#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sm7 n PRO 2 N 0.00 1.08 -0.40 2.61 -0.04 -1.26 -4.54 135.00 132.45 1sm7 n PRO 2 Ca 0.00 0.00 0.39 0.00 -0.04 0.00 0.00 63.50 63.85 1sm7 n PRO 2 Cb 0.00 0.00 0.76 0.00 -0.04 0.00 0.00 33.50 34.22 1sm7 n PRO 2 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1sm7 h GLN 3 N 0.00 0.00 -1.11 0.54 5.75 -2.00 0.21 115.11 118.50 1sm7 h GLN 3 Ca 0.00 0.00 0.39 0.00 -0.15 0.00 0.00 58.65 58.89 1sm7 h GLN 3 Cb 0.00 0.00 -0.15 0.00 1.07 0.00 0.00 27.48 28.40 1sm7 h GLN 3 CO 0.00 0.00 0.66 -0.22 -2.65 0.00 0.00 178.83 176.62 1sm7 h LYS 4 N 0.00 0.14 -0.41 1.69 3.64 -1.96 0.23 116.57 119.90 1sm7 h LYS 4 Ca 0.64 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 60.09 1sm7 h LYS 4 Cb 2.61 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 34.31 1sm7 h LYS 4 CO -0.01 0.09 -0.38 0.00 -2.27 0.00 0.00 179.45 176.88 1sm7 h GLN 6 N -0.29 0.03 0.00 0.00 1.08 -0.72 0.78 115.11 116.00 1sm7 h GLN 6 Ca 0.16 -0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.32 1sm7 h GLN 6 Cb 0.57 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.98 1sm7 h GLN 6 CO -0.57 0.02 -0.19 0.00 -0.95 0.00 0.00 178.83 177.15 1sm7 h ARG 7 N 0.03 0.00 -0.09 1.46 3.08 -1.24 -3.16 114.38 114.47 1sm7 h ARG 7 Ca 0.87 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.94 1sm7 h ARG 7 Cb 2.94 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 32.98 1sm7 h ARG 7 CO -0.34 0.94 0.08 0.93 -1.07 0.00 0.00 179.97 180.52 1sm7 h GLU 8 N -1.00 0.00 0.10 0.04 4.39 0.21 0.53 114.58 118.85 1sm7 h GLU 8 Ca -0.05 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.39 1sm7 h GLU 8 Cb 0.99 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.67 1sm7 h GLU 8 CO -0.03 0.00 -1.09 0.35 -1.16 0.00 0.00 179.01 177.08 1sm7 h PHE 9 N 0.00 0.89 -0.02 4.33 3.04 0.25 -3.24 116.94 122.19 1sm7 h PHE 9 Ca 0.04 -0.56 0.00 0.00 3.98 0.00 0.00 57.97 61.43 1sm7 h PHE 9 Cb 0.20 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 38.64 1sm7 h PHE 9 CO 0.00 1.41 -0.04 0.94 -2.02 0.00 0.00 178.31 178.59 1sm7 n GLN 10 N -3.91 1.86 0.22 1.11 7.27 -0.81 -1.34 117.38 121.78 1sm7 n GLN 10 Ca -0.13 -1.33 -0.15 0.00 0.07 0.00 0.00 57.00 55.46 1sm7 n GLN 10 Cb 0.92 -1.47 -0.08 0.00 2.41 0.00 0.00 30.24 32.01 1sm7 n GLN 10 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 1sm7 h GLN 11 N 3.26 -0.53 0.00 3.69 -0.00 0.01 -3.43 115.11 118.10 1sm7 h GLN 11 Ca 0.00 0.04 -0.03 0.00 -0.00 0.00 0.00 58.65 58.66 1sm7 h GLN 11 Cb 0.72 0.12 -0.03 0.00 0.00 0.00 0.00 27.48 28.29 1sm7 h GLN 11 CO 0.00 -0.25 -0.07 -0.85 0.00 0.00 0.00 178.83 177.66 1sm7 n GLU 12 N -5.25 0.00 -2.75 1.69 0.28 -1.26 -4.99 120.64 108.36 1sm7 n GLU 12 Ca -0.11 -0.23 -0.09 0.00 -0.16 0.00 0.00 57.16 56.57 1sm7 n GLU 12 Cb 0.28 0.26 0.07 0.00 1.43 0.00 0.00 31.44 33.48 1sm7 n GLU 12 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1sm7 n GLN 13 N 0.00 1.13 0.00 3.44 6.02 -1.21 -5.12 117.38 121.64 1sm7 n GLN 13 Ca -0.06 -2.44 0.00 0.00 -0.01 0.00 0.00 57.00 54.49 1sm7 n GLN 13 Cb 0.34 -0.74 0.00 0.00 1.02 0.00 0.00 30.24 30.86 1sm7 n GLN 13 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1sm7 n HIS 14 N -0.18 -0.15 -4.28 1.08 8.25 -0.45 -4.66 115.22 114.83 1sm7 n HIS 14 Ca 0.05 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.25 1sm7 n HIS 14 Cb 0.80 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.82 1sm7 n HIS 14 