#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 1.19 -0.11 -1.09 -0.04 -1.26 -3.40 135.00 130.30 1sm7 n PRO 2 Ca 0.00 0.00 0.27 0.00 -0.04 0.00 0.00 63.50 63.73 1sm7 n PRO 2 Cb 0.00 0.00 0.63 0.00 -0.04 0.00 0.00 33.50 34.09 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 0.00 0.54 5.75 -1.95 1.24 115.11 120.69 1sm7 h GLN 3 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1sm7 h GLN 3 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1sm7 h GLN 3 CO 0.00 0.00 0.00 1.17 -2.65 0.00 0.00 178.83 177.35 1sm7 n LYS 4 N -3.59 0.04 -0.02 1.69 0.00 -1.26 -1.10 118.16 113.92 1sm7 n LYS 4 Ca 0.17 0.32 0.05 0.00 0.00 0.00 0.00 58.31 58.85 1sm7 n LYS 4 Cb 1.11 -1.50 -0.12 0.00 0.00 0.00 0.00 35.03 34.52 1sm7 n LYS 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1sm7 h GLN 6 N 0.00 0.51 -0.00 0.00 4.20 -1.02 0.77 115.11 119.57 1sm7 h GLN 6 Ca -0.08 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1sm7 h GLN 6 Cb 0.94 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.61 1sm7 h GLN 6 CO 0.00 0.34 0.00 0.54 -0.67 0.00 0.00 178.83 179.04 1sm7 n ARG 7 N -4.94 1.01 -0.01 1.46 1.74 -1.24 -3.08 116.66 111.60 1sm7 n ARG 7 Ca 0.14 -0.01 0.03 0.00 -0.77 0.00 0.00 57.85 57.23 1sm7 n ARG 7 Cb 0.37 -1.24 -0.07 0.00 -1.02 0.00 0.00 32.46 30.50 1sm7 n ARG 7 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1sm7 n GLU 8 N -0.73 0.71 0.09 5.56 1.02 0.23 -3.67 120.64 123.86 1sm7 n GLU 8 Ca 0.12 -0.07 -0.17 0.00 -0.02 0.00 0.00 57.16 57.02 1sm7 n GLU 8 Cb 0.06 -1.22 -0.14 0.00 -0.02 0.00 0.00 31.44 30.12 1sm7 n GLU 8 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1sm7 h PHE 9 N 0.00 0.53 0.00 -0.32 3.04 -0.45 -3.28 116.94 116.45 1sm7 h PHE 9 Ca -0.04 -0.39 0.00 0.00 3.98 0.00 0.00 57.97 61.52 1sm7 h PHE 9 Cb 0.62 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.11 1sm7 h PHE 9 CO 0.00 1.35 -1.18 0.94 -2.02 0.00 0.00 178.31 177.40 1sm7 n GLN 10 N -3.52 0.19 -0.05 1.11 7.27 -1.21 -1.12 117.38 120.04 1sm7 n GLN 10 Ca -0.12 -0.04 -0.08 0.00 0.07 0.00 0.00 57.00 56.83 1sm7 n GLN 10 Cb 1.04 -1.49 -0.02 0.00 2.41 0.00 0.00 30.24 32.18 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 0.00 -0.25 0.00 3.69 -0.00 -1.63 -3.42 115.11 113.50 1sm7 h GLN 11 Ca 0.00 0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.65 1sm7 h GLN 11 Cb 0.59 0.06 -0.02 0.00 0.00 0.00 0.00 27.48 28.11 1sm7 h GLN 11 CO 0.00 -0.17 -0.04 -0.85 0.00 0.00 0.00 178.83 177.77 1sm7 n GLU 12 N -5.39 0.03 -2.70 1.69 0.28 -1.26 -5.01 120.64 108.29 1sm7 n GLU 12 Ca -0.01 -0.14 -0.08 0.00 -0.16 0.00 0.00 57.16 56.77 1sm7 n GLU 12 Cb 0.30 0.42 0.09 0.00 1.43 0.00 0.00 31.44 33.68 1sm7 n GLU 12 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1sm7 n GLN 13 N -0.04 1.17 0.00 3.44 7.27 -1.23 -5.11 117.38 122.88 1sm7 n GLN 13 Ca -0.04 -2.22 0.00 0.00 0.07 0.00 0.00 57.00 54.82 1sm7 n GLN 13 Cb 0.36 -0.44 0.00 0.00 2.41 0.00 0.00 30.24 32.56 1sm7 n GLN 13 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1sm7 n HIS 14 N -0.38 -0.04 -4.49 3.69 8.25 -0.28 -4.69 115.22 117.29 1sm7 n HIS 14 Ca 0.01 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.24 1sm7 n HIS 14 Cb 0.83 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.83 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 2.32 0.00 2.41 1.43 -1.26 -5.04 118.68 118.55 1sm7 s LEU 15 Ca 