#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 2.12 0.00 2.61 -0.04 -1.26 -4.91 135.00 133.52 1sm7 n PRO 2 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1sm7 n PRO 2 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1sm7 n PRO 2 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1sm7 n GLN 3 N 0.00 3.59 0.09 0.54 7.27 -1.26 -4.28 117.38 123.34 1sm7 n GLN 3 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.02 1sm7 n GLN 3 Cb 0.00 -0.96 -0.02 0.00 2.41 0.00 0.00 30.24 31.66 1sm7 n GLN 3 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 1sm7 h LYS 4 N 0.00 -0.32 -0.34 3.69 3.64 -1.96 -2.60 116.57 118.68 1sm7 h LYS 4 Ca 0.00 0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 1sm7 h LYS 4 Cb 0.92 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 1sm7 h LYS 4 CO 0.00 -0.21 -0.28 0.00 -2.27 0.00 0.00 179.45 176.68 1sm7 h GLN 6 N 0.60 0.78 0.00 0.00 4.20 -1.74 0.57 115.11 119.51 1sm7 h GLN 6 Ca 0.07 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1sm7 h GLN 6 Cb 0.78 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1sm7 h GLN 6 CO 0.06 0.52 0.00 0.54 -0.67 0.00 0.00 178.83 179.28 1sm7 n ARG 7 N -4.48 0.69 0.00 1.46 1.74 -0.89 -1.63 116.66 113.55 1sm7 n ARG 7 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1sm7 n ARG 7 Cb 0.21 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 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 -0.59 0.00 -0.08 5.56 1.02 0.07 -4.20 120.64 122.42 1sm7 n GLU 8 Ca 0.03 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.02 1sm7 n GLU 8 Cb 0.01 -0.76 -0.05 0.00 -0.02 0.00 0.00 31.44 30.62 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 0.98 0.00 -0.32 3.04 -0.05 -3.17 116.94 117.42 1sm7 h PHE 9 Ca 0.00 -0.34 0.00 0.00 3.98 0.00 0.00 57.97 61.61 1sm7 h PHE 9 Cb 0.70 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 39.02 1sm7 h PHE 9 CO 0.00 1.14 -1.27 0.94 -2.02 0.00 0.00 178.31 177.11 1sm7 n GLN 10 N -4.11 0.37 -0.33 1.11 7.27 -0.65 -2.06 117.38 118.99 1sm7 n GLN 10 Ca -0.05 -0.06 -0.01 0.00 0.07 0.00 0.00 57.00 56.95 1sm7 n GLN 10 Cb 0.58 -1.47 0.04 0.00 2.41 0.00 0.00 30.24 31.80 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 -0.04 0.00 3.69 -0.00 -1.64 -3.41 115.11 113.71 1sm7 h GLN 11 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1sm7 h GLN 11 Cb 0.63 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.12 1sm7 h GLN 11 CO 0.00 -0.03 0.00 -0.85 0.00 0.00 0.00 178.83 177.95 1sm7 n GLU 12 N -5.48 0.00 -2.76 1.69 0.28 -1.26 -5.03 120.64 108.08 1sm7 n GLU 12 Ca 0.09 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 57.00 1sm7 n GLU 12 Cb 0.40 0.00 0.08 0.00 1.43 0.00 0.00 31.44 33.35 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 0.00 1.10 0.00 3.44 7.27 -1.25 -5.12 117.38 122.82 1sm7 n GLN 13 Ca 0.00 -2.20 0.00 0.00 0.07 0.00 0.00 57.00 54.87 1sm7 n GLN 13 Cb 0.00 -0.72 0.00 0.00 2.41 0.00 0.00 30.24 31.93 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 -0.10 -0.30 -4.24 3.69 8.25 -0.87 -4.69 115.22 116.97 1sm7 n HIS 14 Ca 0.05 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.27 1sm7 n HIS 14 Cb 0.77 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.81 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 3.10 0.00 2.41 1.43 -1.26 -4.96 118.68 119.39 1sm7 s LEU 15 