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1sm7 s LEU 15 N 0.00 3.04 0.00 2.41 1.43 -1.26 -5.05 118.68 119.25 1sm7 s LEU 15 Ca 0.00 -1.17 0.00 0.00 -1.03 0.00 0.00 54.13 51.93 1sm7 s LEU 15 Cb 0.00 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 44.95 1sm7 s LEU 15 CO 0.00 -0.52 0.00 0.54 0.23 0.00 0.00 176.35 176.60 1sm7 n ARG 16 N -1.16 0.00 0.23 1.70 1.74 -1.26 -4.64 116.66 113.27 1sm7 n ARG 16 Ca -0.02 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.11 1sm7 n ARG 16 Cb 0.65 0.00 0.29 0.00 -1.02 0.00 0.00 32.46 32.38 1sm7 n ARG 16 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sm7 h ALA 17 N 0.15 1.44 0.01 7.54 0.00 -1.95 0.38 119.26 126.83 1sm7 h ALA 17 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 1sm7 h ALA 17 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1sm7 h ALA 17 CO 0.00 -0.44 -1.85 0.00 0.00 0.00 0.00 179.25 176.96 1sm7 n GLN 19 N -4.26 1.77 0.00 0.00 -0.00 0.37 -4.11 117.38 111.15 1sm7 n GLN 19 Ca -0.41 -1.66 0.00 0.00 -0.00 0.00 0.00 57.00 54.93 1sm7 n GLN 19 Cb 0.80 -1.65 0.00 0.00 -0.00 0.00 0.00 30.24 29.39 1sm7 n GLN 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1sm7 n GLN 20 N -0.09 0.00 -0.18 2.61 1.13 0.11 -4.64 117.38 116.32 1sm7 n GLN 20 Ca 0.32 0.00 0.10 0.00 -1.94 0.00 0.00 57.00 55.48 1sm7 n GLN 20 Cb 0.87 -0.48 0.40 0.00 0.11 0.00 0.00 30.24 31.14 1sm7 n GLN 20 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 1sm7 h TRP 21 N 0.00 0.68 -0.07 1.08 5.08 -1.69 0.10 115.95 121.14 1sm7 h TRP 21 Ca 0.00 0.02 -0.13 0.00 1.08 0.00 0.00 58.89 59.86 1sm7 h TRP 21 Cb 0.00 -0.22 -0.01 0.00 -3.00 0.00 0.00 29.16 25.93 1sm7 h TRP 21 CO 0.00 0.32 -0.56 0.82 -1.28 0.00 0.00 178.44 177.74 1sm7 h ILE 22 N 0.64 1.38 0.00 0.12 2.04 -1.87 -2.31 117.51 117.50 1sm7 h ILE 22 Ca 0.34 -1.88 0.00 0.00 1.00 0.00 0.00 64.86 64.32 1sm7 h ILE 22 Cb 0.47 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1sm7 h ILE 22 CO -0.12 0.55 0.00 0.03 0.00 0.00 0.00 178.15 178.61 1sm7 h ARG 23 N 0.15 0.00 -0.18 2.37 2.47 -1.15 -2.70 114.38 115.34 1sm7 h ARG 23 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1sm7 h ARG 23 Cb 1.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.35 1sm7 h ARG 23 CO 0.08 0.00 0.00 0.94 0.56 0.00 0.00 179.97 181.55 1sm7 n GLN 24 N -2.75 1.64 0.01 0.04 7.27 -0.17 -3.67 117.38 119.74 1sm7 n GLN 24 Ca 0.02 -0.98 0.11 0.00 0.07 0.00 0.00 57.00 56.22 1sm7 n GLN 24 Cb 0.33 -1.34 -0.08 0.00 2.41 0.00 0.00 30.24 31.56 1sm7 n GLN 24 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1sm7 n GLN 25 N 0.22 0.30 -2.12 3.69 7.27 -1.02 -4.86 117.38 120.87 1sm7 n GLN 25 Ca 0.14 -0.06 -0.36 0.00 0.07 0.00 0.00 57.00 56.80 1sm7 n GLN 25 Cb 0.28 -1.54 0.02 0.00 2.41 0.00 0.00 30.24 31.41 1sm7 n GLN 25 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1sm7 s LEU 26 N -3.79 3.75 0.33 1.69 2.01 -1.24 -4.87 118.68 116.56 1sm7 s LEU 26 Ca 0.02 2.33 0.13 0.00 0.01 0.00 0.00 54.13 56.61 1sm7 s LEU 26 Cb 0.15 -4.53 1.01 0.00 0.01 0.00 0.00 46.19 42.83 1sm7 s LEU 26 CO 0.85 -1.38 1.69 0.00 1.01 0.00 0.00 176.35 178.52 1sm7 h ALA 27 N 1.17 1.89 0.00 4.21 0.00 -1.93 -2.76 119.26 121.84 1sm7 h ALA 27 Ca -0.50 0.17 -0.48 0.00 0.00 0.00 0.00 54.91 54.09 1sm7 h ALA 27 Cb 1.28 0.10 0.06 0.00 0.00 0.00 0.00 17.79 19.23 1sm7 h ALA 27 CO 0.56 -0.46 1.93 0.41 0.00 0.00 0.00 179.25 181.70 1sm7 n GLY 28 N -1.30 2.04 2.51 0.00 0.00 -1.26 -4.60 105.19 102.58 1sm7 