0.00 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 51.72 1sm7 s LEU 15 Cb 0.00 -0.49 0.00 0.00 0.03 0.00 0.00 46.19 45.73 1sm7 s LEU 15 CO 0.00 -0.58 0.00 -2.11 0.23 0.00 0.00 176.35 173.89 1sm7 n ARG 16 N -0.75 0.00 -0.32 1.70 0.00 -1.26 -4.74 116.66 111.29 1sm7 n ARG 16 Ca -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.80 1sm7 n ARG 16 Cb 0.67 0.00 0.01 0.00 -0.00 0.00 0.00 32.46 33.14 1sm7 n ARG 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1sm7 n ALA 17 N -1.21 -0.18 0.14 2.89 0.00 -1.26 0.84 120.51 121.73 1sm7 n ALA 17 Ca 0.00 0.78 -0.16 0.00 0.00 0.00 0.00 53.44 54.06 1sm7 n ALA 17 Cb 0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 19.45 19.05 1sm7 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sm7 n GLN 19 N -5.49 1.39 0.00 0.00 -0.00 0.12 -3.87 117.38 109.53 1sm7 n GLN 19 Ca -0.09 -0.84 0.00 0.00 -0.00 0.00 0.00 57.00 56.08 1sm7 n GLN 19 Cb 0.41 -1.33 0.00 0.00 -0.00 0.00 0.00 30.24 29.32 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 0.48 0.00 0.18 2.61 1.13 0.25 -4.77 117.38 117.25 1sm7 n GLN 20 Ca 0.16 0.00 0.16 0.00 -1.94 0.00 0.00 57.00 55.38 1sm7 n GLN 20 Cb 0.67 -0.18 0.77 0.00 0.11 0.00 0.00 30.24 31.61 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 0.00 0.00 1.08 5.08 0.41 0.42 115.95 122.94 1sm7 h TRP 21 Ca 0.00 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.90 1sm7 h TRP 21 Cb 0.00 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.15 1sm7 h TRP 21 CO 0.00 0.00 -0.32 0.82 -1.28 0.00 0.00 178.44 177.66 1sm7 h ILE 22 N 0.00 1.02 0.00 0.12 2.04 -1.78 -1.37 117.51 117.55 1sm7 h ILE 22 Ca 0.10 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.79 1sm7 h ILE 22 Cb 0.47 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1sm7 h ILE 22 CO -0.00 0.31 0.00 0.03 0.00 0.00 0.00 178.15 178.49 1sm7 h ARG 23 N 0.00 0.00 0.00 2.37 2.47 -0.47 -0.81 114.38 117.94 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 0.64 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.96 1sm7 h ARG 23 CO 0.04 0.00 0.00 1.04 0.56 0.00 0.00 179.97 181.61 1sm7 n GLN 24 N -2.96 0.03 0.00 0.04 1.13 -0.51 -1.71 117.38 113.39 1sm7 n GLN 24 Ca -0.01 0.26 0.13 0.00 -1.94 0.00 0.00 57.00 55.44 1sm7 n GLN 24 Cb 0.16 -1.50 0.52 0.00 0.11 0.00 0.00 30.24 29.52 1sm7 n GLN 24 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1sm7 n GLN 25 N -1.47 0.01 -2.94 -1.09 1.13 -0.31 -4.82 117.38 107.89 1sm7 n GLN 25 Ca 0.04 0.01 -0.40 0.00 -1.94 0.00 0.00 57.00 54.71 1sm7 n GLN 25 Cb 0.14 -1.51 -0.05 0.00 0.11 0.00 0.00 30.24 28.93 1sm7 n GLN 25 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1sm7 s LEU 26 N -3.07 4.51 -0.00 1.08 2.01 -0.70 -4.93 118.68 117.58 1sm7 s LEU 26 Ca 0.13 1.57 0.07 0.00 0.01 0.00 0.00 54.13 55.91 1sm7 s LEU 26 Cb 0.18 -3.31 0.20 0.00 0.01 0.00 0.00 46.19 43.28 1sm7 s LEU 26 CO 0.58 0.07 1.16 0.00 1.01 0.00 0.00 176.35 179.16 1sm7 n ALA 27 N 2.41 2.48 -3.66 4.21 0.00 -1.26 -4.52 120.51 120.16 1sm7 n ALA 27 Ca -0.03 -0.41 -0.29 0.00 0.00 0.00 0.00 53.44 52.71 1sm7 n ALA 27 Cb 0.49 -0.98 -0.13 0.00 0.00 0.00 0.00 19.45 18.83 1sm7 n ALA 27 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1sm7 s GLY 28 N -0.97 1.32 -0.44 0.00 0.00 -1.26 -5.01 107.32 100.96 1sm7 s GLY 28 Ca 0.15 -2.16 0.03 0.00 0.00 0.00 0.00 44.72 42.74 1sm7 s GLY 28 CO 0.10 1.68 0.83 -0.45 