Ca 0.00 -0.91 0.00 0.00 -1.03 0.00 0.00 54.13 52.19 1sm7 s LEU 15 Cb 0.00 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.71 1sm7 s LEU 15 CO 0.00 -0.27 0.00 0.54 0.23 0.00 0.00 176.35 176.85 1sm7 n ARG 16 N -1.04 0.00 -0.14 1.70 5.12 -1.26 -4.77 116.66 116.26 1sm7 n ARG 16 Ca -0.04 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.85 1sm7 n ARG 16 Cb 0.62 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.89 1sm7 n ARG 16 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1sm7 n ALA 17 N -3.00 -0.22 -0.09 7.54 0.00 -1.26 0.17 120.51 123.65 1sm7 n ALA 17 Ca 0.00 0.29 -0.09 0.00 0.00 0.00 0.00 53.44 53.64 1sm7 n ALA 17 Cb 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.44 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 -5.42 1.01 0.00 0.00 1.13 0.13 -4.06 117.38 110.17 1sm7 n GLN 19 Ca -0.01 -0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 1sm7 n GLN 19 Cb 0.35 -1.01 0.00 0.00 0.11 0.00 0.00 30.24 29.68 1sm7 n GLN 19 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1sm7 n GLN 20 N 0.52 0.00 0.13 -1.09 6.02 0.72 -4.77 117.38 118.92 1sm7 n GLN 20 Ca 0.01 0.00 0.19 0.00 -0.01 0.00 0.00 57.00 57.19 1sm7 n GLN 20 Cb 0.51 -0.06 0.76 0.00 1.02 0.00 0.00 30.24 32.47 1sm7 n GLN 20 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.06 176.16 1sm7 h TRP 21 N 0.00 0.00 -0.17 1.08 5.08 -0.48 0.43 115.95 121.89 1sm7 h TRP 21 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 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 0.04 0.82 -1.28 0.00 0.00 178.44 178.02 1sm7 h ILE 22 N 0.00 1.09 0.00 0.12 2.04 -1.79 -0.61 117.51 118.36 1sm7 h ILE 22 Ca 0.16 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1sm7 h ILE 22 Cb 1.00 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1sm7 h ILE 22 CO -0.00 0.11 -0.78 0.54 0.00 0.00 0.00 178.15 178.02 1sm7 n ARG 23 N -4.44 0.22 0.25 2.37 3.00 0.09 -3.95 116.66 114.19 1sm7 n ARG 23 Ca -0.00 0.03 0.17 0.00 -0.01 0.00 0.00 57.85 58.03 1sm7 n ARG 23 Cb 0.14 -1.60 0.87 0.00 0.00 0.00 0.00 32.46 31.87 1sm7 n ARG 23 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1sm7 h GLN 24 N 0.00 0.00 0.00 5.56 4.20 -0.49 -1.58 115.11 122.80 1sm7 h GLN 24 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1sm7 h GLN 24 Cb 0.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1sm7 h GLN 24 CO 0.00 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.20 1sm7 n GLN 25 N -2.69 0.04 -1.08 1.46 1.13 -1.19 -4.82 117.38 110.24 1sm7 n GLN 25 Ca -0.02 0.12 -0.11 0.00 -1.94 0.00 0.00 57.00 55.05 1sm7 n GLN 25 Cb 0.08 -1.50 0.07 0.00 0.11 0.00 0.00 30.24 29.01 1sm7 n GLN 25 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1sm7 n LEU 26 N -1.47 0.00 -0.06 1.08 7.99 -0.60 -5.05 117.00 118.89 1sm7 n LEU 26 Ca 0.06 -0.74 -0.07 0.00 -0.01 0.00 0.00 56.01 55.24 1sm7 n LEU 26 Cb 0.24 -0.37 -0.07 0.00 -0.11 0.00 0.00 43.42 43.12 1sm7 n LEU 26 CO 0.20 -0.82 -0.88 0.00 -1.51 0.00 0.00 177.39 174.38 1sm7 n ALA 27 N -3.20 1.74 -0.33 -1.18 0.00 -1.26 -4.61 120.51 111.66 1sm7 n ALA 27 Ca -0.08 -0.58 0.09 0.00 0.00 0.00 0.00 53.44 52.87 1sm7 n ALA 27 Cb 0.25 0.15 0.27 0.00 0.00 0.00 0.00 19.45 20.11 1sm7 n ALA 27 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1sm7 h GLY 28 N 1.33 1.61 -5.21 0.00 0.00 -1.97 -3.41 103.07 95.42 1sm7 h GLY 28 Ca -0.27 -0.34 -0.33 0.00 0.00 0.00 0.00 47.33 46.39 1sm7 h GLY 28 CO -0.02 -0.00 1.39 -1.26 0.00 0.00 0.00 176.54 176.65 1sm7 n SER 29 N -4.77 -0.29 -4.89 0.19 2.88 -1.26 -4.90 113.62 100.59 1sm7 n SER 29 Ca 0.20 -0.07 -0.29 0.00 -1.33 0.00 0.00 58.87 57.38 1sm7 n SER 29 Cb 0.47 -0.57 0.09 0.00 -0.75 0.00 0.00 64.21 63.45 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 6.13 1.94 0.00 -1.46 0.04 -1.26 -5.07 135.00 135.31 1sm7 s PRO 30 Ca 1.00 0.10 0.00 0.00 0.04 0.00 0.00 61.00 62.14 1sm7 s PRO 30 Cb -0.82 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 31.77 1sm7 s PRO 30 CO 0.39 -1.62 0.00 1.97 0.04 0.00 0.00 177.00 177.78 1sm7 n PHE 31 N -3.33 0.00 -0.18 0.56 1.16 -1.26 -5.03 117.46 109.38 1sm7 n PHE 31 Ca 0.08 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.62 1sm7 n PHE 31 Cb 0.61 0.00 0.05 0.00 -1.61 0.00 0.00 39.48 38.53 1sm7 n PHE 31 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 1sm7 h SER 32 N 0.00 0.45 -5.41 5.98 0.87 -1.94 -3.46 113.55 110.04 1sm7 h SER 32 Ca 0.00 0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.42 1sm7 h SER 32 Cb 0.00 -0.07 -0.11 0.00 -0.44 0.00 0.00 62.40 61.78 1sm7 h SER 32 CO 0.00 0.31 -0.30 -1.61 -0.53 0.00 0.00 176.83 174.70 1sm7 s GLU 33 N -6.13 1.50 0.32 2.24 2.02 -1.26 -5.05 118.70 112.33 1sm7 s GLU 33 Ca -0.13 -1.47 0.06 0.00 0.02 0.00 0.00 54.97 53.45 1sm7 s GLU 33 Cb 0.14 0.40 0.88 0.00 0.10 0.00 0.00 34.13 35.64 1sm7 s GLU 33 CO 0.74 -0.59 1.59 -0.91 0.02 0.00 0.00 175.26 176.12 1sm7 h ASN 34 N 2.35 -0.19 0.00 -0.19 2.35 -2.00 -3.40 115.58 114.51 1sm7 h ASN 34 Ca -0.30 0.26 -0.53 0.00 -0.55 0.00 0.00 56.30 55.18 1sm7 h ASN 34 Cb 1.25 0.39 -0.05 0.00 0.05 0.00 0.00 38.32 39.95 1sm7 h ASN 34 CO 0.42 -0.32 1.21 0.00 -1.65 0.00 0.00 177.43 177.08 1sm7 n GLN 35 N -5.37 0.00 0.04 0.81 10.64 -1.26 -4.86 117.38 117.38 1sm7 n GLN 35 Ca 0.26 0.00 -0.05 0.00 -1.83 0.00 0.00 57.00 55.38 1sm7 n GLN 35 Cb 0.86 -1.21 -0.03 0.00 -0.86 0.00 0.00 30.24 29.00 1sm7 n GLN 35 CO 0.00 0.00 0.00 -1.49 -1.83 0.00 0.00 177.06 173.74 1sm7 h TRP 36 N 8.26 -0.49 0.00 2.61 6.55 -1.97 -3.41 115.95 127.50 1sm7 h TRP 36 Ca -0.06 0.01 -0.19 0.00 0.95 0.00 0.00 58.89 59.60 1sm7 h TRP 36 Cb 1.10 0.21 -0.14 0.00 -0.86 0.00 0.00 29.16 29.47 1sm7 h TRP 36 CO 0.83 -0.19 -0.34 0.41 -1.05 0.00 0.00 178.44 178.09 1sm7 n GLY 37 N -1.16 -0.29 0.13 1.49 0.00 -1.26 -4.97 105.19 99.13 1sm7 n GLY 37 Ca -0.03 0.34 -0.18 0.00 0.00 0.00 0.00 46.02 46.15 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 3.42 0.34 0.00 1.61 0.13 -1.80 0.24 132.00 135.94 1sm7 h PRO 38 Ca -0.17 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1sm7 h PRO 38 Cb 1.10 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1sm7 h PRO 38 CO 0.15 1.12 0.00 1.04 -0.23 0.00 0.00 178.00 180.08 1sm7 n GLN 39 N -4.23 0.09 0.00 0.86 1.13 -1.26 -0.89 117.38 113.08 1sm7 n GLN 39 Ca -0.11 0.02 0.05 0.00 -1.94 0.00 0.00 57.00 55.02 1sm7 n GLN 39 Cb 0.69 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 29.57 1sm7 n GLN 39 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1sm7 n GLN 40 N -1.45 1.00 0.00 -1.09 -0.06 -1.23 -4.81 117.38 109.74 1sm7 n GLN 40 Ca 0.08 -0.95 0.00 0.00 -2.00 0.00 0.00 57.00 54.13 1sm7 n GLN 40 Cb 0.31 -1.16 0.00 0.00 -4.06 0.00 0.00 30.24 25.33 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 