#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s7a n ALA 2 N 0.00 0.70 0.06 -5.12 0.00 -1.26 -4.83 120.51 110.06 1s7a n ALA 2 Ca 0.00 0.20 -0.15 0.00 0.00 0.00 0.00 53.44 53.49 1s7a n ALA 2 Cb 0.00 -2.46 -0.14 0.00 0.00 0.00 0.00 19.45 16.85 1s7a n ALA 2 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1s7a h GLU 3 N 9.83 0.19 -5.90 0.00 5.08 -2.06 -3.46 114.58 118.26 1s7a h GLU 3 Ca -0.42 -0.33 -0.62 0.00 -1.00 0.00 0.00 59.36 56.99 1s7a h GLU 3 Cb 1.29 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.62 1s7a h GLU 3 CO 0.97 1.04 -0.50 -0.80 -1.00 0.00 0.00 179.01 178.72 1s7a s ASN 4 N -6.87 6.34 0.00 1.42 0.01 -1.26 -5.04 114.94 109.54 1s7a s ASN 4 Ca -0.07 0.27 0.00 0.00 -0.71 0.00 0.00 52.86 52.35 1s7a s ASN 4 Cb 0.07 -1.95 0.00 0.00 0.41 0.00 0.00 41.25 39.78 1s7a s ASN 4 CO 0.85 0.18 0.79 0.61 -1.51 0.00 0.00 177.10 178.02 1s7a n GLY 5 N 0.38 -2.87 3.26 0.66 0.00 -1.26 -4.90 105.19 100.46 1s7a n GLY 5 Ca -0.06 0.20 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 1s7a n GLY 5 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1s7a s ASP 6 N -2.30 0.11 -0.46 1.61 -4.77 -1.26 -5.00 116.67 104.60 1s7a s ASP 6 Ca 0.00 -0.82 -0.08 0.00 -3.30 0.00 0.00 52.55 48.35 1s7a s ASP 6 Cb 0.00 0.38 0.01 0.00 -1.09 0.00 0.00 42.92 42.22 1s7a s ASP 6 CO 0.00 -0.81 0.52 -3.20 0.70 0.00 0.00 175.17 172.39 1s7a n ASN 7 N -0.14 -6.81 0.05 2.11 5.15 -1.26 -4.91 115.26 109.45 1s7a n ASN 7 Ca -0.10 0.23 -0.05 0.00 -0.60 0.00 0.00 54.58 54.06 1s7a n ASN 7 Cb 0.63 -4.56 0.16 0.00 -0.53 0.00 0.00 39.78 35.47 1s7a n ASN 7 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1s7a h GLU 8 N 1.10 0.36 -0.93 1.20 4.81 -1.94 -3.05 114.58 116.14 1s7a h GLU 8 Ca 0.00 -0.19 0.12 0.00 -0.13 0.00 0.00 59.36 59.16 1s7a h GLU 8 Cb 0.89 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.19 1s7a h GLU 8 CO 0.20 0.74 0.55 0.87 -0.73 0.00 0.00 179.01 180.64 1s7a h LYS 9 N 0.30 0.83 -0.70 1.92 1.57 -2.01 -0.15 116.57 118.34 1s7a h LYS 9 Ca 0.02 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1s7a h LYS 9 Cb 0.90 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.99 1s7a h LYS 9 CO 0.08 0.55 0.46 1.98 -0.57 0.00 0.00 179.45 181.95 1s7a h MET 10 N 0.86 0.83 0.09 3.15 4.05 -1.89 0.14 114.93 122.17 1s7a h MET 10 Ca 0.47 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.84 1s7a h MET 10 Cb 0.51 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.11 1s7a h MET 10 CO -0.28 0.55 -0.10 0.00 0.23 0.00 0.00 176.91 177.31 1s7a h ALA 11 N 1.59 -0.18 -0.09 0.39 0.00 -1.11 0.17 119.26 120.02 1s7a h ALA 11 Ca 0.28 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 1s7a h ALA 11 Cb 0.04 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1s7a h ALA 11 CO -0.08 -0.62 -0.55 0.00 0.00 0.00 0.00 179.25 178.01 1s7a h ALA 12 N 0.69 0.90 -0.62 0.00 0.00 -1.35 -2.98 119.26 115.90 1s7a h ALA 12 Ca 0.01 -0.51 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 1s7a h ALA 12 Cb 0.21 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1s7a h ALA 12 CO -0.03 0.69 0.06 1.25 0.00 0.00 0.00 179.25 181.22 1s7a h LEU 13 N 0.21 1.01 -0.30 0.00 7.12 -0.28 -0.43 115.31 122.64 1s7a h LEU 13 Ca 0.00 -0.28 -0.02 0.00 0.13 0.00 0.00 57.88 57.71 1s7a h LEU 13 Cb 1.03 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 40.87 1s7a h LEU 13 CO 0.09 1.04 0.11 -0.08 -0.13 0.00 0.00 178.44 179.47 1s7a h GLU 14 N 0.95 0.45 -0.09 1.25 4.81 -0.60 -2.59 114.58 118.76 1s7a h GLU 14 Ca 0.18 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.22 