n GLY 28 Ca 0.30 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 1sm7 n GLY 28 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sm7 n SER 29 N 6.79 2.72 -3.94 1.61 2.88 -1.04 -4.99 113.62 117.64 1sm7 n SER 29 Ca 0.40 -3.30 -0.30 0.00 -1.33 0.00 0.00 58.87 54.34 1sm7 n SER 29 Cb 0.29 -0.61 0.22 0.00 -0.75 0.00 0.00 64.21 63.35 1sm7 n SER 29 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1sm7 s PRO 30 N -2.63 -0.38 -0.32 -1.46 0.04 -1.26 -5.07 135.00 123.92 1sm7 s PRO 30 Ca 0.42 -0.24 -0.01 0.00 0.04 0.00 0.00 61.00 61.21 1sm7 s PRO 30 Cb 0.25 -1.71 0.13 0.00 0.04 0.00 0.00 34.50 33.21 1sm7 s PRO 30 CO -0.09 -3.12 0.21 -0.06 0.04 0.00 0.00 177.00 173.97 1sm7 s PHE 31 N -3.43 0.30 0.00 0.56 0.40 -1.26 -4.41 117.98 110.14 1sm7 s PHE 31 Ca 0.73 -1.06 0.00 0.00 -0.60 0.00 0.00 56.93 55.99 1sm7 s PHE 31 Cb -0.07 -0.79 0.00 0.00 0.51 0.00 0.00 43.02 42.67 1sm7 s PHE 31 CO 0.55 -0.86 0.00 0.43 0.70 0.00 0.00 175.22 176.04 1sm7 n SER 32 N 4.69 0.00 -0.49 1.36 7.64 -1.26 -4.94 113.62 120.62 1sm7 n SER 32 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1sm7 n SER 32 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 1sm7 n SER 32 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1sm7 n GLU 33 N 0.00 0.00 -4.06 1.43 1.02 -1.26 -5.09 120.64 112.69 1sm7 n GLU 33 Ca 0.00 -0.34 -0.24 0.00 -0.02 0.00 0.00 57.16 56.56 1sm7 n GLU 33 Cb 0.00 -0.17 -0.17 0.00 -0.02 0.00 0.00 31.44 31.08 1sm7 n GLU 33 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1sm7 s ASN 34 N -0.34 1.76 -0.30 1.62 -0.87 -1.26 -5.09 114.94 110.46 1sm7 s ASN 34 Ca 0.00 -0.23 -0.14 0.00 -1.57 0.00 0.00 52.86 50.93 1sm7 s ASN 34 Cb 0.00 -0.69 0.18 0.00 -0.02 0.00 0.00 41.25 40.72 1sm7 s ASN 34 CO 0.00 -0.09 1.09 0.00 -2.57 0.00 0.00 177.10 175.52 1sm7 s GLN 35 N 1.41 0.15 0.10 -0.60 0.00 -1.26 -4.59 119.66 114.87 1sm7 s GLN 35 Ca -0.02 0.26 -0.24 0.00 -0.00 0.00 0.00 55.36 55.36 1sm7 s GLN 35 Cb -0.13 0.14 -0.08 0.00 0.00 0.00 0.00 33.01 32.94 1sm7 s GLN 35 CO -0.04 -0.18 1.39 -1.49 0.00 0.00 0.00 175.29 174.98 1sm7 h TRP 36 N 7.93 -1.24 0.00 9.60 4.06 -1.97 -3.42 115.95 130.91 1sm7 h TRP 36 Ca -0.12 0.06 -0.08 0.00 2.06 0.00 0.00 58.89 60.81 1sm7 h TRP 36 Cb 1.17 0.58 -0.11 0.00 -1.00 0.00 0.00 29.16 29.80 1sm7 h TRP 36 CO 0.05 -0.35 0.08 0.41 -3.56 0.00 0.00 178.44 175.07 1sm7 n GLY 37 N -1.26 -1.77 0.15 1.49 0.00 -1.26 -5.03 105.19 97.51 1sm7 n GLY 37 Ca -0.02 0.99 0.01 0.00 0.00 0.00 0.00 46.02 47.00 1sm7 n GLY 37 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sm7 h PRO 38 N 2.44 0.00 -0.71 1.61 0.13 -1.83 0.52 132.00 134.17 1sm7 h PRO 38 Ca -0.30 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.91 1sm7 h PRO 38 Cb 1.23 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.29 1sm7 h PRO 38 CO -0.10 0.56 0.36 1.96 -0.23 0.00 0.00 178.00 180.55 1sm7 h GLN 39 N 0.00 0.60 0.00 0.86 1.08 -1.95 -0.26 115.11 115.43 1sm7 h GLN 39 Ca -0.01 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.09 1sm7 h GLN 39 Cb 1.16 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.44 1sm7 h GLN 39 CO 0.07 0.39 -1.87 0.94 -0.95 0.00 0.00 178.83 177.42 1sm7 n GLN 40 N -4.85 0.71 -3.11 1.46 7.27 -1.24 -4.69 117.38 112.93 1sm7 n GLN 40 Ca 0.11 -0.13 -0.23 0.00 0.07 0.00 0.00 57.00 56.82 1sm7 n GLN 40 Cb 0.26 -1.42 -0.04 0.00 2.41 0.00 0.00 30.24 31.45 1sm7 n GLN 40 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1sm7 