0.10 -0.36 1.79 -0.95 0.00 0.00 178.83 181.07 1on0 h THR 135 N 0.00 0.27 -0.49 -0.54 1.35 -1.94 -1.61 112.91 109.95 1on0 h THR 135 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 1on0 h THR 135 Cb 0.20 0.27 -0.02 0.00 -1.73 0.00 0.00 68.15 66.87 1on0 h THR 135 CO 0.01 0.00 0.27 0.00 -0.25 0.00 0.00 175.52 175.55 1on0 h ALA 136 N -0.44 0.63 -0.44 6.62 0.00 -1.93 -2.57 119.26 121.13 1on0 h ALA 136 Ca -0.05 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.85 1on0 h ALA 136 Cb 0.70 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 1on0 h ALA 136 CO 0.02 0.15 -0.12 0.00 0.00 0.00 0.00 179.25 179.31 1on0 h ARG 137 N 0.65 -0.01 0.43 0.00 3.08 -1.22 0.25 114.38 117.56 1on0 h ARG 137 Ca 0.17 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 1on0 h ARG 137 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1on0 h ARG 137 CO -0.03 -0.01 -0.27 0.87 -1.07 0.00 0.00 179.97 179.47 1on0 h LYS 138 N -0.01 -0.65 -0.80 0.04 1.79 -1.13 -0.66 116.57 115.16 1on0 h LYS 138 Ca 0.21 0.04 0.15 0.00 -2.18 0.00 0.00 60.65 58.88 1on0 h LYS 138 Cb 0.33 0.15 -0.10 0.00 -1.58 0.00 0.00 32.23 31.03 1on0 h LYS 138 CO -0.46 -0.43 0.35 1.25 -1.08 0.00 0.00 179.45 179.08 1on0 h LEU 139 N -0.67 0.36 -0.45 2.94 7.12 -0.99 0.27 115.31 123.88 1on0 h LEU 139 Ca -0.05 0.11 -0.02 0.00 0.13 0.00 0.00 57.88 58.05 1on0 h LEU 139 Cb 0.55 0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.73 1on0 h LEU 139 CO 0.05 0.13 0.20 1.88 -0.13 0.00 0.00 178.44 180.57 1on0 h TYR 140 N 0.49 0.67 -0.12 1.25 0.05 -0.18 -0.80 116.97 118.33 1on0 h TYR 140 Ca 0.44 -0.04 -0.05 0.00 0.05 0.00 0.00 58.73 59.13 1on0 h TYR 140 Cb 0.67 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 1on0 h TYR 140 CO -0.14 0.55 -0.16 0.93 -1.05 0.00 0.00 178.16 178.29 1on0 h GLU 141 N 0.59 0.19 0.00 4.88 5.08 0.47 0.23 114.58 126.02 1on0 h GLU 141 Ca 0.15 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 1on0 h GLU 141 Cb 0.15 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1on0 h GLU 141 CO -0.02 0.36 -0.40 1.96 -1.00 0.00 0.00 179.01 179.91 1on0 h GLN 142 N 0.18 0.00 -0.70 2.33 1.08 0.28 -2.78 115.11 115.50 1on0 h GLN 142 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1on0 h GLN 142 Cb 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1on0 h GLN 142 CO 0.03 0.40 0.00 0.25 -0.95 0.00 0.00 178.83 178.56 1on0 n THR 143 N -3.98 1.86 -0.27 -0.54 -2.24 -0.38 -4.88 114.28 103.85 1on0 n THR 143 Ca -0.02 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 1on0 n THR 143 Cb 0.44 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1on0 n THR 143 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1on0 n GLY 144 N 0.48 0.82 3.80 3.38 0.00 -1.05 -5.05 105.19 107.57 1on0 n GLY 144 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1on0 n GLY 144 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1on0 s PHE 145 N -2.65 2.97 -0.10 1.61 0.08 -0.02 -4.98 117.98 114.90 1on0 s PHE 145 Ca 0.00 1.55 -0.09 0.00 0.12 0.00 0.00 56.93 58.50 1on0 