1s7a h GLU 14 Cb 0.49 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1s7a h GLU 14 CO 0.02 0.48 -0.41 0.00 -0.73 0.00 0.00 179.01 178.37 1s7a h ALA 15 N 0.96 1.14 -0.89 2.92 0.00 -1.42 -2.91 119.26 119.05 1s7a h ALA 15 Ca 0.10 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1s7a h ALA 15 Cb 0.20 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1s7a h ALA 15 CO -0.01 0.58 0.49 -0.22 0.00 0.00 0.00 179.25 180.09 1s7a h LYS 16 N 0.17 1.25 -0.26 0.00 3.64 -0.77 0.13 116.57 120.72 1s7a h LYS 16 Ca 0.02 -0.15 -0.06 0.00 -1.27 0.00 0.00 60.65 59.19 1s7a h LYS 16 Cb 0.80 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1s7a h LYS 16 CO 0.06 0.91 -0.08 0.82 -2.27 0.00 0.00 179.45 178.89 1s7a h ILE 17 N 1.25 1.29 -0.58 2.00 2.04 -1.29 -2.74 117.51 119.49 1s7a h ILE 17 Ca 0.31 -1.11 -0.09 0.00 1.00 0.00 0.00 64.86 64.97 1s7a h ILE 17 Cb 0.03 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1s7a h ILE 17 CO -0.05 0.35 -0.00 0.00 0.00 0.00 0.00 178.15 178.45 1s7a h HIS 19 N 0.91 0.79 -0.09 0.00 3.86 -0.69 -1.08 115.15 118.85 1s7a h HIS 19 Ca 0.16 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 1s7a h HIS 19 Cb 0.55 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.76 1s7a h HIS 19 CO 0.04 0.42 0.04 1.96 0.86 0.00 0.00 177.93 181.25 1s7a h GLN 20 N 0.78 0.14 -0.64 2.45 1.08 -1.21 -1.39 115.11 116.32 1s7a h GLN 20 Ca 0.31 -0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.53 1s7a h GLN 20 Cb 0.21 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.58 1s7a h GLN 20 CO -0.10 0.25 0.42 0.82 -0.95 0.00 0.00 178.83 179.27 1s7a h ILE 21 N -0.01 1.05 -0.42 2.54 1.08 -1.33 0.67 117.51 121.09 1s7a h ILE 21 Ca 0.03 -0.24 -0.02 0.00 -0.39 0.00 0.00 64.86 64.24 1s7a h ILE 21 Cb 0.17 0.29 -0.02 0.00 -3.07 0.00 0.00 36.82 34.18 1s7a h ILE 21 CO -0.00 0.13 0.16 -0.08 -0.69 0.00 0.00 178.15 177.67 1s7a h GLU 22 N 0.70 0.59 -0.49 2.37 4.22 -0.43 -1.19 114.58 120.35 1s7a h GLU 22 Ca 0.26 -0.08 -0.00 0.00 0.08 0.00 0.00 59.36 59.62 1s7a h GLU 22 Cb 0.17 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1s7a h GLU 22 CO -0.08 0.50 0.30 -0.92 -2.18 0.00 0.00 179.01 176.63 1s7a h TYR 23 N 0.59 0.64 0.12 0.92 3.20 0.19 6.03 116.97 128.67 1s7a h TYR 23 Ca 0.14 0.00 -0.29 0.00 3.14 0.00 0.00 58.73 61.72 1s7a h TYR 23 Cb 0.13 -0.21 0.03 0.00 1.54 0.00 0.00 36.73 38.22 1s7a h TYR 23 CO 0.01 0.44 -1.22 1.88 -1.64 0.00 0.00 178.16 177.63 1s7a h TYR 24 N 0.66 0.99 0.00 -3.82 0.05 -1.44 -3.17 116.97 110.25 1s7a h TYR 24 Ca 0.18 -0.63 -0.05 0.00 0.05 0.00 0.00 58.73 58.27 1s7a h TYR 24 Cb -0.02 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.63 1s7a h TYR 24 CO -0.03 1.47 -1.86 1.19 -1.05 0.00 0.00 178.16 177.88 1s7a n PHE 25 N -3.82 0.21 0.00 4.88 3.72 -0.48 -2.56 117.46 119.42 1s7a n PHE 25 Ca -0.14 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1s7a n PHE 25 Cb 0.98 -0.67 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 1s7a n PHE 25 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1s7a n GLY 26 N 1.32 0.46 4.95 1.37 0.00 1.95 -4.40 105.19 110.84 1s7a n GLY 26 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1s7a n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s7a n ASP 27 N 1.97 0.00 -0.06 1.61 8.00 -1.26 -4.65 116.55 122.17 1s7a n ASP 27 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.35 1s7a n ASP 27 Cb 0.00 -0.94 -0.13 0.00 -0.02 0.00 0.00 41.12 40.03 1s7a n ASP 27 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1s7a