0.00 0.00 0.00 173.10 175.26 1sm7 s SER 29 N 0.88 -1.10 -1.05 1.64 0.15 -1.26 -5.05 113.70 107.91 1sm7 s SER 29 Ca 0.15 -1.09 -0.12 0.00 0.70 0.00 0.00 55.95 55.59 1sm7 s SER 29 Cb -0.22 1.43 -0.07 0.00 -1.71 0.00 0.00 66.02 65.44 1sm7 s SER 29 CO -0.07 -0.06 2.21 -0.81 1.20 0.00 0.00 173.24 175.70 1sm7 n PRO 30 N 3.20 2.27 -0.83 5.44 -0.04 -1.26 -4.94 135.00 138.85 1sm7 n PRO 30 Ca 0.14 -1.81 -0.27 0.00 -0.04 0.00 0.00 63.50 61.52 1sm7 n PRO 30 Cb 0.59 -2.73 -0.00 0.00 -0.04 0.00 0.00 33.50 31.31 1sm7 n PRO 30 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1sm7 n PHE 31 N 5.21 -1.20 -2.36 0.54 1.16 -1.26 -4.82 117.46 114.73 1sm7 n PHE 31 Ca 0.52 0.42 -0.40 0.00 -1.87 0.00 0.00 57.45 56.12 1sm7 n PHE 31 Cb 0.25 -1.14 0.01 0.00 -1.61 0.00 0.00 39.48 36.99 1sm7 n PHE 31 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1sm7 n SER 32 N 1.45 7.52 0.00 5.98 2.88 -1.26 -4.90 113.62 125.29 1sm7 n SER 32 Ca 0.08 -3.55 0.00 0.00 -1.33 0.00 0.00 58.87 54.07 1sm7 n SER 32 Cb 0.24 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 1sm7 n SER 32 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1sm7 n GLU 33 N 0.38 -1.00 -0.04 -1.46 -0.58 -1.26 -5.04 120.64 111.64 1sm7 n GLU 33 Ca 0.52 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 57.24 1sm7 n GLU 33 Cb 0.27 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.12 1sm7 n GLU 33 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1sm7 h ASN 34 N 0.00 -0.23 -2.83 1.62 4.21 -2.02 -3.44 115.58 112.90 1sm7 h ASN 34 Ca 0.00 0.03 0.08 0.00 1.21 0.00 0.00 56.30 57.63 1sm7 h ASN 34 Cb 0.00 0.10 -0.26 0.00 -1.12 0.00 0.00 38.32 37.04 1sm7 h ASN 34 CO 0.00 -0.03 0.34 -1.58 -1.29 0.00 0.00 177.43 174.88 1sm7 s GLN 35 N -3.27 0.47 -0.74 0.81 2.00 -1.26 -5.05 119.66 112.63 1sm7 s GLN 35 Ca -0.01 0.73 -0.09 0.00 -2.00 0.00 0.00 55.36 53.99 1sm7 s GLN 35 Cb 0.01 0.14 0.19 0.00 0.80 0.00 0.00 33.01 34.16 1sm7 s GLN 35 CO 0.07 -0.09 0.62 -0.46 -0.50 0.00 0.00 175.29 174.93 1sm7 s TRP 36 N 1.05 3.60 0.00 1.67 -0.11 -1.26 -4.03 118.94 119.86 1sm7 s TRP 36 Ca -0.06 -2.34 0.00 0.00 1.22 0.00 0.00 56.10 54.92 1sm7 s TRP 36 Cb -0.04 -3.53 0.00 0.00 -1.50 0.00 0.00 33.47 28.40 1sm7 s TRP 36 CO -0.13 -0.92 0.00 0.41 -4.62 0.00 0.00 176.95 171.69 1sm7 n GLY 37 N 3.72 0.72 0.00 5.86 0.00 -1.26 -4.91 105.19 109.31 1sm7 n GLY 37 Ca 0.11 -0.61 0.10 0.00 0.00 0.00 0.00 46.02 45.61 1sm7 n GLY 37 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sm7 n PRO 38 N 0.00 0.52 -0.08 1.61 -0.04 -1.25 0.10 135.00 135.86 1sm7 n PRO 38 Ca 0.00 0.03 -0.12 0.00 -0.04 0.00 0.00 63.50 63.37 1sm7 n PRO 38 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 1sm7 n PRO 38 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1sm7 h GLN 39 N 0.00 0.00 0.00 0.54 4.20 -1.93 -3.32 115.11 114.60 1sm7 h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1sm7 h GLN 39 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1sm7 h GLN 39 CO 0.00 0.50 -1.18 0.94 -0.67 0.00 0.00 178.83 178.42 1sm7 n GLN 40 N -4.56 1.12 -3.09 1.46 -0.06 -1.21 -4.60 117.38 106.43 1sm7 n GLN 40 Ca -0.16 -0.06 -0.21 0.00 -2.00 0.00 0.00 57.00 54.56 1sm7 n GLN 40 Cb 0.42 -1.33 -0.03 0.00 -4.06 0.00 0.00 30.24 25.23 1sm7 n GLN 40 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1sm7 n GLY 41 N 1.45 4.38 0.01 1.69 0.00 0.29 -4.88 105.19 