s PHE 145 Cb 0.00 -3.06 0.03 0.00 -0.57 0.00 0.00 43.02 39.42 1on0 s PHE 145 CO 0.00 -1.00 0.26 -1.14 -0.10 0.00 0.00 175.22 173.24 1on0 s GLN 146 N -3.60 0.31 0.37 0.44 0.74 -1.26 -3.99 119.66 112.67 1on0 s GLN 146 Ca 0.66 0.36 -0.27 0.00 0.05 0.00 0.00 55.36 56.15 1on0 s GLN 146 Cb -0.17 0.15 -0.11 0.00 1.10 0.00 0.00 33.01 33.98 1on0 s GLN 146 CO 0.28 -0.04 1.36 0.39 -0.55 0.00 0.00 175.29 176.73 1on0 n GLU 147 N 2.91 2.28 0.00 1.67 1.02 -1.26 -4.91 120.64 122.35 1on0 n GLU 147 Ca -0.13 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 1on0 n GLU 147 Cb 0.58 -2.46 0.00 0.00 -0.02 0.00 0.00 31.44 29.54 1on0 n GLU 147 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1on0 n THR 148 N 0.25 0.00 -4.00 2.62 -2.24 -1.26 -5.10 114.28 104.55 1on0 n THR 148 Ca 0.04 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.73 1on0 n THR 148 Cb 0.38 -0.33 -0.10 0.00 -2.10 0.00 0.00 70.33 68.17 1on0 n THR 148 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1on0 s ASP 149 N -1.73 0.30 -0.04 3.42 1.01 -1.26 -5.16 116.67 113.21 1on0 s ASP 149 Ca 0.00 -0.64 -0.02 0.00 0.71 0.00 0.00 52.55 52.59 1on0 s ASP 149 Cb 0.00 0.15 0.02 0.00 1.01 0.00 0.00 42.92 44.09 1on0 s ASP 149 CO 0.00 -0.41 0.09 -0.69 0.21 0.00 0.00 175.17 174.36 1on0 s VAL 150 N -2.30 -0.02 0.41 -1.27 1.01 -1.26 -5.13 120.40 111.83 1on0 s VAL 150 Ca -0.08 0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.05 1on0 s VAL 150 Cb -0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.16 1on0 s VAL 150 CO -0.04 0.03 0.27 -0.69 0.00 0.00 0.00 175.10 174.67 1on0 s VAL 151 N 0.44 2.53 -0.25 2.92 1.01 -1.26 -5.27 120.40 120.53 1on0 s VAL 151 Ca -0.03 -1.54 -0.37 0.00 0.00 0.00 0.00 61.98 60.04 1on0 s VAL 151 Cb -0.05 -3.00 0.16 0.00 0.00 0.00 0.00 36.38 33.49 1on0 s VAL 151 CO -0.02 -0.02 1.39 -0.94 0.00 0.00 0.00 175.10 175.52 1on0 s SER 153 N -4.00 -0.01 -0.15 3.32 1.04 -1.26 -5.03 113.70 107.61 1on0 s SER 153 Ca 0.44 -0.00 -0.12 0.00 0.48 0.00 0.00 55.95 56.75 1on0 s SER 153 Cb 0.00 0.02 0.05 0.00 0.10 0.00 0.00 66.02 66.18 1on0 s SER 153 CO 0.25 -0.03 0.39 -0.75 0.98 0.00 0.00 173.24 174.08 1on0 s LYS 154 N -2.04 0.42 -0.11 4.02 2.20 -1.26 -5.13 119.74 117.84 1on0 s LYS 154 Ca 0.12 0.63 -0.20 0.00 -0.36 0.00 0.00 55.97 56.17 1on0 s LYS 154 Cb 0.01 0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.40 1on0 s LYS 154 CO -0.03 -0.10 0.54 0.15 -0.36 0.00 0.00 175.35 175.55 1on0 s LYS 155 N 0.71 4.36 -0.20 4.03 1.02 -1.26 -4.96 119.74 123.44 1on0 s LYS 155 Ca -0.04 0.57 -0.22 0.00 0.02 0.00 0.00 55.97 56.30 1on0 s LYS 155 Cb -0.05 -3.44 -0.20 0.00 -0.52 0.00 0.00 37.83 33.62 1on0 s LYS 155 CO -0.05 0.12 0.26 -0.07 -0.92 0.00 0.00 175.35 174.69 1on0 h LEU 156 N 6.76 0.01 -1.24 3.17 3.38 -2.09 -3.58 115.31 121.72 1on0 h LEU 156 Ca -0.41 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.01 1on0 h LEU 156 Cb 1.18 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1on0 h LEU 156 CO 0.76 1.46 0.00 -0.11 0.09 0.00 0.00 178.44 180.64