h PHE 28 N 0.00 0.06 0.05 1.24 3.57 -1.79 -3.34 116.94 116.73 1s7a h PHE 28 Ca 0.00 -0.04 -0.23 0.00 3.53 0.00 0.00 57.97 61.23 1s7a h PHE 28 Cb 0.00 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1s7a h PHE 28 CO 0.00 1.04 -1.05 -0.91 -2.23 0.00 0.00 178.31 175.16 1s7a h ASN 29 N -0.94 0.33 -0.80 0.41 -0.26 -1.56 -3.32 115.58 109.44 1s7a h ASN 29 Ca -0.02 -0.31 0.06 0.00 -0.56 0.00 0.00 56.30 55.47 1s7a h ASN 29 Cb 1.07 -0.10 -0.05 0.00 -1.06 0.00 0.00 38.32 38.18 1s7a h ASN 29 CO 0.01 1.18 0.52 -0.07 -1.06 0.00 0.00 177.43 178.02 1s7a h LEU 30 N 0.10 0.78 -2.83 1.61 3.38 -1.66 4.13 115.31 120.82 1s7a h LEU 30 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1s7a h LEU 30 Cb 1.74 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.32 1s7a h LEU 30 CO 0.17 0.51 0.05 -0.65 0.09 0.00 0.00 178.44 178.61 1s7a h PRO 31 N 0.89 0.00 0.00 1.13 0.11 -1.68 -3.18 132.00 129.27 1s7a h PRO 31 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1s7a h PRO 31 Cb 0.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.30 1s7a h PRO 31 CO -0.12 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.21 1s7a n ARG 32 N -3.08 0.00 -1.56 1.05 1.74 -0.44 -5.05 116.66 109.33 1s7a n ARG 32 Ca -0.03 -0.16 -0.32 0.00 -0.77 0.00 0.00 57.85 56.57 1s7a n ARG 32 Cb 0.12 -0.34 -0.04 0.00 -1.02 0.00 0.00 32.46 31.18 1s7a n ARG 32 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1s7a s ASP 33 N 0.00 4.32 -0.00 0.55 1.11 1.35 -4.77 116.67 119.22 1s7a s ASP 33 Ca 0.00 0.91 -0.21 0.00 0.18 0.00 0.00 52.55 53.43 1s7a s ASP 33 Cb 0.00 -2.51 -0.21 0.00 1.07 0.00 0.00 42.92 41.27 1s7a s ASP 33 CO 0.00 -3.07 1.13 0.11 1.18 0.00 0.00 175.17 174.52 1s7a h LYS 34 N 18.47 0.34 -0.26 8.23 1.79 -1.92 -2.10 116.57 141.11 1s7a h LYS 34 Ca -0.20 -0.32 -0.13 0.00 -2.18 0.00 0.00 60.65 57.83 1s7a h LYS 34 Cb 1.22 0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.95 1s7a h LYS 34 CO 1.13 0.98 -0.34 0.27 -1.08 0.00 0.00 179.45 180.42 1s7a h PHE 35 N -0.19 0.85 -0.47 -1.35 -5.15 -1.98 -2.87 116.94 105.78 1s7a h PHE 35 Ca -0.04 -0.27 -0.05 0.00 -0.20 0.00 0.00 57.97 57.41 1s7a h PHE 35 Cb 1.10 -0.17 -0.02 0.00 0.22 0.00 0.00 35.95 37.07 1s7a h PHE 35 CO 0.14 1.03 0.09 1.25 -2.00 0.00 0.00 178.31 178.82 1s7a h LEU 36 N 0.42 0.67 -1.88 2.10 7.12 -1.95 -1.32 115.31 120.47 1s7a h LEU 36 Ca 0.03 -0.12 -0.03 0.00 0.13 0.00 0.00 57.88 57.90 1s7a h LEU 36 Cb 0.92 -0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 40.87 1s7a h LEU 36 CO 0.08 0.68 -0.13 0.11 -0.13 0.00 0.00 178.44 179.05 1s7a h LYS 37 N 0.69 0.00 -0.14 1.25 1.79 -1.26 -1.16 116.57 117.73 1s7a h LYS 37 Ca 0.15 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.54 1s7a h LYS 37 Cb 0.30 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1s7a h LYS 37 CO 0.00 0.13 -0.25 0.93 -1.08 0.00 0.00 179.45 179.18 1s7a h GLU 38 N 0.00 0.42 -0.15 3.15 5.08 -1.02 -1.47 114.58 120.58 1s7a h GLU 38 Ca -0.00 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.02 1s7a h GLU 38 Cb 0.34 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1s7a h GLU 38 CO 0.02 0.85 -0.23 0.37 -1.00 0.00 0.00 179.01 179.02 1s7a h GLN 39 N 0.03 0.42 -0.85 2.33 5.75 -1.33 0.15 115.11 121.61 1s7a h GLN 39 Ca 0.01 -0.25 -0.00 0.00 -0.15 0.00 0.00 58.65 58.26 1s7a h GLN 39 Cb 0.83 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.36 1s7a h GLN 39 CO 0.06 0.84 0.52 0.97 -2.65 0.00 0.00 178.83 178.57 1s7a h ILE 40 N 0.03 1.23 0.00 2.39 2.10 -1.29 -2.41 117.51 119.56 1s7a h ILE 40 Ca 