0.69 -1.22 0.19 1.69 0.00 0.83 -5.02 105.19 102.36 1sm7 n GLY 41 Ca 0.05 0.61 0.07 0.00 0.00 0.00 0.00 46.02 46.75 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 0.00 0.00 -0.98 1.61 0.13 -1.04 -2.88 132.00 128.84 1sm7 h PRO 42 Ca 0.00 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.56 1sm7 h PRO 42 Cb 0.00 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 30.72 1sm7 h PRO 42 CO 0.00 0.34 -0.63 0.43 -0.23 0.00 0.00 178.00 177.92 1sm7 n SER 43 N -3.48 5.15 -0.03 1.44 7.64 -1.26 -4.85 113.62 118.23 1sm7 n SER 43 Ca -0.00 -3.75 -0.08 0.00 1.01 0.00 0.00 58.87 56.05 1sm7 n SER 43 Cb 0.50 -0.43 -0.02 0.00 -1.01 0.00 0.00 64.21 63.25 1sm7 n SER 43 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1sm7 h LEU 44 N 2.28 -0.57 -2.26 -3.43 6.46 -1.87 0.79 115.31 116.70 1sm7 h LEU 44 Ca 0.38 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 58.25 1sm7 h LEU 44 Cb 1.30 0.28 0.00 0.00 -0.73 0.00 0.00 40.66 41.51 1sm7 h LEU 44 CO 0.86 -0.22 0.08 0.03 -0.62 0.00 0.00 178.44 178.57 1sm7 h ARG 45 N -0.19 0.00 0.06 1.25 -0.00 -1.88 0.84 114.38 114.45 1sm7 h ARG 45 Ca 0.12 0.00 -0.31 0.00 -0.50 0.00 0.00 59.98 59.29 1sm7 h ARG 45 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.31 1sm7 h ARG 45 CO -0.31 0.00 -1.74 0.93 0.00 0.00 0.00 179.97 178.85 1sm7 h GLU 46 N 0.00 0.13 0.00 0.04 4.39 -1.21 -3.21 114.58 114.72 1sm7 h GLU 46 Ca 0.00 -0.22 -0.10 0.00 0.34 0.00 0.00 59.36 59.38 1sm7 h GLU 46 Cb 0.16 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1sm7 h GLU 46 CO 0.00 0.85 -0.69 1.96 -1.16 0.00 0.00 179.01 179.96 1sm7 h GLN 47 N 0.03 0.00 -0.92 2.33 4.20 0.16 -3.27 115.11 117.64 1sm7 h GLN 47 Ca -0.31 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.56 1sm7 h GLN 47 Cb 2.01 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 29.72 1sm7 h GLN 47 CO 0.10 0.63 0.59 0.00 -0.67 0.00 0.00 178.83 179.48 1sm7 n ASN 50 N -1.30 2.16 0.22 0.00 3.02 0.69 -4.34 115.26 115.71 1sm7 n ASN 50 Ca 0.02 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.74 1sm7 n ASN 50 Cb 0.03 -0.02 0.85 0.00 -0.61 0.00 0.00 39.78 40.03 1sm7 n ASN 50 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1sm7 h GLU 51 N -0.02 0.00 0.00 3.52 4.11 0.67 0.63 114.58 123.50 1sm7 h GLU 51 Ca -0.02 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.11 1sm7 h GLU 51 Cb 1.03 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.23 1sm7 h GLU 51 CO -0.01 0.00 -1.75 1.47 0.07 0.00 0.00 179.01 178.79 1sm7 n LEU 52 N -3.78 0.82 0.12 3.06 -0.00 -0.68 -4.39 117.00 112.15 1sm7 n LEU 52 Ca 0.01 0.39 0.06 0.00 -0.00 0.00 0.00 56.01 56.47 1sm7 n LEU 52 Cb 0.28 0.19 0.02 0.00 -0.00 0.00 0.00 43.42 43.92 1sm7 n LEU 52 CO 0.27 0.40 0.25 0.22 -0.00 0.00 0.00 177.39 178.53 1sm7 h TYR 53 N 0.00 0.00 -0.21 1.47 5.03 -1.14 -3.21 116.97 118.91 1sm7 h TYR 53 Ca -0.30 0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.04 1sm7 h TYR 53 Cb 2.03 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 40.30 1sm7 h TYR 53 CO 0.00 0.30 0.14 -0.56 -1.32 0.00 0.00 178.16 176.72 1sm7 h GLN 54 N 0.00 0.13 0.00 1.82 3.07 -0.05 -0.09 115.11 119.98 1sm7 h GLN 54 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.69 1sm7 h GLN 54 Cb 1.26 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.79 1sm7 h GLN 54 CO 0.03 0.08 0.00 0.39 