n GLY 41 N 1.61 4.53 0.12 1.69 0.00 0.18 -4.95 105.19 108.38 1sm7 n GLY 41 Ca -0.08 -2.27 -0.05 0.00 0.00 0.00 0.00 46.02 43.62 1sm7 n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sm7 h PRO 42 N 3.22 -0.19 -3.42 1.61 0.13 -1.17 -3.31 132.00 128.88 1sm7 h PRO 42 Ca 0.12 0.01 -0.71 0.00 -0.87 0.00 0.00 66.00 64.55 1sm7 h PRO 42 Cb 0.73 0.04 -0.06 0.00 0.13 0.00 0.00 31.00 31.84 1sm7 h PRO 42 CO 0.67 -0.00 2.99 0.43 -0.23 0.00 0.00 178.00 181.86 1sm7 n SER 43 N -4.90 6.08 -0.10 1.44 7.64 -1.26 -4.73 113.62 117.79 1sm7 n SER 43 Ca -0.04 -2.87 -0.05 0.00 1.01 0.00 0.00 58.87 56.92 1sm7 n SER 43 Cb 0.14 -1.55 0.02 0.00 -1.01 0.00 0.00 64.21 61.80 1sm7 n SER 43 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1sm7 h LEU 44 N 8.07 -0.06 -2.16 -3.43 4.07 -1.87 0.70 115.31 120.64 1sm7 h LEU 44 Ca 0.64 0.07 0.03 0.00 0.08 0.00 0.00 57.88 58.69 1sm7 h LEU 44 Cb 0.49 0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.33 1sm7 h LEU 44 CO 1.75 0.01 0.29 0.03 -1.08 0.00 0.00 178.44 179.43 1sm7 h ARG 45 N 0.15 0.00 0.00 1.13 2.47 -1.85 1.01 114.38 117.30 1sm7 h ARG 45 Ca 0.17 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.75 1sm7 h ARG 45 Cb 0.22 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.51 1sm7 h ARG 45 CO -0.26 0.00 -1.63 0.39 0.56 0.00 0.00 179.97 179.03 1sm7 n GLU 46 N -3.18 0.64 -0.11 0.04 1.02 0.71 -3.48 120.64 116.27 1sm7 n GLU 46 Ca -0.00 0.09 -0.23 0.00 -0.02 0.00 0.00 57.16 56.99 1sm7 n GLU 46 Cb 0.37 -1.71 -0.11 0.00 -0.02 0.00 0.00 31.44 29.97 1sm7 n GLU 46 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1sm7 n GLN 47 N -2.71 0.57 -0.03 3.49 6.02 0.21 -3.54 117.38 121.39 1sm7 n GLN 47 Ca -0.11 0.51 -0.09 0.00 -0.01 0.00 0.00 57.00 57.30 1sm7 n GLN 47 Cb 0.79 -1.69 -0.03 0.00 1.02 0.00 0.00 30.24 30.33 1sm7 n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sm7 n ASN 50 N -2.45 0.20 0.00 0.00 3.02 -0.49 -4.03 115.26 111.50 1sm7 n ASN 50 Ca -0.02 0.09 0.13 0.00 -0.03 0.00 0.00 54.58 54.75 1sm7 n ASN 50 Cb 0.11 1.00 0.39 0.00 -0.61 0.00 0.00 39.78 40.67 1sm7 n ASN 50 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1sm7 n GLU 51 N -2.69 0.01 -0.04 3.52 0.28 0.25 -1.87 120.64 120.10 1sm7 n GLU 51 Ca -0.22 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 56.79 1sm7 n GLU 51 Cb 0.98 -1.51 -0.14 0.00 1.43 0.00 0.00 31.44 32.20 1sm7 n GLU 51 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 1sm7 n LEU 52 N -1.52 0.00 -0.09 -1.84 -0.00 0.14 -4.52 117.00 109.17 1sm7 n LEU 52 Ca 0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.96 1sm7 n LEU 52 Cb 0.34 0.20 -0.15 0.00 -0.00 0.00 0.00 43.42 43.81 1sm7 n LEU 52 CO 0.32 0.20 -1.09 0.00 -0.00 0.00 0.00 177.39 176.81 1sm7 n TYR 53 N -2.38 0.16 0.05 1.47 4.19 -1.23 -4.01 117.16 115.41 1sm7 n TYR 53 Ca -0.15 0.05 0.20 0.00 3.31 0.00 0.00 57.90 61.31 1sm7 n TYR 53 Cb 0.76 -1.03 0.72 0.00 0.49 0.00 0.00 39.34 40.28 1sm7 n TYR 53 CO 0.00 0.00 0.00 -0.56 0.91 0.00 0.00 176.86 177.21 1sm7 h GLN 54 N 0.00 0.00 -0.20 2.98 3.07 -1.60 0.92 115.11 120.27 1sm7 h GLN 54 Ca -0.52 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.22 1sm7 h GLN 54 Cb 2.17 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.73 1sm7 h GLN 54 CO 0.02 0.00 0.00 0.39 0.09 0.00 0.00 178.83 179.33 1sm7 n GLU 55 N -4.19 1.07 -0.02 0.06 1.02 -1.26 -5.02 120.64 112.32 1sm7 n GLU 55 Ca 0.08 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1sm7 