0.01 -0.48 -0.20 0.00 1.08 0.00 0.00 64.86 65.27 1s7a h ILE 40 Cb 0.81 0.02 -0.03 0.00 -1.09 0.00 0.00 36.82 36.53 1s7a h ILE 40 CO 0.05 0.24 -0.97 0.50 -1.08 0.00 0.00 178.15 176.89 1s7a h LYS 41 N 1.16 0.00 0.00 2.19 1.63 -1.22 0.29 116.57 120.62 1s7a h LYS 41 Ca 0.31 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.11 1s7a h LYS 41 Cb -0.07 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.56 1s7a h LYS 41 CO -0.06 0.96 0.00 -0.11 -3.45 0.00 0.00 179.45 176.79 1s7a n LEU 42 N -3.34 0.00 0.00 5.20 7.94 0.53 -4.73 117.00 122.61 1s7a n LEU 42 Ca 0.00 0.54 0.00 0.00 -1.11 0.00 0.00 56.01 55.44 1s7a n LEU 42 Cb 0.93 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.83 1s7a n LEU 42 CO 0.46 -0.04 0.00 -0.67 -1.11 0.00 0.00 177.39 176.03 1s7a n ASP 43 N -0.93 0.00 -2.76 1.96 2.03 -1.23 -4.89 116.55 110.72 1s7a n ASP 43 Ca 0.00 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.95 1s7a n ASP 43 Cb 0.00 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.43 1s7a n ASP 43 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1s7a n GLU 44 N 0.00 2.93 -2.52 -0.67 2.13 -1.26 -4.81 120.64 116.44 1s7a n GLU 44 Ca 0.00 -3.77 -0.07 0.00 0.66 0.00 0.00 57.16 53.98 1s7a n GLU 44 Cb 0.00 -2.27 0.04 0.00 0.27 0.00 0.00 31.44 29.48 1s7a n GLU 44 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1s7a n GLY 45 N -0.55 0.07 2.65 8.31 0.00 0.10 -5.04 105.19 110.73 1s7a n GLY 45 Ca 0.50 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 46.12 1s7a n GLY 45 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1s7a s TRP 46 N -3.16 0.49 -0.13 1.61 0.52 -1.26 -4.25 118.94 112.75 1s7a s TRP 46 Ca 0.06 -0.54 -0.06 0.00 0.02 0.00 0.00 56.10 55.57 1s7a s TRP 46 Cb -0.01 -0.83 -0.04 0.00 -1.15 0.00 0.00 33.47 31.45 1s7a s TRP 46 CO 0.32 -0.57 0.09 0.08 0.02 0.00 0.00 176.95 176.89 1s7a s VAL 47 N 2.04 5.06 0.33 4.03 1.01 0.12 -4.75 120.40 128.24 1s7a s VAL 47 Ca 0.02 0.05 -0.13 0.00 0.00 0.00 0.00 61.98 61.91 1s7a s VAL 47 Cb -0.16 -3.21 -0.08 0.00 0.00 0.00 0.00 36.38 32.92 1s7a s VAL 47 CO -0.11 0.56 0.72 -2.16 0.00 0.00 0.00 175.10 174.12 1s7a s PRO 48 N -0.55 3.91 0.00 2.72 0.04 -1.26 0.17 135.00 140.03 1s7a s PRO 48 Ca 0.11 0.55 0.04 0.00 0.04 0.00 0.00 61.00 61.75 1s7a s PRO 48 Cb -0.12 -2.45 0.26 0.00 0.04 0.00 0.00 34.50 32.24 1s7a s PRO 48 CO 0.02 0.12 0.72 1.28 0.04 0.00 0.00 177.00 179.18 1s7a n LEU 49 N -0.62 0.00 -0.10 -3.56 4.77 -1.01 -2.73 117.00 113.75 1s7a n LEU 49 Ca 0.03 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.91 1s7a n LEU 49 Cb 0.53 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 1s7a n LEU 49 CO 0.44 0.00 0.87 1.05 -1.33 0.00 0.00 177.39 178.41 1s7a h GLU 50 N 0.00 0.46 -0.18 3.23 4.11 -1.91 1.25 114.58 121.54 1s7a h GLU 50 Ca 0.00 -0.09 -0.09 0.00 0.07 0.00 0.00 59.36 59.25 1s7a h GLU 50 Cb 0.00 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1s7a h GLU 50 CO 0.00 0.50 -0.26 0.82 0.07 0.00 0.00 179.01 180.14 1s7a h ILE 51 N 0.32 1.26 0.07 -1.06 2.04 -1.92 0.38 117.51 118.60 1s7a h ILE 51 Ca 0.10 -1.21 -0.18 0.00 1.00 0.00 0.00 64.86 64.56 1s7a h ILE 51 Cb 0.23 1.41 0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1s7a h ILE 51 CO -0.00 0.37 -0.76 0.24 0.00 0.00 0.00 178.15 178.00 1s7a h MET 52 N 0.30 0.39 -0.01 2.37 2.86 -1.59 -2.21 114.93 117.04 1s7a h MET 52 Ca 0.05 -0.51 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 1s7a h MET 52 Cb 0.63 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.46 1s7a h MET 52 CO 0.05 1.19 0.00 