0.09 0.00 0.00 178.83 179.43 1sm7 n GLU 55 N -4.50 0.97 0.00 0.06 -0.58 -1.21 -5.01 120.64 110.37 1sm7 n GLU 55 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1sm7 n GLU 55 Cb 0.19 -1.25 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 1sm7 n GLU 55 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1sm7 n ASP 56 N -0.75 -0.87 0.07 1.62 2.03 -0.05 -3.66 116.55 114.94 1sm7 n ASP 56 Ca 0.12 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.45 1sm7 n ASP 56 Cb 0.05 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.41 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 -1.83 -2.78 115.11 117.32 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 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 1sm7 h GLN 57 CO 0.00 0.30 0.00 0.28 -1.50 0.00 0.00 178.83 177.91 1sm7 n VAL 58 N -2.95 0.86 0.14 -0.54 0.31 -1.26 -2.09 118.33 112.80 1sm7 n VAL 58 Ca -0.06 0.21 0.05 0.00 -0.01 0.00 0.00 64.34 64.53 1sm7 n VAL 58 Cb 0.78 -0.93 -0.06 0.00 -0.91 0.00 0.00 33.84 32.72 1sm7 n VAL 58 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sm7 h VAL 60 N 0.00 0.19 0.00 0.00 2.07 -1.13 -2.65 116.25 114.74 1sm7 h VAL 60 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1sm7 h VAL 60 Cb 0.35 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1sm7 h VAL 60 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1sm7 n PRO 62 N -0.12 0.39 -0.31 0.00 -0.04 -1.26 -4.45 135.00 129.20 1sm7 n PRO 62 Ca 0.00 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.62 1sm7 n PRO 62 Cb 0.00 -1.27 0.34 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.40 -0.93 0.52 2.02 -1.83 0.71 112.91 113.79 1sm7 h THR 63 Ca 0.00 -0.12 0.08 0.00 0.77 0.00 0.00 66.41 67.14 1sm7 h THR 63 Cb 0.00 0.02 -0.07 0.00 -1.74 0.00 0.00 68.15 66.37 1sm7 h THR 63 CO 0.00 0.06 0.60 0.25 0.37 0.00 0.00 175.52 176.81 1sm7 h LEU 64 N 0.34 0.91 -1.70 2.58 6.46 -1.61 -0.38 115.31 121.92 1sm7 h LEU 64 Ca 0.60 0.02 0.23 0.00 -0.12 0.00 0.00 57.88 58.61 1sm7 h LEU 64 Cb 1.22 -0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 40.92 1sm7 h LEU 64 CO -0.58 0.56 0.61 0.11 -0.62 0.00 0.00 178.44 178.53 1sm7 h LYS 65 N 1.02 0.23 0.02 1.25 1.79 -1.16 0.15 116.57 119.87 1sm7 h LYS 65 Ca 0.42 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.87 1sm7 h LYS 65 Cb 0.28 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1sm7 h LYS 65 CO -0.17 0.15 -0.01 0.37 -1.08 0.00 0.00 179.45 178.71 1sm7 h GLN 66 N 0.24 -0.02 0.00 3.15 4.15 -1.01 0.40 115.11 122.02 1sm7 h GLN 66 Ca 0.46 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.88 1sm7 h GLN 66 Cb 1.40 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.09 1sm7 h GLN 66 CO -0.12 0.14 0.00 0.00 -1.93 0.00 0.00 178.83 176.93 1sm7 n ALA 67 N -2.19 1.50 0.01 3.38 0.00 -0.14 -2.31 120.51 120.77 1sm7 n ALA 67 Ca -0.08 -0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.44 1sm7 n ALA 67 Cb 0.11 -1.19 -0.16 0.00 0.00 0.00 0.00 19.45 18.22 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 -1.51 2.78 0.11 0.00 0.00 -0.18 -3.58 120.51 118.13 1sm7 n ALA 68 Ca 0.03 -0.48 -0.03 0.00 0.00 0.00 0.00 53.44 52.95 1sm7 n ALA 68 Cb 0.13 -0.69 0.12 0.00 0.00 0.00 0.00 19.45 19.01 1sm7 n ALA 68 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1sm7 h LYS 69 N 0.00 0.08 0.00 0.00 1.79 0.20 -3.08 116.57 115.56 1sm7 h LYS 69 Ca 0.00 -0.06 -0.13 0.00 -2.18 0.00 0.00 60.65 58.27 1sm7 h LYS 69 Cb 0.91 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.55 1sm7 h LYS 69 CO 0.00 0.72 -0.99 1.03 -1.08 0.00 0.00 179.45 179.12 1sm7 h SER 70 N 0.06 0.00 -0.44 0.86 0.87 -1.73 -3.33 113.55 109.83 1sm7 h SER 70 Ca -0.01 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 60.68 1sm7 h SER 70 Cb 1.18 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.13 1sm7 h SER 70 CO 0.09 0.52 0.44 0.58 -0.53 0.00 0.00 176.83 177.93 1sm7 h VAL 71 N 0.00 0.42 -3.45 2.23 2.07 -1.59 -3.21 116.25 112.72 1sm7 h VAL 71 Ca -0.08 0.00 -0.72 0.00 0.82 0.00 0.00 66.70 66.71 1sm7 h VAL 71 Cb 1.47 0.65 -0.31 0.00 -1.52 0.00 0.00 31.29 31.58 1sm7 h VAL 71 CO 0.05 0.00 -0.35 0.00 0.02 0.00 0.00 177.57 177.29 1sm7 s ARG 72 N -4.67 2.56 0.61 1.57 1.70 -1.24 -4.92 118.95 114.56 1sm7 s ARG 72 Ca -0.04 -2.05 -0.18 0.00 -0.47 0.00 0.00 55.73 52.99 1sm7 s ARG 72 Cb 0.16 -3.89 -0.12 0.00 -0.57 0.00 0.00 34.95 30.54 1sm7 s ARG 72 CO 0.58 -1.18 0.00 0.28 -1.08 0.00 0.00 175.30 173.90 1sm7 n VAL 73 N 4.39 0.68 -1.13 4.99 0.31 -1.22 -4.84 118.33 121.51 1sm7 n VAL 73 Ca -0.00 -0.48 -0.37 0.00 -0.01 0.00 0.00 64.34 63.47 1sm7 n VAL 73 Cb 0.41 -0.24 0.02 0.00 -0.91 0.00 0.00 33.84 33.12 1sm7 n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sm7 n GLN 74 N 1.01 0.00 -0.57 5.55 6.02 -1.26 -4.65 117.38 123.48 1sm7 n GLN 74 Ca 0.08 0.00 0.47 0.00 -0.01 0.00 0.00 57.00 57.53 1sm7 n GLN 74 Cb 0.49 -0.99 0.76 0.00 1.02 0.00 0.00 30.24 31.52 1sm7 n GLN 74 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1sm7 h GLY 75 N -0.41 0.00 -5.53 1.08 0.00 -1.97 -2.48 103.07 93.76 1sm7 h GLY 75 Ca -0.42 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 1sm7 h GLY 75 CO 0.34 0.00 0.97 -1.06 0.00 0.00 0.00 176.54 176.79 1sm7 n GLN 76 N -3.85 0.32 -0.34 4.80 6.02 -1.26 -3.44 117.38 119.62 1sm7 n GLN 76 Ca 0.38 -0.47 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 1sm7 n GLN 76 Cb 1.83 -1.89 0.00 0.00 1.02 0.00 0.00 30.24 31.20 1sm7 n GLN 76 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 1sm7 n HIS 77 N 4.16 0.00 -1.24 1.08 -0.00 -0.94 -5.05 115.22 113.23 1sm7 n HIS 77 Ca 0.07 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.35 1sm7 n HIS 77 Cb 0.05 0.09 -0.05 0.00 -0.12 0.00 0.00 29.99 29.95 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 0.00 -3.47 3.61 1.57 0.00 -1.22 -4.73 105.19 100.94 1sm7 n GLY 78 Ca 0.00 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 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 -4.46 3.75 0.00 1.61 0.04 -1.26 -4.23 135.00 130.46 1sm7 s PRO 79 Ca 0.00 0.85 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1sm7 s PRO 79 Cb 0.00 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.62 1sm7 s PRO 79 CO 0.00 -1.34 0.00 0.34 0.04 0.00 0.00 177.00 176.04 1sm7 n PHE 80 N 7.98 -0.04 0.00 0.56 7.35 -1.26 -5.00 117.46 127.05 1sm7 n PHE 80 Ca 0.14 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.83 1sm7 n PHE 80 Cb 0.48 0.01 0.00 0.00 0.35 0.00 0.00 39.48 40.32 1sm7 n PHE 80 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 1sm7 n GLN 81 N -1.65 0.00 -0.38 -4.13 3.00 -1.26 -0.40 117.38 112.56 1sm7 n GLN 81 Ca 0.00 0.00 0.31 0.00 -0.01 0.00 0.00 57.00 57.30 1sm7 n GLN 81 Cb 0.00 -0.79 0.60 0.00 0.00 0.00 0.00 30.24 30.05 1sm7 n GLN 81 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.06 177.83 1sm7 h SER 82 N 0.00 0.30 -0.07 1.08 0.02 -1.91 0.76 113.55 113.74 1sm7 h SER 82 Ca 0.00 0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1sm7 h SER 82 Cb 0.00 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 1sm7 h SER 82 CO 0.00 -0.03 -0.21 0.74 -1.14 0.00 0.00 176.83 176.19 1sm7 h THR 83 N 0.22 0.00 0.15 -2.27 2.02 -1.93 -2.29 112.91 108.80 1sm7 h THR 83 Ca 0.69 0.00 -0.27 0.00 0.77 0.00 0.00 66.41 67.59 1sm7 h THR 83 Cb 2.07 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 68.49 1sm7 h THR 83 CO -0.30 0.00 -1.33 -0.09 0.37 0.00 0.00 175.52 174.17 1sm7 h ARG 84 N -0.22 0.31 -0.96 6.66 9.65 0.11 -2.44 114.38 127.49 1sm7 h ARG 84 Ca 0.01 -0.52 0.14 0.00 -1.10 0.00 0.00 59.98 58.51 1sm7 h ARG 84 Cb 0.26 0.20 -0.15 0.00 -1.39 0.00 0.00 29.97 28.89 1sm7 h ARG 84 CO -0.18 1.25 -0.41 -0.89 2.80 0.00 0.00 179.97 182.54 1sm7 n ILE 85 N -3.90 -0.53 -0.03 1.20 2.08 0.25 0.45 119.36 118.87 1sm7 n ILE 85 Ca -0.22 2.25 -0.14 0.00 0.56 0.00 0.00 62.75 65.21 1sm7 n ILE 85 Cb 0.93 -2.94 -0.11 0.00 -0.75 0.00 0.00 39.64 36.77 1sm7 n ILE 85 CO 0.00 0.00 0.00 1.88 0.56 0.00 0.00 176.55 178.99 1sm7 h TYR 86 N 0.00 0.14 0.00 1.39 -1.99 -1.53 0.45 116.97 115.43 1sm7 h TYR 86 Ca 0.30 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.97 1sm7 h TYR 86 Cb 0.54 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.25 1sm7 h TYR 86 CO -0.86 0.75 0.39 1.96 -0.00 0.00 0.00 178.16 180.40 1sm7 h GLN 87 N -0.51 0.00 0.00 4.88 4.20 -0.44 0.36 115.11 123.60 1sm7 h GLN 87 Ca -0.01 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.55 1sm7 h GLN 87 Cb 0.77 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.52 1sm7 h GLN 87 CO 0.02 0.00 -1.56 -0.89 -0.67 0.00 0.00 178.83 175.73 1sm7 n ILE 88 N -2.33 0.57 1.79 2.54 5.41 0.17 -4.48 119.36 123.03 1sm7 n ILE 88 Ca -0.01 -0.26 0.08 0.00 1.00 0.00 0.00 62.75 63.55 1sm7 n ILE 88 Cb 0.42 -0.83 0.45 0.00 -0.71 0.00 0.00 39.64 38.96 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 -2.61 2.48 -0.03 -1.39 0.00 0.16 -2.95 120.51 116.17 1sm7 n ALA 89 Ca -0.16 -0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.14 1sm7 n ALA 89 Cb 0.71 -1.24 -0.13 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.76 0.65 -0.12 0.00 -0.00 0.12 -3.78 118.16 114.27 1sm7 n LYS 90 Ca 0.11 0.13 0.05 0.00 -0.00 0.00 0.00 58.31 58.60 1sm7 n LYS 90 Cb 0.05 -1.68 0.16 0.00 -0.00 0.00 0.00 35.03 33.56 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 -2.83 1.36 0.37 -5.58 3.02 -1.15 -4.35 115.26 106.10 1sm7 n ASN 91 Ca -0.19 -1.95 -0.17 0.00 -0.03 0.00 0.00 54.58 52.24 1sm7 n ASN 91 Cb 0.99 -0.16 -0.09 0.00 -0.61 0.00 0.00 39.78 39.91 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 1.53 -0.79 0.00 3.41 3.38 -1.66 -0.22 115.31 120.96 1sm7 h LEU 92 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sm7 h LEU 92 Cb 0.35 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1sm7 h LEU 92 CO 0.00 -0.50 0.00 -0.81 0.09 0.00 0.00 178.44 177.22 1sm7 n PRO 93 N -5.46 0.64 -0.06 1.13 -0.04 -1.26 0.05 135.00 130.01 1sm7 n PRO 93 Ca -0.13 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.11 1sm7 n PRO 93 Cb 0.39 -1.47 -0.13 0.00 -0.04 0.00 0.00 33.50 32.25 