n GLU 55 Cb 0.56 -1.11 -0.00 0.00 -0.02 0.00 0.00 31.44 30.86 1sm7 n GLU 55 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1sm7 n ASP 56 N -0.34 -0.72 0.13 1.62 2.03 0.32 -3.63 116.55 115.95 1sm7 n ASP 56 Ca 0.01 0.02 0.07 0.00 0.52 0.00 0.00 54.79 55.41 1sm7 n ASP 56 Cb 0.07 -0.05 0.04 0.00 -0.72 0.00 0.00 41.12 40.46 1sm7 n ASP 56 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1sm7 h GLN 57 N 0.00 0.00 0.00 -0.67 7.50 -1.84 -3.27 115.11 116.83 1sm7 h GLN 57 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1sm7 h GLN 57 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.54 1sm7 h GLN 57 CO 0.00 0.19 0.00 0.28 -1.50 0.00 0.00 178.83 177.80 1sm7 n VAL 58 N -2.99 0.15 -0.90 -0.54 0.31 -1.26 -2.14 118.33 110.95 1sm7 n VAL 58 Ca -0.00 0.04 0.08 0.00 -0.01 0.00 0.00 64.34 64.45 1sm7 n VAL 58 Cb 0.65 -0.60 0.16 0.00 -0.91 0.00 0.00 33.84 33.13 1sm7 n VAL 58 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sm7 n VAL 60 N -1.02 0.05 0.00 0.00 0.31 -0.91 -4.06 118.33 112.70 1sm7 n VAL 60 Ca 0.15 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1sm7 n VAL 60 Cb 0.65 0.10 0.00 0.00 -0.91 0.00 0.00 33.84 33.69 1sm7 n VAL 60 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sm7 n PRO 62 N -0.19 0.26 -0.27 0.00 -0.04 -1.26 -4.73 135.00 128.77 1sm7 n PRO 62 Ca 0.00 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.54 1sm7 n PRO 62 Cb 0.00 -1.00 0.21 0.00 -0.04 0.00 0.00 33.50 32.67 1sm7 n PRO 62 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1sm7 h THR 63 N 0.00 0.44 -0.10 0.52 2.02 -1.83 0.13 112.91 114.09 1sm7 h THR 63 Ca 0.00 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.03 1sm7 h THR 63 Cb 0.00 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 1sm7 h THR 63 CO 0.00 0.05 -0.25 -0.07 0.37 0.00 0.00 175.52 175.61 1sm7 h LEU 64 N 0.25 0.17 -1.82 2.58 3.38 -1.70 -1.17 115.31 116.99 1sm7 h LEU 64 Ca 0.46 -0.05 0.32 0.00 0.09 0.00 0.00 57.88 58.70 1sm7 h LEU 64 Cb 0.83 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 1sm7 h LEU 64 CO -0.56 0.43 0.92 0.50 0.09 0.00 0.00 178.44 179.81 1sm7 h LYS 65 N 0.16 0.00 0.00 1.13 3.64 -1.02 0.18 116.57 120.65 1sm7 h LYS 65 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1sm7 h LYS 65 Cb 0.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1sm7 h LYS 65 CO 0.04 0.00 -0.00 1.96 -2.27 0.00 0.00 179.45 179.17 1sm7 h GLN 66 N 0.00 0.00 -0.95 1.90 4.20 -1.15 -0.29 115.11 118.82 1sm7 h GLN 66 Ca 0.53 0.00 0.30 0.00 0.06 0.00 0.00 58.65 59.53 1sm7 h GLN 66 Cb 2.35 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 29.97 1sm7 h GLN 66 CO -0.01 0.00 0.28 0.00 -0.67 0.00 0.00 178.83 178.44 1sm7 h ALA 67 N -1.09 1.53 -0.12 3.87 0.00 -1.41 0.49 119.26 122.53 1sm7 h ALA 67 Ca 0.00 0.27 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 1sm7 h ALA 67 Cb 0.00 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1sm7 h ALA 67 CO 0.00 -0.62 -0.24 0.00 0.00 0.00 0.00 179.25 178.39 1sm7 h ALA 68 N 1.90 0.19 -0.03 0.00 0.00 -1.12 -2.43 119.26 117.76 1sm7 h ALA 68 Ca 0.66 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1sm7 h ALA 68 Cb 1.47 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 1sm7 h ALA 68 CO -0.76 0.16 0.04 0.87 0.00 0.00 0.00 179.25 179.57 1sm7 h LYS 69 N -0.06 0.00 -0.16 0.00 1.79 0.94 0.41 116.57 119.48 1sm7 h LYS 69 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1sm7 h LYS 69 Cb 0.83 