0.44 1.06 0.00 0.00 176.91 179.65 1s7a n ILE 53 N -4.13 0.01 0.00 -1.22 -6.64 0.43 -3.32 119.36 104.49 1s7a n ILE 53 Ca -0.12 -0.02 0.03 0.00 -1.77 0.00 0.00 62.75 60.86 1s7a n ILE 53 Cb 0.77 -0.31 -0.04 0.00 -1.44 0.00 0.00 39.64 38.62 1s7a n ILE 53 CO 0.00 0.00 0.00 1.17 -1.77 0.00 0.00 176.55 175.95 1s7a n LYS 54 N -0.78 0.26 -2.48 6.28 4.81 0.11 -4.20 118.16 122.16 1s7a n LYS 54 Ca 0.18 -0.05 -0.36 0.00 -0.87 0.00 0.00 58.31 57.21 1s7a n LYS 54 Cb 0.10 -1.12 -0.03 0.00 0.02 0.00 0.00 35.03 34.00 1s7a n LYS 54 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1s7a s PHE 55 N -2.37 3.08 0.64 5.64 0.08 -0.84 -4.70 117.98 119.52 1s7a s PHE 55 Ca -0.02 1.60 0.34 0.00 0.12 0.00 0.00 56.93 58.97 1s7a s PHE 55 Cb 0.04 -3.16 1.90 0.00 -0.57 0.00 0.00 43.02 41.22 1s7a s PHE 55 CO 0.23 -0.90 2.12 -0.91 -0.10 0.00 0.00 175.22 175.67 1s7a h ASN 56 N 2.06 0.00 -0.35 1.36 2.35 -1.91 0.45 115.58 119.54 1s7a h ASN 56 Ca -0.49 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.22 1s7a h ASN 56 Cb 1.22 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.58 1s7a h ASN 56 CO 0.61 0.00 0.08 -0.09 -1.65 0.00 0.00 177.43 176.37 1s7a h ARG 57 N 0.00 0.57 0.00 0.81 9.65 -1.90 -3.03 114.38 120.48 1s7a h ARG 57 Ca 0.03 -0.14 -0.35 0.00 -1.10 0.00 0.00 59.98 58.42 1s7a h ARG 57 Cb 0.41 -0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 28.85 1s7a h ARG 57 CO -0.00 0.63 -2.32 -0.11 2.80 0.00 0.00 179.97 180.97 1s7a n LEU 58 N -4.60 2.15 0.27 3.80 7.94 -0.68 -4.31 117.00 121.58 1s7a n LEU 58 Ca -0.01 -0.09 0.18 0.00 -1.11 0.00 0.00 56.01 54.98 1s7a n LEU 58 Cb 0.21 -0.47 0.90 0.00 0.53 0.00 0.00 43.42 44.59 1s7a n LEU 58 CO 0.38 0.77 1.15 -1.13 -1.11 0.00 0.00 177.39 177.46 1s7a h ASN 59 N 0.00 0.00 0.70 1.96 -1.24 -0.27 0.54 115.58 117.28 1s7a h ASN 59 Ca -0.52 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.49 1s7a h ASN 59 Cb 1.90 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.95 1s7a h ASN 59 CO -0.05 0.00 -0.02 -1.14 -1.29 0.00 0.00 177.43 174.93 1s7a n ARG 60 N -3.27 0.29 0.00 6.67 0.00 -1.14 -4.85 116.66 114.36 1s7a n ARG 60 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1s7a n ARG 60 Cb 0.33 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.29 1s7a n ARG 60 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1s7a n LEU 61 N -1.35 0.00 0.00 6.15 4.77 0.19 -5.06 117.00 121.71 1s7a n LEU 61 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1s7a n LEU 61 Cb 0.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1s7a n LEU 61 CO 0.25 0.00 0.11 0.41 -1.33 0.00 0.00 177.39 176.83 1s7a n THR 62 N 0.00 0.00 -0.74 -5.08 -1.04 -1.25 -4.74 114.28 101.43 1s7a n THR 62 Ca 0.00 0.72 0.00 0.00 -2.04 0.00 0.00 64.05 62.73 1s7a n THR 62 Cb 0.00 -1.25 0.00 0.00 -1.82 0.00 0.00 70.33 67.26 1s7a n THR 62 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1s7a n THR 63 N -0.43 0.00 -2.82 12.58 -1.04 -1.24 -4.92 114.28 116.41 1s7a n THR 63 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 1s7a n THR 63 Cb 0.00 -0.16 -0.04 0.00 -1.82 0.00 0.00 70.33 68.31 1s7a n THR 63 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1s7a s ASP 64 N -2.72 6.49 0.33 8.00 1.01 -1.26 -4.82 116.67 123.70 1s7a s ASP 64 Ca 0.00 0.09 0.10 0.00 0.71 0.00 0.00 52.55 53.45 1s7a s ASP 64 Cb 0.00 -2.45 1.02 0.00 1.01 0.00 0.00 42.92 42.49 1s7a s ASP 64 CO 0.00 -1.07 1.59 -0.26 0.21 0.00 0.00 175.17 175.64 1s7a h PHE 65 N 9.10 0.40 -0.18 4.23 0.04 -1.95 1.23 116.94 129.81 1s7a h PHE 65 Ca -0.24 0.05 -0.13 0.00 2.80 0.00 0.00 57.97 60.45 1s7a h PHE 65 Cb 1.07 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.21 1s7a h PHE 65 CO 0.88 -0.42 -0.40 -0.91 -0.60 0.00 0.00 178.31 176.85 1s7a h ASN 66 N 0.04 0.66 -0.23 2.17 -0.26 -1.93 -2.39 115.58 113.64 1s7a h ASN 66 Ca 0.71 -0.56 -0.17 0.00 -0.56 0.00 0.00 56.30 55.71 1s7a h ASN 66 Cb 1.67 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 38.74 1s7a h ASN 66 CO -0.82 1.10 -0.52 0.58 -1.06 0.00 0.00 177.43 176.72 1s7a h VAL 67 N 0.24 1.30 -0.24 2.81 2.07 -0.49 -1.44 116.25 120.50 1s7a h VAL 67 Ca -0.00 -1.73 -0.01 0.00 0.82 0.00 0.00 66.70 65.78 1s7a h VAL 67 Cb 1.01 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 1s7a h VAL 67 CO 0.09 0.55 0.10 -0.29 0.02 0.00 0.00 177.57 178.04 1s7a h ILE 68 N 0.48 1.16 -0.21 4.57 2.10 0.12 -2.56 117.51 123.16 1s7a h ILE 68 Ca -0.00 -0.47 -0.13 0.00 1.08 0.00 0.00 64.86 65.34 1s7a h ILE 68 Cb 1.13 1.03 -0.01 0.00 -1.09 0.00 0.00 36.82 37.88 1s7a h ILE 68 CO 0.11 0.16 -0.42 -0.37 -1.08 0.00 0.00 178.15 176.55 1s7a h VAL 69 N 0.24 1.31 -0.81 2.19 -1.51 -1.48 -2.98 116.25 113.21 1s7a h VAL 69 Ca 0.08 -1.59 0.04 0.00 -1.23 0.00 0.00 66.70 64.00 1s7a h VAL 69 Cb 0.15 1.60 -0.05 0.00 -2.13 0.00 0.00 31.29 30.86 1s7a h VAL 69 CO -0.01 0.50 0.53 -0.08 -1.23 0.00 0.00 177.57 177.28 1s7a h GLU 70 N 0.42 0.93 -0.36 5.19 4.57 -1.03 -0.27 114.58 124.03 1s7a h GLU 70 Ca 0.03 -0.06 -0.13 0.00 -1.18 0.00 0.00 59.36 58.03 1s7a h GLU 70 Cb 0.91 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 1s7a h GLU 70 CO 0.08 0.62 -0.28 0.00 -1.18 0.00 0.00 179.01 178.25 1s7a h ALA 71 N 1.54 0.82 0.00 2.92 0.00 -1.31 -2.92 119.26 120.32 1s7a h ALA 71 Ca 0.33 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1s7a h ALA 71 Cb 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1s7a h ALA 71 CO -0.10 0.64 -0.61 -0.07 0.00 0.00 0.00 179.25 179.11 1s7a h LEU 72 N 0.66 0.00 -2.49 0.00 3.38 -1.28 -2.99 115.31 112.58 1s7a h LEU 72 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1s7a h LEU 72 Cb 0.80 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1s7a h LEU 72 CO 0.07 0.61 0.16 0.77 0.09 0.00 0.00 178.44 180.14 1s7a h SER 73 N 0.00 0.00 0.00 -0.43 4.64 -0.87 -1.44 113.55 115.45 1s7a h SER 73 Ca -0.01 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1s7a h SER 73 Cb 1.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1s7a h SER 73 CO 0.08 0.00 -1.73 1.17 -0.87 0.00 0.00 176.83 175.48 1s7a n LYS 74 N -3.06 0.64 -1.13 4.77 4.81 -1.14 -5.01 118.16 118.04 1s7a n LYS 74 Ca -0.02 -0.12 -0.34 0.00 -0.87 0.00 0.00 58.31 56.96 1s7a n LYS 74 Cb 0.23 -1.36 0.11 0.00 0.02 0.00 0.00 35.03 34.03 1s7a n LYS 74 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1s7a n SER 75 N -2.10 -0.09 0.00 3.14 2.88 -0.54 -4.94 113.62 111.97 1s7a n SER 75 Ca -0.06 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 1s7a n SER 75 Cb 0.47 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 1s7a n SER 75 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1s7a n LYS 76 N -2.20 3.64 -0.33 -1.46 -0.00 -1.26 -4.60 118.16 111.94 1s7a n LYS 76 Ca 0.12 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.47 1s7a n LYS 76 Cb 0.51 -0.71 0.18 0.00 -0.00 0.00 0.00 35.03 35.02 1s7a n LYS 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s7a n ALA 77 N -1.16 2.87 -1.45 0.58 0.00 -1.26 -4.84 120.51 115.25 1s7a n ALA 77 Ca 0.00 -0.82 -0.12 0.00 0.00 0.00 0.00 53.44 52.50 1s7a n ALA 77 Cb 0.00 -1.02 -0.10 0.00 0.00 0.00 0.00 19.45 