108.12 1sm7 n GLY 41 Ca 0.01 -2.11 0.08 0.00 0.00 0.00 0.00 46.02 44.00 1sm7 n GLY 41 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sm7 n PRO 42 N 0.08 0.01 -2.31 1.61 -0.04 -1.17 -3.90 135.00 129.27 1sm7 n PRO 42 Ca 0.27 0.22 -0.42 0.00 -0.04 0.00 0.00 63.50 63.53 1sm7 n PRO 42 Cb 0.56 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 1sm7 n PRO 42 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1sm7 n SER 43 N -1.53 5.06 0.00 3.54 7.64 -1.26 -4.11 113.62 122.96 1sm7 n SER 43 Ca 0.04 -3.11 0.00 0.00 1.01 0.00 0.00 58.87 56.81 1sm7 n SER 43 Cb 0.20 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 61.92 1sm7 n SER 43 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1sm7 n LEU 44 N 3.89 0.71 -0.26 -3.43 4.77 -1.26 -4.52 117.00 116.91 1sm7 n LEU 44 Ca 0.40 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.32 1sm7 n LEU 44 Cb 0.36 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.52 1sm7 n LEU 44 CO 0.82 0.03 1.00 -0.09 -1.33 0.00 0.00 177.39 177.82 1sm7 h ARG 45 N 0.00 1.14 0.01 3.23 9.65 -1.92 0.70 114.38 127.20 1sm7 h ARG 45 Ca 0.00 -0.24 -0.20 0.00 -1.10 0.00 0.00 59.98 58.44 1sm7 h ARG 45 Cb 0.32 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.71 1sm7 h ARG 45 CO 0.00 0.97 -0.90 0.93 2.80 0.00 0.00 179.97 183.76 1sm7 h GLU 46 N 1.10 0.12 0.07 0.20 5.08 -1.87 -1.54 114.58 117.73 1sm7 h GLU 46 Ca 0.24 -0.15 -0.25 0.00 -1.00 0.00 0.00 59.36 58.20 1sm7 h GLU 46 Cb 0.30 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1sm7 h GLU 46 CO -0.01 0.94 -1.10 1.96 -1.00 0.00 0.00 179.01 179.81 1sm7 h GLN 47 N 0.06 0.35 -0.02 2.33 4.20 -1.71 -3.04 115.11 117.28 1sm7 h GLN 47 Ca -0.04 -0.46 -0.14 0.00 0.06 0.00 0.00 58.65 58.07 1sm7 h GLN 47 Cb 1.56 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 29.48 1sm7 h GLN 47 CO 0.13 1.17 -0.64 0.00 -0.67 0.00 0.00 178.83 178.81 1sm7 n ASN 50 N -1.03 3.77 0.20 0.00 4.05 -0.70 -4.14 115.26 117.41 1sm7 n ASN 50 Ca 0.16 0.00 0.14 0.00 0.45 0.00 0.00 54.58 55.34 1sm7 n ASN 50 Cb 0.09 0.00 0.50 0.00 1.23 0.00 0.00 39.78 41.60 1sm7 n ASN 50 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 177.26 175.26 1sm7 h GLU 51 N 0.00 0.00 0.00 1.20 4.11 0.74 -2.05 114.58 118.58 1sm7 h GLU 51 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1sm7 h GLU 51 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1sm7 h GLU 51 CO 0.00 0.00 -1.57 1.47 0.07 0.00 0.00 179.01 178.98 1sm7 n LEU 52 N -2.73 0.20 -1.41 3.06 -0.00 -0.46 -4.38 117.00 111.27 1sm7 n LEU 52 Ca 0.02 -0.12 0.08 0.00 -0.00 0.00 0.00 56.01 55.99 1sm7 n LEU 52 Cb 0.34 0.00 0.33 0.00 -0.00 0.00 0.00 43.42 44.09 1sm7 n LEU 52 CO 0.27 0.05 0.79 0.00 -0.00 0.00 0.00 177.39 178.50 1sm7 n TYR 53 N -1.94 1.48 -0.04 1.47 4.19 -0.99 -4.26 117.16 117.06 1sm7 n TYR 53 Ca -0.02 -0.74 -0.15 0.00 3.31 0.00 0.00 57.90 60.30 1sm7 n TYR 53 Cb 0.42 -0.36 -0.14 0.00 0.49 0.00 0.00 39.34 39.74 1sm7 n TYR 53 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1sm7 n GLN 54 N 0.32 0.69 -0.17 2.98 10.64 -0.81 -4.01 117.38 127.02 1sm7 n GLN 54 Ca 0.24 0.22 0.02 0.00 -1.83 0.00 0.00 57.00 55.65 1sm7 n GLN 54 Cb 0.99 -1.69 0.09 0.00 -0.86 0.00 0.00 30.24 28.78 1sm7 n GLN 54 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1sm7 n GLU 55 N -3.19 1.73 0.00 2.61 1.02 -1.26 -5.01 120.64 116.55 1sm7 n GLU 55 Ca -0.29 -0.73 0.00 0.00 -0.02 0.00 0.00 57.16 56.12 1sm7 n GLU 55 Cb 1.06 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 31.03 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 0.10 -0.11 0.02 1.62 -0.08 -1.26 -3.48 116.55 113.36 1sm7 n ASP 56 Ca 0.07 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.33 1sm7 n ASP 56 Cb 0.34 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.70 1sm7 n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sm7 n GLN 57 N -0.03 0.63 0.00 -0.67 3.00 -1.26 -3.46 117.38 115.58 1sm7 n GLN 57 Ca 0.00 0.23 0.09 0.00 -0.01 0.00 0.00 57.00 57.31 1sm7 n GLN 57 Cb 0.00 -1.79 0.48 0.00 0.00 0.00 0.00 30.24 28.93 1sm7 n GLN 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1sm7 n VAL 58 N -2.91 0.42 -1.59 5.09 0.31 -1.26 -1.62 118.33 116.77 1sm7 n VAL 58 Ca -0.12 0.10 0.06 0.00 -0.01 0.00 0.00 64.34 64.38 1sm7 n VAL 58 Cb 0.89 -0.79 0.19 0.00 -0.91 0.00 0.00 33.84 33.23 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 -1.08 0.00 -3.64 0.00 0.31 -0.64 -4.48 118.33 108.80 1sm7 n VAL 60 Ca 0.18 -0.21 -0.02 0.00 -0.01 0.00 0.00 64.34 64.28 1sm7 n VAL 60 Cb 0.70 0.79 -0.04 0.00 -0.91 0.00 0.00 33.84 34.38 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 0.56 0.61 -0.37 0.00 -0.04 -1.26 -4.28 135.00 130.23 1sm7 n PRO 62 Ca -0.01 0.00 0.28 0.00 -0.04 0.00 0.00 63.50 63.74 1sm7 n PRO 62 Cb 0.59 -1.03 0.54 0.00 -0.04 0.00 0.00 33.50 33.56 1sm7 n PRO 62 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1sm7 h THR 63 N 0.00 0.25 0.00 0.52 1.35 -1.83 1.03 112.91 114.23 1sm7 h THR 63 Ca 0.00 -0.08 -0.13 0.00 -0.55 0.00 0.00 66.41 65.65 1sm7 h THR 63 Cb 0.00 -0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 66.40 1sm7 h THR 63 CO 0.00 0.04 -0.61 -0.07 -0.25 0.00 0.00 175.52 174.63 1sm7 h LEU 64 N 0.23 0.00 -0.99 3.87 3.38 -1.78 -3.22 115.31 116.80 1sm7 h LEU 64 Ca 0.75 0.00 0.39 0.00 0.09 0.00 0.00 57.88 59.12 1sm7 h LEU 64 Cb 1.98 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 42.57 1sm7 h LEU 64 CO -0.52 0.61 0.57 1.17 0.09 0.00 0.00 178.44 180.36 1sm7 n LYS 65 N -3.29 -0.05 0.03 1.13 4.81 0.36 0.12 118.16 121.27 1sm7 n LYS 65 Ca 0.01 1.22 -0.08 0.00 -0.87 0.00 0.00 58.31 58.60 1sm7 n LYS 65 Cb 0.76 -2.25 -0.06 0.00 0.02 0.00 0.00 35.03 33.51 1sm7 n LYS 65 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1sm7 h GLN 66 N 0.00 -0.17 0.00 1.64 4.20 -1.59 0.88 115.11 120.07 1sm7 h GLN 66 Ca 0.78 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.50 1sm7 h GLN 66 Cb 2.18 0.04 0.00 0.00 0.30 0.00 0.00 27.48 30.00 1sm7 h GLN 66 CO -0.63 0.18 0.04 0.00 -0.67 0.00 0.00 178.83 177.75 1sm7 n ALA 67 N -2.66 0.95 -0.08 3.87 0.00 0.75 0.84 120.51 124.18 1sm7 n ALA 67 Ca -0.06 0.09 -0.08 0.00 0.00 0.00 0.00 53.44 53.39 1sm7 n ALA 67 Cb 0.21 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 1sm7 n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sm7 n ALA 68 N -1.59 0.63 -0.10 0.00 0.00 0.33 -3.78 120.51 115.98 1sm7 n ALA 68 Ca -0.01 -0.57 -0.10 0.00 0.00 0.00 0.00 53.44 52.76 1sm7 n ALA 68 Cb 0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.48 1sm7 n ALA 68 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1sm7 h LYS 69 N -1.00 0.50 -1.99 0.00 2.10 -0.52 -2.96 116.57 112.70 1sm7 h LYS 69 Ca -0.04 -0.12 -0.47 0.00 -2.00 0.00 0.00 60.65 58.03 1sm7 h LYS 69 Cb 0.74 -0.07 -0.17 0.00 -0.90 0.00 0.00 32.23 31.83 1sm7 h LYS 69 CO -0.02 0.56 0.33 0.43 -2.00 0.00 0.00 179.45 178.74 1sm7 n SER 70 N -4.66 6.37 -0.12 7.07 7.64 0.25 -4.16 113.62 126.00 1sm7 n SER 70 Ca -0.02 -3.14 -0.17 0.00 1.01 0.00 0.00 58.87 56.55 1sm7 n SER 70 Cb 0.18 -1.25 -0.11 0.00 -1.01 0.00 0.00 64.21 62.02 1sm7 n SER 70 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1sm7 n VAL 71 N 1.00 1.40 -0.01 0.44 3.14 -1.12 -4.66 118.33 118.52 1sm7 n VAL 71 Ca 0.48 -0.54 0.01 0.00 -2.96 0.00 0.00 64.34 61.34 1sm7 n VAL 71 Cb 0.58 -1.36 -0.05 0.00 -1.06 0.00 0.00 33.84 31.95 1sm7 n VAL 71 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1sm7 n ARG 72 N -3.21 1.02 -1.36 1.45 1.74 -1.26 -4.87 116.66 110.18 1sm7 n ARG 72 Ca -0.43 -0.04 -0.42 0.00 -0.77 0.00 0.00 57.85 56.18 1sm7 n ARG 72 Cb 0.96 -1.16 -0.13 0.00 -1.02 0.00 0.00 32.46 31.10 1sm7 n ARG 72 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 1sm7 n VAL 73 N -1.88 0.00 -1.75 1.55 3.14 -1.26 -4.49 118.33 113.64 1sm7 n VAL 73 Ca -0.04 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.33 1sm7 n VAL 73 Cb 0.33 -0.47 -0.00 0.00 -1.06 0.00 0.00 33.84 32.64 1sm7 n VAL 73 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1sm7 n GLN 74 N 7.79 0.03 0.00 1.45 -0.00 -1.26 -5.01 117.38 120.38 1sm7 n GLN 74 Ca 0.60 -0.14 0.00 0.00 -0.00 0.00 0.00 57.00 57.46 1sm7 n GLN 74 Cb 0.01 0.41 0.00 0.00 -0.00 0.00 0.00 30.24 30.67 1sm7 n GLN 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1sm7 n GLY 75 N -0.04 3.18 3.51 2.61 0.00 -1.26 -5.03 105.19 108.15 1sm7 n GLY 75 Ca -0.03 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 1sm7 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sm7 n GLN 76 N -0.79 2.46 0.00 1.61 0.00 -1.26 -4.56 117.38 114.84 1sm7 n GLN 76 Ca 0.00 -2.85 0.11 0.00 0.00 0.00 0.00 57.00 54.26 1sm7 n GLN 76 Cb 0.00 -3.56 0.02 0.00 0.00 0.00 0.00 30.24 26.71 1sm7 n GLN 76 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.06 174.67 1sm7 n HIS 77 N 10.68 0.00 -4.09 2.61 1.44 -1.26 -5.07 115.22 119.52 1sm7 n HIS 77 Ca 0.48 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.19 1sm7 n HIS 77 Cb 0.46 -0.04 0.00 0.00 0.12 0.00 0.00 29.99 30.52 1sm7 n HIS 77 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1sm7 n GLY 78 N 1.45 0.29 3.64 -1.39 0.00 -1.26 -4.74 105.19 103.18 1sm7 n GLY 78 Ca 0.07 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 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 0.00 3.96 0.00 1.61 0.04 -1.26 -4.25 135.00 135.10 1sm7 s PRO 79 Ca 0.00 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.56 1sm7 s PRO 79 Cb 0.00 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.63 1sm7 s PRO 79 CO 0.00 -1.07 0.00 0.34 0.04 0.00 0.00 177.00 176.31 1sm7 n PHE 80 N 7.62 0.00 -0.08 0.56 -0.00 -1.26 -4.97 117.46 119.33 1sm7 n PHE 80 Ca 0.16 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.52 1sm7 n PHE 80 Cb 0.46 0.00 0.04 0.00 -0.00 0.00 0.00 39.48 39.98 1sm7 n PHE 80 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1sm7 n GLN 81 N 0.00 1.44 0.00 -4.13 -0.00 -1.26 -2.67 117.38 110.76 1sm7 n GLN 81 Ca 0.00 -0.97 0.00 0.00 -0.00 0.00 0.00 57.00 56.03 1sm7 n GLN 81 Cb 0.00 -1.38 0.00 0.00 -0.00 0.00 0.00 30.24 28.86 1sm7 n GLN 81 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1sm7 n SER 82 N 0.26 0.00 -0.08 