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 -0.97 2.00 -0.00 3.54 3.02 -1.00 -3.30 115.26 118.55 1sm7 n ASN 94 Ca 0.15 0.28 0.10 0.00 -0.03 0.00 0.00 54.58 55.07 1sm7 n ASN 94 Cb 0.07 -0.87 -0.12 0.00 -0.61 0.00 0.00 39.78 38.25 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 -3.90 0.00 -2.45 2.41 0.31 -0.13 -4.25 118.33 110.32 1sm7 n VAL 95 Ca -0.35 -0.12 -0.13 0.00 -0.01 0.00 0.00 64.34 63.73 1sm7 n VAL 95 Cb 0.89 0.80 0.03 0.00 -0.91 0.00 0.00 33.84 34.65 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 0.28 -0.18 0.00 3.02 -1.21 -4.45 115.26 112.15 1sm7 n ASN 97 Ca 0.25 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 55.04 1sm7 n ASN 97 Cb 0.86 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 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 4.00 0.00 -3.32 3.52 0.00 -1.26 -4.98 117.12 115.08 1sm7 n MET 98 Ca 0.30 -0.53 -0.11 0.00 0.00 0.00 0.00 57.70 57.36 1sm7 n MET 98 Cb -0.01 -0.39 -0.06 0.00 0.00 0.00 0.00 33.22 32.76 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 0.00 0.47 -0.14 3.17 2.20 -1.26 -4.69 119.74 119.49 1sm7 s LYS 99 Ca 0.00 -0.13 0.06 0.00 -0.36 0.00 0.00 55.97 55.54 1sm7 s LYS 99 Cb 0.00 -0.40 0.40 0.00 -1.51 0.00 0.00 37.83 36.32 1sm7 s LYS 99 CO 0.00 -1.08 1.21 0.94 -0.36 0.00 0.00 175.35 176.06 1sm7 n GLN 100 N 5.07 2.70 0.01 4.03 0.00 -1.26 -4.36 117.38 123.58 1sm7 n GLN 100 Ca 0.03 -1.59 -0.02 0.00 -0.00 0.00 0.00 57.00 55.42 1sm7 n GLN 100 Cb 0.49 -1.83 -0.01 0.00 0.00 0.00 0.00 30.24 28.89 1sm7 n GLN 100 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.06 178.57 1sm7 n ILE 101 N 0.18 0.97 0.00 1.69 3.06 -1.26 -5.08 119.36 118.92 1sm7 n ILE 101 Ca 0.18 0.29 0.00 0.00 -2.50 0.00 0.00 62.75 60.71 1sm7 n ILE 101 Cb 0.81 -1.62 0.00 0.00 0.54 0.00 0.00 39.64 39.38 1sm7 n ILE 101 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1sm7 n GLY 102 N 2.98 0.84 0.08 4.50 0.00 -1.26 -5.07 105.19 107.26 1sm7 n GLY 102 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 1.23 -2.25 2.61 1.03 -1.92 -3.37 112.91 110.25 1sm7 h THR 103 Ca 0.00 -1.07 -0.61 0.00 -0.01 0.00 0.00 66.41 64.72 1sm7 h THR 103 Cb 0.00 1.92 -0.41 0.00 -1.07 0.00 0.00 68.15 68.59 1sm7 h THR 103 CO 0.00 0.26 -0.50 0.00 -0.01 0.00 0.00 175.52 175.27 1sm7 n PRO 105 N 0.60 1.60 -3.02 0.00 -0.04 -1.26 -4.89 135.00 128.00 1sm7 n PRO 105 Ca 0.30 -0.80 -0.30 0.00 -0.04 0.00 0.00 63.50 62.67 1sm7 n PRO 105 Cb 0.40 -1.89 -0.04 0.00 -0.04 0.00 0.00 33.50 31.93 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 1.37 3.46 0.00 0.54 -0.71 -1.26 -4.83 117.98 116.54 1sm7 s PHE 106 Ca 0.53 0.97 0.00 0.00 -1.04 0.00 0.00 56.93 57.39 1sm7 s PHE 106 Cb 0.25 -2.37 0.00 0.00 -1.21 0.00 0.00 43.02 39.70 1sm7 s PHE 106 CO 0.00 -0.00 0.00 0.44 -1.34 0.00 0.00 175.22 174.32 1sm7 n ILE 107 N -1.05 0.00 -0.87 -4.49 -5.35 -1.26 -4.94 119.36 101.39 1sm7 n ILE 107 Ca 0.02 0.00 -0.17 0.00 -0.27 0.00 0.00 62.75 62.32 1sm7 n ILE 107 Cb 0.54 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 38.35 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 5.57 0.43 -1.28 0.00 -1.26 -5.07 120.51 118.90 1sm7 n ALA 108 Ca 0.00 -1.93 0.03 0.00 0.00 0.00 0.00 53.44 51.54 1sm7 n ALA 108 Cb 0.00 -2.63 0.20 0.00 0.00 0.00 0.00 19.45 17.02 1sm7 n ALA 108 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61