18.33 1s7a n ALA 77 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1s7a n GLU 78 N 0.43 0.20 0.26 0.00 4.07 -1.26 -4.65 120.64 119.67 1s7a n GLU 78 Ca 0.13 -0.84 0.14 0.00 -0.06 0.00 0.00 57.16 56.52 1s7a n GLU 78 Cb 0.54 -2.82 0.63 0.00 -0.06 0.00 0.00 31.44 29.73 1s7a n GLU 78 CO 0.00 0.00 0.00 1.37 -0.06 0.00 0.00 177.13 178.44 1s7a h LEU 79 N 18.10 0.00 0.00 4.31 8.10 -1.97 -3.44 115.31 140.42 1s7a h LEU 79 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.00 1s7a h LEU 79 Cb 1.02 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.24 1s7a h LEU 79 CO 1.10 0.12 0.00 0.23 -4.11 0.00 0.00 178.44 175.78 1s7a n MET 80 N -3.33 2.56 -4.04 0.17 2.81 -1.26 -4.53 117.12 109.51 1s7a n MET 80 Ca -0.00 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.81 1s7a n MET 80 Cb 0.33 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.74 1s7a n MET 80 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1s7a s GLU 81 N 2.03 0.55 0.03 0.03 2.02 -1.16 -4.94 118.70 117.25 1s7a s GLU 81 Ca 0.00 -1.03 0.08 0.00 0.02 0.00 0.00 54.97 54.04 1s7a s GLU 81 Cb 0.00 0.20 -0.02 0.00 0.10 0.00 0.00 34.13 34.40 1s7a s GLU 81 CO 0.00 -0.11 -0.23 0.42 0.02 0.00 0.00 175.26 175.36 1s7a s ILE 82 N -3.24 1.84 0.00 -1.63 1.01 -1.26 -2.35 121.20 115.57 1s7a s ILE 82 Ca 0.01 -1.19 0.00 0.00 0.00 0.00 0.00 60.65 59.47 1s7a s ILE 82 Cb 0.03 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.93 1s7a s ILE 82 CO -0.08 0.34 0.00 -0.24 0.00 0.00 0.00 174.94 174.97 1s7a n SER 83 N 2.02 -1.76 0.06 3.58 2.88 -1.25 -4.88 113.62 114.28 1s7a n SER 83 Ca -0.17 -0.12 0.13 0.00 -1.33 0.00 0.00 58.87 57.39 1s7a n SER 83 Cb 0.53 0.00 0.36 0.00 -0.75 0.00 0.00 64.21 64.35 1s7a n SER 83 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1s7a n GLU 84 N -1.87 0.19 0.04 -1.46 1.02 -1.26 -3.54 120.64 113.77 1s7a n GLU 84 Ca 0.00 0.11 0.12 0.00 -0.02 0.00 0.00 57.16 57.37 1s7a n GLU 84 Cb 0.00 -1.68 0.17 0.00 -0.02 0.00 0.00 31.44 29.91 1s7a n GLU 84 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1s7a n ASP 85 N -1.99 0.64 -2.57 1.62 9.92 -1.26 -4.97 116.55 117.94 1s7a n ASP 85 Ca 0.05 0.01 -0.11 0.00 -0.53 0.00 0.00 54.79 54.21 1s7a n ASP 85 Cb 0.41 0.25 0.06 0.00 -0.64 0.00 0.00 41.12 41.19 1s7a n ASP 85 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1s7a n LYS 86 N -1.96 -4.24 -0.88 -1.24 3.00 -1.23 -4.94 118.16 106.66 1s7a n LYS 86 Ca 0.04 0.55 -0.00 0.00 -0.00 0.00 0.00 58.31 58.89 1s7a n LYS 86 Cb 0.42 -4.67 -0.01 0.00 0.00 0.00 0.00 35.03 30.77 1s7a n LYS 86 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1s7a n THR 87 N -3.01 0.00 -3.46 3.15 -2.24 -1.26 -4.88 114.28 102.57 1s7a n THR 87 Ca -0.19 -0.27 -0.13 0.00 -2.27 0.00 0.00 64.05 61.19 1s7a n THR 87 Cb 0.61 0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 69.33 1s7a n THR 87 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1s7a s LYS 88 N 0.00 1.13 0.17 -0.78 0.00 -1.26 -2.40 119.74 116.61 1s7a s LYS 88 Ca 0.09 -0.24 0.02 0.00 0.00 0.00 0.00 55.97 55.84 1s7a s LYS 88 Cb 0.11 0.53 -0.05 0.00 0.00 0.00 0.00 37.83 38.42 1s7a s LYS 88 CO -0.05 -0.46 0.00 0.96 0.00 0.00 0.00 175.35 175.81 1s7a s ILE 89 N -2.92 0.68 0.05 3.79 -4.36 0.46 -3.86 121.20 115.05 1s7a s ILE 89 Ca -0.02 -1.98 -0.14 0.00 -0.26 0.00 0.00 60.65 58.26 1s7a s ILE 89 Cb -0.01 -2.13 0.02 0.00 1.25 0.00 0.00 42.46 41.60 1s7a s ILE 89 CO -0.06 -0.47 0.31 0.00 0.24 0.00 0.00 174.94 174.96 1s7a s ARG 90 N -3.91 0.84 -0.11 0.37 1.70 -0.99 0.14 118.95 116.98 1s7a s ARG 90 Ca 