2.61 2.88 -1.26 -4.76 113.62 113.27 1sm7 n SER 82 Ca 0.19 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.51 1sm7 n SER 82 Cb 0.75 0.01 -0.12 0.00 -0.75 0.00 0.00 64.21 64.10 1sm7 n SER 82 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1sm7 n THR 83 N -1.84 1.60 0.26 2.46 5.66 -1.25 -3.48 114.28 117.69 1sm7 n THR 83 Ca 0.00 -0.20 -0.12 0.00 -3.05 0.00 0.00 64.05 60.67 1sm7 n THR 83 Cb 0.00 -1.95 -0.06 0.00 -1.55 0.00 0.00 70.33 66.76 1sm7 n THR 83 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 1sm7 h ARG 84 N -0.72 -0.68 -0.91 1.09 9.65 -1.87 0.46 114.38 121.40 1sm7 h ARG 84 Ca -0.38 0.05 0.24 0.00 -1.10 0.00 0.00 59.98 58.78 1sm7 h ARG 84 Cb 1.51 0.15 -0.13 0.00 -1.39 0.00 0.00 29.97 30.11 1sm7 h ARG 84 CO -0.14 -0.40 0.39 0.82 2.80 0.00 0.00 179.97 183.43 1sm7 h ILE 85 N -1.13 0.41 -0.23 1.20 1.08 -1.78 0.28 117.51 117.35 1sm7 h ILE 85 Ca -0.07 -0.12 -0.17 0.00 -0.39 0.00 0.00 64.86 64.11 1sm7 h ILE 85 Cb 0.58 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.37 1sm7 h ILE 85 CO 0.12 0.06 -0.50 1.88 -0.69 0.00 0.00 178.15 179.02 1sm7 h TYR 86 N 0.35 0.95 -0.01 1.37 -1.99 -1.56 0.46 116.97 116.54 1sm7 h TYR 86 Ca 0.59 -0.35 0.00 0.00 2.00 0.00 0.00 58.73 60.96 1sm7 h TYR 86 Cb 1.17 -0.17 -0.00 0.00 2.00 0.00 0.00 36.73 39.72 1sm7 h TYR 86 CO -0.14 1.15 0.28 0.37 -0.00 0.00 0.00 178.16 179.82 1sm7 h GLN 87 N 0.48 0.00 0.00 4.88 -0.00 0.36 0.91 115.11 121.74 1sm7 h GLN 87 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.44 1sm7 h GLN 87 Cb 1.11 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 28.56 1sm7 h GLN 87 CO 0.11 0.00 -1.79 -0.89 0.00 0.00 0.00 178.83 176.26 1sm7 n ILE 88 N -2.94 0.79 1.95 2.39 5.41 -0.73 -4.34 119.36 121.89 1sm7 n ILE 88 Ca -0.02 -0.42 0.10 0.00 1.00 0.00 0.00 62.75 63.40 1sm7 n ILE 88 Cb 0.33 -0.80 0.56 0.00 -0.71 0.00 0.00 39.64 39.01 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 -2.59 2.61 0.01 -1.39 0.00 0.16 -2.99 120.51 116.32 1sm7 n ALA 89 Ca -0.21 -0.15 -0.11 0.00 0.00 0.00 0.00 53.44 52.98 1sm7 n ALA 89 Cb 0.83 -1.30 -0.14 0.00 0.00 0.00 0.00 19.45 18.85 1sm7 n ALA 89 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1sm7 h LYS 90 N 0.15 0.06 -0.73 0.00 5.09 0.57 -3.22 116.57 118.50 1sm7 h LYS 90 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 60.65 60.63 1sm7 h LYS 90 Cb 0.03 0.04 0.00 0.00 0.10 0.00 0.00 32.23 32.40 1sm7 h LYS 90 CO 0.00 0.73 0.00 0.09 -2.09 0.00 0.00 179.45 178.18 1sm7 n ASN 91 N -3.20 2.58 -0.00 7.07 3.02 -1.16 -4.15 115.26 119.42 1sm7 n ASN 91 Ca -0.16 -2.29 -0.06 0.00 -0.03 0.00 0.00 54.58 52.04 1sm7 n ASN 91 Cb 1.03 -0.50 -0.05 0.00 -0.61 0.00 0.00 39.78 39.66 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 1.57 -0.10 0.00 3.41 3.38 -1.70 -1.88 115.31 119.99 1sm7 h LEU 92 Ca 0.00 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1sm7 h LEU 92 Cb 0.94 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1sm7 h LEU 92 CO 0.15 0.51 0.00 -0.81 0.09 0.00 0.00 178.44 178.38 1sm7 n PRO 93 N -4.82 0.70 -0.13 1.13 -0.04 -1.26 0.99 135.00 131.56 1sm7 n PRO 93 Ca -0.05 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.16 1sm7 n PRO 93 Cb 0.19 -1.45 -0.11 0.00 -0.04 0.00 0.00 33.50 32.09 1sm7 n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1sm7 n ASN 94 N -0.95 1.97 0.01 3.54 3.02 -1.24 -3.13 115.26 118.49 