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 1sm7 h LYS 69 CO 0.05 0.00 0.00 0.45 -1.08 0.00 0.00 179.45 178.87 1sm7 n SER 70 N -3.80 1.71 0.11 0.86 2.88 0.15 -3.81 113.62 111.72 1sm7 n SER 70 Ca -0.02 -1.71 0.10 0.00 -1.33 0.00 0.00 58.87 55.91 1sm7 n SER 70 Cb 0.13 -0.10 0.01 0.00 -0.75 0.00 0.00 64.21 63.50 1sm7 n SER 70 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1sm7 h VAL 71 N 2.29 0.06 0.12 2.46 3.04 -0.40 -3.35 116.25 120.47 1sm7 h VAL 71 Ca 0.00 -1.11 -0.31 0.00 -1.01 0.00 0.00 66.70 64.27 1sm7 h VAL 71 Cb 0.50 1.62 -0.01 0.00 -2.01 0.00 0.00 31.29 31.40 1sm7 h VAL 71 CO 0.00 0.03 -1.58 0.08 -1.01 0.00 0.00 177.57 175.09 1sm7 h ARG 72 N 0.00 0.25 -5.49 4.17 0.11 -1.65 -3.46 114.38 108.31 1sm7 h ARG 72 Ca -0.01 -0.43 -0.54 0.00 0.10 0.00 0.00 59.98 59.10 1sm7 h ARG 72 Cb 1.06 0.16 -0.04 0.00 1.11 0.00 0.00 29.97 32.26 1sm7 h ARG 72 CO 0.01 1.10 1.61 0.28 0.10 0.00 0.00 179.97 183.07 1sm7 n VAL 73 N -3.44 0.02 -3.13 0.08 0.31 -1.26 -4.83 118.33 106.07 1sm7 n VAL 73 Ca -0.18 -0.31 -0.20 0.00 -0.01 0.00 0.00 64.34 63.64 1sm7 n VAL 73 Cb 1.05 -1.49 -0.04 0.00 -0.91 0.00 0.00 33.84 32.45 1sm7 n VAL 73 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1sm7 n GLN 74 N 8.53 0.83 0.00 5.55 -0.06 -1.26 -5.06 117.38 125.91 1sm7 n GLN 74 Ca 0.50 -3.10 0.00 0.00 -2.00 0.00 0.00 57.00 52.41 1sm7 n GLN 74 Cb 0.23 -1.40 0.00 0.00 -4.06 0.00 0.00 30.24 25.01 1sm7 n GLN 74 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1sm7 n GLY 75 N 0.96 1.63 3.08 1.69 0.00 -1.26 -4.39 105.19 106.89 1sm7 n GLY 75 Ca 0.21 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1sm7 n GLY 75 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sm7 s GLN 76 N 0.00 2.11 0.00 1.61 -0.21 -1.26 -5.02 119.66 116.88 1sm7 s GLN 76 Ca 0.00 -2.16 0.00 0.00 0.02 0.00 0.00 55.36 53.22 1sm7 s GLN 76 Cb 0.00 -3.55 0.00 0.00 1.00 0.00 0.00 33.01 30.46 1sm7 s GLN 76 CO 0.00 -1.09 0.00 1.58 -2.12 0.00 0.00 175.29 173.66 1sm7 n HIS 77 N 4.00 0.00 -3.74 0.91 -0.00 -1.26 -5.18 115.22 109.95 1sm7 n HIS 77 Ca 0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.21 1sm7 n HIS 77 Cb 0.39 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.26 1sm7 n HIS 77 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1sm7 n GLY 78 N 5.00 -0.52 3.59 1.57 0.00 -1.26 -5.09 105.19 108.47 1sm7 n GLY 78 Ca 0.00 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 1sm7 n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sm7 s PRO 79 N -1.48 3.34 0.00 1.61 0.04 -1.26 -4.02 135.00 133.24 1sm7 s PRO 79 Ca 0.00 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.84 1sm7 s PRO 79 Cb 0.00 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.42 1sm7 s PRO 79 CO 0.00 -1.86 0.00 0.34 0.04 0.00 0.00 177.00 175.52 1sm7 n PHE 80 N 9.71 0.00 0.06 0.56 -0.00 -1.26 -5.01 117.46 121.52 1sm7 n PHE 80 Ca 0.16 0.00 -0.06 0.00 -0.00 0.00 0.00 57.45 57.55 1sm7 n PHE 80 Cb 0.49 0.00 -0.04 0.00 -0.00 0.00 0.00 39.48 39.93 1sm7 n PHE 80 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.76 178.72 1sm7 h GLN 81 N 0.00 -0.25 -1.29 -4.13 1.08 -1.97 -3.31 115.11 105.25 1sm7 h GLN 81 Ca 0.00 0.02 0.45 0.00 -1.45 0.00 0.00 58.65 57.66 1sm7 h GLN 81 Cb 0.00 0.06 -0.13 0.00 -0.05 0.00 0.00 27.48 27.36 1sm7 h GLN 81 CO 0.00 -0.05 0.83 0.45 -0.95 0.00 0.00 178.83 179.11 1sm7 n SER 82 N -4.94 0.19 0.00 1.46 2.88 -1.26 0.04 113.62 111.99 1sm7 n SER 82 Ca -0.05 1.28 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 1sm7 n SER 82 Cb 0.16 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 1sm7 n SER 82 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1sm7 n THR 83 N -4.55 0.00 0.08 2.46 -1.04 -1.24 -1.58 114.28 108.40 1sm7 n THR 83 Ca 0.38 1.36 -0.12 0.00 -2.04 0.00 0.00 64.05 63.63 1sm7 n THR 83 Cb 1.47 -2.09 -0.04 0.00 -1.82 0.00 0.00 70.33 67.85 1sm7 n THR 83 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1sm7 h ARG 84 N 0.00 0.30 -0.76 -2.82 2.43 -1.04 -2.03 114.38 110.46 1sm7 h ARG 84 Ca 0.00 -0.34 0.17 0.00 -0.81 0.00 0.00 59.98 59.00 1sm7 h ARG 84 Cb 0.00 0.10 -0.12 0.00 -0.42 0.00 0.00 29.97 29.53 1sm7 h ARG 84 CO 0.00 1.05 0.15 0.82 -1.51 0.00 0.00 179.97 180.48 1sm7 h ILE 85 N 0.16 0.44 0.13 1.20 1.08 -0.46 0.44 117.51 120.50 1sm7 h ILE 85 Ca -0.07 -0.08 -0.29 0.00 -0.39 0.00 0.00 64.86 64.03 1sm7 h ILE 85 Cb 1.59 0.20 0.02 0.00 -3.07 0.00 0.00 36.82 35.57 1sm7 h ILE 85 CO 0.15 0.04 -1.24 1.88 -0.69 0.00 0.00 178.15 178.29 1sm7 h TYR 86 N 0.22 0.88 0.00 1.37 -1.99 -1.23 -0.76 116.97 115.47 1sm7 h TYR 86 Ca 0.44 -0.57 0.00 0.00 2.00 0.00 0.00 58.73 60.60 1sm7 h TYR 86 Cb 0.78 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 39.44 1sm7 h TYR 86 CO -0.30 1.42 0.05 0.37 -0.00 0.00 0.00 178.16 179.71 1sm7 h GLN 87 N 0.22 0.00 0.00 4.88 4.15 -0.35 0.41 115.11 124.42 1sm7 h GLN 87 Ca -0.18 0.00 -0.25 0.00 0.77 0.00 0.00 58.65 59.00 1sm7 h GLN 87 Cb 1.92 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 29.56 1sm7 h GLN 87 CO 0.23 0.00 -1.92 -0.89 -1.93 0.00 0.00 178.83 174.32 1sm7 n ILE 88 N -2.50 0.92 1.05 2.39 5.41 -0.01 -4.41 119.36 122.21 1sm7 n ILE 88 Ca -0.02 -0.54 0.02 0.00 1.00 0.00 0.00 62.75 63.21 1sm7 n ILE 88 Cb 0.10 -0.71 0.07 0.00 -0.71 0.00 0.00 39.64 38.39 1sm7 n ILE 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1sm7 n ALA 89 N -2.56 2.64 -0.03 -1.39 0.00 -0.29 -3.28 120.51 115.59 1sm7 n ALA 89 Ca -0.23 -0.32 -0.00 0.00 0.00 0.00 0.00 53.44 52.89 1sm7 n ALA 89 Cb 0.92 -1.01 -0.09 0.00 0.00 0.00 0.00 19.45 19.27 1sm7 n ALA 89 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1sm7 n LYS 90 N 0.03 1.32 -0.00 0.00 -0.00 0.01 -4.30 118.16 115.22 1sm7 n LYS 90 Ca 0.05 -0.06 0.14 0.00 -0.00 0.00 0.00 58.31 58.45 1sm7 n LYS 90 Cb 0.29 -1.29 0.77 0.00 -0.00 0.00 0.00 35.03 34.80 1sm7 n LYS 90 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1sm7 n ASN 91 N -2.19 0.31 0.11 -5.58 3.02 -1.20 -3.97 115.26 105.76 1sm7 n ASN 91 Ca -0.11 -1.20 -0.05 0.00 -0.03 0.00 0.00 54.58 53.19 1sm7 n ASN 91 Cb 0.61 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.75 1sm7 n ASN 91 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1sm7 h LEU 92 N 0.47 -0.30 0.00 3.41 3.38 -1.75 -3.07 115.31 117.46 1sm7 h LEU 92 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1sm7 h LEU 92 Cb 0.10 0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1sm7 h LEU 92 CO 0.00 0.09 0.00 -0.81 0.09 0.00 0.00 178.44 177.81 1sm7 n PRO 93 N -4.63 0.55 0.05 1.13 -0.04 -1.26 -0.44 135.00 130.37 1sm7 n PRO 93 Ca -0.04 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.22 1sm7 n PRO 93 Cb 0.14 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.96 1sm7 n PRO 93 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1sm7 h ASN 94 N 0.00 0.46 0.00 3.54 2.35 -1.69 -2.92 115.58 117.32 1sm7 h ASN 94 Ca 0.00 -0.75 0.00 0.00 -0.55 0.00 