0.24 -0.55 -0.11 0.00 -0.47 0.00 0.00 55.73 54.84 1s7a s ARG 90 Cb 0.06 0.36 -0.05 0.00 -0.57 0.00 0.00 34.95 34.76 1s7a s ARG 90 CO 0.04 -0.28 0.24 0.50 -1.08 0.00 0.00 175.30 174.73 1s7a s ARG 91 N -2.76 3.86 -0.41 3.89 6.06 -1.26 -3.00 118.95 125.32 1s7a s ARG 91 Ca -0.03 0.04 -0.28 0.00 -2.50 0.00 0.00 55.73 52.95 1s7a s ARG 91 Cb -0.00 -3.29 -0.00 0.00 0.06 0.00 0.00 34.95 31.72 1s7a s ARG 91 CO -0.05 0.56 1.59 -1.54 -2.50 0.00 0.00 175.30 173.37 1s7a s SER 92 N -0.48 6.07 0.55 -2.12 1.04 -1.26 -4.82 113.70 112.68 1s7a s SER 92 Ca 0.16 0.92 0.33 0.00 0.48 0.00 0.00 55.95 57.84 1s7a s SER 92 Cb -0.13 -2.53 1.56 0.00 0.10 0.00 0.00 66.02 65.01 1s7a s SER 92 CO 0.05 -1.64 2.08 1.55 0.98 0.00 0.00 173.24 176.26 1s7a h PRO 93 N 11.88 0.00 -0.12 4.02 0.13 -1.99 -0.84 132.00 145.09 1s7a h PRO 93 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1s7a h PRO 93 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1s7a h PRO 93 CO 1.08 0.07 0.00 0.43 -0.23 0.00 0.00 178.00 179.35 1s7a n SER 94 N -3.32 1.24 -4.46 1.44 7.64 -1.26 -4.80 113.62 110.10 1s7a n SER 94 Ca -0.01 -1.62 -0.33 0.00 1.01 0.00 0.00 58.87 57.91 1s7a n SER 94 Cb 0.25 -0.07 -0.13 0.00 -1.01 0.00 0.00 64.21 63.25 1s7a n SER 94 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1s7a s LYS 95 N -1.85 3.21 0.58 1.43 2.20 -0.32 -5.09 119.74 119.89 1s7a s LYS 95 Ca 0.32 -0.61 -0.20 0.00 -0.36 0.00 0.00 55.97 55.12 1s7a s LYS 95 Cb 0.17 -2.66 -0.04 0.00 -1.51 0.00 0.00 37.83 33.79 1s7a s LYS 95 CO 0.26 0.37 1.24 -1.25 -0.36 0.00 0.00 175.35 175.61 1s7a s PRO 96 N -0.03 3.01 -0.33 4.03 0.04 -1.26 -4.90 135.00 135.55 1s7a s PRO 96 Ca -0.01 1.93 0.04 0.00 0.04 0.00 0.00 61.00 62.99 1s7a s PRO 96 Cb -0.14 -2.02 0.10 0.00 0.04 0.00 0.00 34.50 32.49 1s7a s PRO 96 CO 0.03 -1.21 0.05 -1.17 0.04 0.00 0.00 177.00 174.74 1s7a s LEU 97 N -3.93 4.48 0.21 -3.56 0.20 -1.26 -5.09 118.68 109.74 1s7a s LEU 97 Ca 0.76 -2.07 0.05 0.00 0.69 0.00 0.00 54.13 53.55 1s7a s LEU 97 Cb -0.33 -1.56 -0.03 0.00 -0.43 0.00 0.00 46.19 43.84 1s7a s LEU 97 CO 0.37 -0.37 0.30 -2.16 -0.29 0.00 0.00 176.35 174.19 1s7a s PRO 98 N 0.97 3.33 -0.19 0.98 0.05 -1.26 -5.01 135.00 133.86 1s7a s PRO 98 Ca 0.10 -0.77 -0.04 0.00 0.05 0.00 0.00 61.00 60.34 1s7a s PRO 98 Cb -0.19 -2.85 -0.02 0.00 0.05 0.00 0.00 34.50 31.49 1s7a s PRO 98 CO -0.09 0.45 -0.02 -2.00 0.05 0.00 0.00 177.00 175.40 1s7a s GLU 99 N -3.69 3.61 0.33 4.56 2.12 -1.26 -4.75 118.70 119.62 1s7a s GLU 99 Ca 0.34 -0.53 -0.01 0.00 0.36 0.00 0.00 54.97 55.12 1s7a s GLU 99 Cb -0.09 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 1s7a s GLU 99 CO 0.28 0.06 0.56 0.08 -0.54 0.00 0.00 175.26 175.69 1s7a s VAL 100 N 0.87 5.08 0.14 3.70 1.01 -1.26 -5.10 120.40 124.82 1s7a s VAL 100 Ca 0.00 -0.26 0.10 0.00 0.00 0.00 0.00 61.98 61.82 1s7a s VAL 100 Cb -0.14 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1s7a s VAL 100 CO 0.02 -0.49 -0.23 0.42 0.00 0.00 0.00 175.10 174.82 1s7a s THR 101 N -2.26 2.52 -0.09 3.92 -4.23 -1.26 -5.11 115.64 109.12 1s7a s THR 101 Ca 0.41 -1.71 -0.12 0.00 -1.18 0.00 0.00 61.69 59.09 1s7a s THR 101 Cb -0.10 -2.15 -0.05 0.00 1.34 0.00 0.00 72.50 71.54 1s7a s THR 101 CO 0.35 0.05 0.29 -1.81 -0.54 0.00 0.00 174.62 172.96 1s7a s ASP 102 N -2.21 6.56 0.00 3.99 1.11 -1.26 -5.33 116.67 119.52 1s7a s ASP 102 Ca 0.17 0.66 0.00 0.00 0.18 0.00 0.00 52.55 53.56 1s7a s ASP 102 Cb -0.10 -2.17 0.00 0.00 1.07 0.00 0.00 42.92 41.72 1s7a s ASP 102 CO 0.08 0.27 0.47 1.21 1.18 0.00 0.00 175.17 178.38