1sm7 n ASN 94 Ca 0.15 0.15 0.11 0.00 -0.03 0.00 0.00 54.58 54.96 1sm7 n ASN 94 Cb 0.07 -0.66 -0.04 0.00 -0.61 0.00 0.00 39.78 38.54 1sm7 n ASN 94 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1sm7 n VAL 95 N -3.85 0.10 -2.36 2.41 0.31 -0.71 -4.15 118.33 110.09 1sm7 n VAL 95 Ca -0.51 -0.23 -0.09 0.00 -0.01 0.00 0.00 64.34 63.50 1sm7 n VAL 95 Cb 0.93 0.35 0.05 0.00 -0.91 0.00 0.00 33.84 34.26 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 -0.59 0.00 -0.37 0.00 3.02 -1.19 -4.49 115.26 111.66 1sm7 n ASN 97 Ca 0.23 0.03 0.06 0.00 -0.03 0.00 0.00 54.58 54.87 1sm7 n ASN 97 Cb 0.89 -0.44 0.09 0.00 -0.61 0.00 0.00 39.78 39.71 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 4.09 0.74 -2.72 3.52 0.00 -1.26 -4.84 117.12 116.64 1sm7 n MET 98 Ca 0.34 -2.01 -0.06 0.00 0.00 0.00 0.00 57.70 55.97 1sm7 n MET 98 Cb 0.02 -1.04 0.05 0.00 0.00 0.00 0.00 33.22 32.26 1sm7 n MET 98 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1sm7 n LYS 99 N -0.75 0.51 0.12 3.17 4.81 -1.26 -4.55 118.16 120.22 1sm7 n LYS 99 Ca 0.10 -1.40 -0.03 0.00 -0.87 0.00 0.00 58.31 56.10 1sm7 n LYS 99 Cb 0.70 -1.00 0.12 0.00 0.02 0.00 0.00 35.03 34.87 1sm7 n LYS 99 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 1sm7 h GLN 100 N 3.90 0.05 0.00 1.64 -0.00 -1.94 -3.35 115.11 115.40 1sm7 h GLN 100 Ca -0.14 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.47 1sm7 h GLN 100 Cb 1.10 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.59 1sm7 h GLN 100 CO 0.11 0.70 0.00 1.51 0.00 0.00 0.00 178.83 181.15 1sm7 n ILE 101 N -3.76 0.00 0.00 2.39 0.13 -1.26 -4.97 119.36 111.88 1sm7 n ILE 101 Ca -0.01 0.94 0.00 0.00 -1.10 0.00 0.00 62.75 62.58 1sm7 n ILE 101 Cb 0.66 -1.69 0.00 0.00 -0.84 0.00 0.00 39.64 37.77 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 -0.67 -0.01 0.09 4.50 0.00 -1.26 -5.09 105.19 102.75 1sm7 n GLY 102 Ca 0.00 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 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 0.69 -1.71 2.61 1.03 -1.87 -3.44 112.91 110.22 1sm7 h THR 103 Ca 0.00 -1.85 -0.49 0.00 -0.01 0.00 0.00 66.41 64.06 1sm7 h THR 103 Cb 0.00 1.64 -0.34 0.00 -1.07 0.00 0.00 68.15 68.38 1sm7 h THR 103 CO 0.00 0.23 -0.96 0.00 -0.01 0.00 0.00 175.52 174.79 1sm7 s PRO 105 N -0.55 2.62 -0.29 0.00 0.04 -1.26 -4.79 135.00 130.78 1sm7 s PRO 105 Ca 0.34 1.10 -0.25 0.00 0.04 0.00 0.00 61.00 62.23 1sm7 s PRO 105 Cb 0.15 -1.95 0.15 0.00 0.04 0.00 0.00 34.50 32.89 1sm7 s PRO 105 CO -0.15 -1.35 1.17 0.12 0.04 0.00 0.00 177.00 176.84 1sm7 s PHE 106 N -2.90 -0.33 0.00 0.56 5.36 -1.26 -5.04 117.98 114.37 1sm7 s PHE 106 Ca 0.60 0.80 0.00 0.00 -0.96 0.00 0.00 56.93 57.37 1sm7 s PHE 106 Cb -0.16 0.40 0.00 0.00 -0.34 0.00 0.00 43.02 42.92 1sm7 s PHE 106 CO 0.54 -0.16 0.00 0.44 -1.46 0.00 0.00 175.22 174.58 1sm7 n ILE 107 N 2.02 0.00 -1.34 3.12 -5.35 -1.26 -4.83 119.36 111.72 1sm7 n ILE 107 Ca -0.12 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.01 1sm7 n ILE 107 Cb 0.56 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 38.38 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 1.90 0.23 -1.28 0.00 -1.26 -5.01 120.51 115.09 1sm7 n ALA 108 Ca 0.00 -2.94 0.03 0.00 0.00 0.00 0.00 53.44 50.53 1sm7 n ALA 108 Cb 0.00 -3.57 0.02 0.00 0.00 0.00 0.00 19.45 15.90 1sm7 n ALA 108 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94