0.00 56.30 55.00 1sm7 h ASN 94 Cb 0.00 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.22 1sm7 h ASN 94 CO 0.00 1.64 -0.90 0.52 -1.65 0.00 0.00 177.43 177.04 1sm7 n VAL 95 N -3.48 0.00 -2.41 2.81 0.31 -1.02 -4.39 118.33 110.15 1sm7 n VAL 95 Ca -0.23 -0.15 -0.15 0.00 -0.01 0.00 0.00 64.34 63.81 1sm7 n VAL 95 Cb 1.06 0.89 0.03 0.00 -0.91 0.00 0.00 33.84 34.90 1sm7 n VAL 95 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sm7 n ASN 97 N -0.60 -0.15 -0.05 0.00 3.02 -1.10 -4.59 115.26 111.79 1sm7 n ASN 97 Ca 0.28 -0.04 0.03 0.00 -0.03 0.00 0.00 54.58 54.82 1sm7 n ASN 97 Cb 0.87 -0.32 0.04 0.00 -0.61 0.00 0.00 39.78 39.75 1sm7 n ASN 97 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 1sm7 n MET 98 N 3.05 1.95 -3.21 3.52 0.00 -1.26 -4.84 117.12 116.33 1sm7 n MET 98 Ca 0.28 -1.61 -0.12 0.00 0.00 0.00 0.00 57.70 56.24 1sm7 n MET 98 Cb 0.03 -1.03 -0.05 0.00 0.00 0.00 0.00 33.22 32.17 1sm7 n MET 98 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 1sm7 s LYS 99 N -1.29 0.81 -0.03 3.17 2.20 -1.26 -4.70 119.74 118.64 1sm7 s LYS 99 Ca 0.08 -0.98 -0.25 0.00 -0.36 0.00 0.00 55.97 54.46 1sm7 s LYS 99 Cb 0.07 -0.52 -0.19 0.00 -1.51 0.00 0.00 37.83 35.68 1sm7 s LYS 99 CO 0.01 -1.25 1.18 0.37 -0.36 0.00 0.00 175.35 175.29 1sm7 h GLN 100 N 6.39 -0.09 -0.13 4.03 -0.00 -1.97 -3.34 115.11 120.01 1sm7 h GLN 100 Ca 0.09 0.01 0.01 0.00 -0.00 0.00 0.00 58.65 58.75 1sm7 h GLN 100 Cb 1.07 0.02 -0.02 0.00 0.00 0.00 0.00 27.48 28.55 1sm7 h GLN 100 CO 0.16 0.39 -0.07 1.51 0.00 0.00 0.00 178.83 180.81 1sm7 n ILE 101 N -4.89 -0.09 0.00 2.39 0.13 -1.26 -4.94 119.36 110.70 1sm7 n ILE 101 Ca -0.09 1.59 0.00 0.00 -1.10 0.00 0.00 62.75 63.15 1sm7 n ILE 101 Cb 0.26 -2.09 0.00 0.00 -0.84 0.00 0.00 39.64 36.97 1sm7 n ILE 101 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1sm7 n GLY 102 N -1.03 0.67 0.13 4.50 0.00 -1.25 -5.06 105.19 103.14 1sm7 n GLY 102 Ca 0.00 -0.80 -0.18 0.00 0.00 0.00 0.00 46.02 45.03 1sm7 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sm7 h THR 103 N 0.00 1.45 -2.27 2.61 1.03 -1.89 -3.37 112.91 110.47 1sm7 h THR 103 Ca 0.00 -2.22 -0.61 0.00 -0.01 0.00 0.00 66.41 63.57 1sm7 h THR 103 Cb 0.00 2.77 -0.41 0.00 -1.07 0.00 0.00 68.15 69.44 1sm7 h THR 103 CO 0.00 0.64 -0.49 0.00 -0.01 0.00 0.00 175.52 175.66 1sm7 n PRO 105 N 0.16 1.57 -2.40 0.00 -0.04 -1.26 -4.88 135.00 128.14 1sm7 n PRO 105 Ca 0.31 -0.85 -0.32 0.00 -0.04 0.00 0.00 63.50 62.60 1sm7 n PRO 105 Cb 0.39 -1.96 -0.03 0.00 -0.04 0.00 0.00 33.50 31.85 1sm7 n PRO 105 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1sm7 s PHE 106 N 1.88 3.40 0.00 0.54 -0.71 -1.26 -4.81 117.98 117.02 1sm7 s PHE 106 Ca 0.46 1.48 0.00 0.00 -1.04 0.00 0.00 56.93 57.83 1sm7 s PHE 106 Cb 0.20 -2.82 0.00 0.00 -1.21 0.00 0.00 43.02 39.19 1sm7 s PHE 106 CO -0.01 -0.42 0.00 0.44 -1.34 0.00 0.00 175.22 173.90 1sm7 n ILE 107 N -1.53 0.00 -0.82 -4.49 -5.35 -1.26 -5.01 119.36 100.90 1sm7 n ILE 107 Ca 0.07 0.00 -0.23 0.00 -0.27 0.00 0.00 62.75 62.32 1sm7 n ILE 107 Cb 0.54 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.41 1sm7 n ILE 107 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sm7 n ALA 108 N 0.00 5.16 0.84 -1.28 0.00 -1.26 -5.07 120.51 118.89 1sm7 n ALA 108 Ca 0.00 -2.14 0.10 0.00 0.00 0.00 0.00 53.44 51.40 1sm7 n ALA 108 Cb 0.00 -2.97 0.08 0.00 0.00 0.00 0.00 19.45 16.56 1sm7 n ALA 108 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94