#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s7a h ALA 2 N 0.00 1.00 -4.78 3.17 0.00 -2.13 -3.43 119.26 113.09 1s7a h ALA 2 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.44 1s7a h ALA 2 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.67 1s7a h ALA 2 CO 0.00 -0.00 -0.44 0.39 0.00 0.00 0.00 179.25 179.20 1s7a n GLU 3 N -2.41 0.44 -3.73 0.00 1.02 -1.26 -5.17 120.64 109.54 1s7a n GLU 3 Ca -0.02 -3.15 -0.14 0.00 -0.02 0.00 0.00 57.16 53.84 1s7a n GLU 3 Cb 0.04 2.32 -0.09 0.00 -0.02 0.00 0.00 31.44 33.69 1s7a n GLU 3 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1s7a s ASN 4 N -3.23 -0.35 0.00 1.62 4.22 -1.26 -5.05 114.94 110.89 1s7a s ASN 4 Ca 0.32 0.53 0.00 0.00 -2.14 0.00 0.00 52.86 51.57 1s7a s ASN 4 Cb 0.02 0.61 0.00 0.00 1.28 0.00 0.00 41.25 43.15 1s7a s ASN 4 CO 0.23 -0.30 0.00 0.61 -2.04 0.00 0.00 177.10 175.60 1s7a n GLY 5 N 2.09 -0.22 2.04 0.45 0.00 -1.26 -5.15 105.19 103.14 1s7a n GLY 5 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1s7a n GLY 5 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s7a n ASP 6 N -2.12 -9.43 -3.11 1.61 8.00 -1.26 -4.99 116.55 105.25 1s7a n ASP 6 Ca 0.00 1.41 -0.15 0.00 0.71 0.00 0.00 54.79 56.76 1s7a n ASP 6 Cb 0.00 -5.23 0.10 0.00 -0.02 0.00 0.00 41.12 35.97 1s7a n ASP 6 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1s7a n ASN 7 N 1.36 0.22 0.07 -2.24 4.05 -1.26 -4.94 115.26 112.53 1s7a n ASN 7 Ca 0.00 -1.35 -0.02 0.00 0.45 0.00 0.00 54.58 53.66 1s7a n ASN 7 Cb 0.00 -0.50 0.24 0.00 1.23 0.00 0.00 39.78 40.75 1s7a n ASN 7 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 177.26 174.13 1s7a h GLU 8 N 0.00 0.32 -0.51 1.20 4.81 -2.01 -3.02 114.58 115.36 1s7a h GLU 8 Ca -0.22 -0.13 0.04 0.00 -0.13 0.00 0.00 59.36 58.92 1s7a h GLU 8 Cb 0.65 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.97 1s7a h GLU 8 CO 0.17 0.61 0.27 -0.22 -0.73 0.00 0.00 179.01 179.11 1s7a h LYS 9 N 0.27 0.50 -0.64 1.92 3.64 -2.00 -1.70 116.57 118.57 1s7a h LYS 9 Ca 0.03 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1s7a h LYS 9 Cb 0.72 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 1s7a h LYS 9 CO 0.05 0.33 0.34 1.98 -2.27 0.00 0.00 179.45 179.89 1s7a h MET 10 N 0.52 0.89 0.24 1.90 4.05 -1.89 0.23 114.93 120.87 1s7a h MET 10 Ca 0.22 -0.10 -0.00 0.00 -0.28 0.00 0.00 59.70 59.54 1s7a h MET 10 Cb 0.12 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.73 1s7a h MET 10 CO -0.15 0.66 -0.17 0.00 0.23 0.00 0.00 176.91 177.49 1s7a h ALA 11 N 1.48 -0.39 -0.09 0.39 0.00 -1.28 0.11 119.26 119.48 1s7a h ALA 11 Ca 0.23 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 1s7a h ALA 11 Cb 0.04 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1s7a h ALA 11 CO -0.04 -0.73 -0.55 0.00 0.00 0.00 0.00 179.25 177.93 1s7a h ALA 12 N 0.33 0.90 -0.73 0.00 0.00 -1.22 -3.08 119.26 115.46 1s7a h ALA 12 Ca -0.02 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 1s7a h ALA 12 Cb 0.35 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1s7a h ALA 12 CO 0.00 0.69 0.22 1.25 0.00 0.00 0.00 179.25 181.41 1s7a h LEU 13 N 0.20 1.07 -0.38 0.00 5.85 -0.18 0.11 115.31 121.99 1s7a h LEU 13 Ca 0.00 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1s7a h LEU 13 Cb 1.03 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 1s7a h LEU 13 CO 0.09 1.00 0.25 -0.08 -0.34 0.00 0.00 178.44 179.36 1s7a h GLU 14 N 1.08 0.50 -0.20 1.25 4.81 -0.71 -1.11 114.58 120.21 1s7a h GLU 14 Ca 0.23 -0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 59.23 1s7a h GLU 14 Cb 0.32 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1s7a h GLU 14 CO -0.01 0.34 -0.66 0.00 -0.73 0.00 0.00 179.01 177.95 1s7a h ALA 15 N 1.13 0.44 -0.99 2.92 0.00 -1.49 -3.12 119.26 118.15 1s7a h ALA 15 Ca 0.14 -0.56 0.05 0.00 0.00 0.00 0.00 54.91 54.54 1s7a h ALA 15 Cb -0.05 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 1s7a h ALA 15 CO -0.03 0.69 0.65 -0.22 0.00 0.00 0.00 179.25 180.34 1s7a h LYS 16 N 0.56 1.18 -0.45 0.00 1.63 -0.51 -1.28 116.57 117.70 1s7a h LYS 16 Ca -0.02 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 1s7a h LYS 16 Cb 1.27 -0.27 -0.02 0.00 -0.60 0.00 0.00 32.23 32.61 1s7a h LYS 16 CO 0.14 0.78 0.24 0.82 -3.45 0.00 0.00 179.45 177.97 1s7a h ILE 17 N 1.21 1.17 -0.73 2.00 2.04 -1.15 -1.86 117.51 120.19 1s7a h ILE 17 Ca 0.41 -0.44 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 1s7a h ILE 17 Cb 0.08 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1s7a h ILE 17 CO -0.15 0.18 0.25 0.00 0.00 0.00 0.00 178.15 178.44 1s7a h HIS 19 N 1.06 0.77 -0.14 0.00 6.17 -0.90 -1.82 115.15 120.29 1s7a h HIS 19 Ca 0.24 -0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.31 1s7a h HIS 19 Cb 0.27 -0.25 -0.01 0.00 2.52 0.00 0.00 27.41 29.94 1s7a h HIS 19 CO 0.02 0.53 0.06 1.96 0.71 0.00 0.00 177.93 181.22 1s7a h GLN 20 N 0.80 0.21 -0.66 5.26 1.08 -0.86 -1.59 115.11 119.35 1s7a h GLN 20 Ca 0.21 -0.03 0.06 0.00 -1.45 0.00 0.00 58.65 57.43 1s7a h GLN 20 Cb 0.00 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.36 1s7a h GLN 20 CO -0.04 0.28 0.43 0.82 -0.95 0.00 0.00 178.83 179.38 1s7a h ILE 21 N 0.09 1.02 -0.45 2.54 1.08 -1.25 0.11 117.51 120.66 1s7a h ILE 21 Ca 0.05 -0.23 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 1s7a h ILE 21 Cb 0.14 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 34.15 1s7a h ILE 21 CO -0.01 0.12 0.23 -0.08 -0.69 0.00 0.00 178.15 177.73 1s7a h GLU 22 N 0.68 0.61 -0.49 2.37 4.81 -0.48 -1.42 114.58 120.66 1s7a h GLU 22 Ca 0.28 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1s7a h GLU 22 Cb 0.24 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1s7a h GLU 22 CO -0.09 0.47 0.28 -0.92 -0.73 0.00 0.00 179.01 178.02 1s7a h TYR 23 N 0.62 0.67 0.12 0.92 3.20 0.09 5.13 116.97 127.71 1s7a h TYR 23 Ca 0.16 -0.01 -0.30 0.00 3.14 0.00 0.00 58.73 61.72 1s7a h TYR 23 Cb 0.05 -0.21 0.03 0.00 1.54 0.00 0.00 36.73 38.13 1s7a h TYR 23 CO 0.00 0.49 -1.24 1.88 -1.64 0.00 0.00 178.16 177.65 1s7a h TYR 24 N 0.65 1.03 0.00 -3.82 0.05 -1.43 -3.18 116.97 110.27 1s7a h TYR 24 Ca 0.17 -0.64 -0.08 0.00 0.05 0.00 0.00 58.73 58.24 1s7a h TYR 24 Cb 0.04 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.68 1s7a h TYR 24 CO -0.02 1.48 -1.99 1.19 -1.05 0.00 0.00 178.16 177.77 1s7a n PHE 25 N -3.80 0.09 0.00 4.88 3.72 -0.57 -2.18 117.46 119.61 1s7a n PHE 25 Ca -0.14 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1s7a n PHE 25 Cb 0.98 -0.64 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 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 1.35 0.37 4.83 1.37 0.00 1.67 -4.35 105.19 110.44 1s7a n GLY 26 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1s7a n GLY 26 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s7a n ASP 27 N 1.86 0.00 -0.04 1.61 2.03 -1.26 -4.57 116.55 116.17 1s7a n ASP 27 Ca 0.00 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.15 1s7a n ASP 27 Cb 0.00 -0.55 -0.13 0.00 -0.72 0.00 0.00 41.12 39.71 1s7a n ASP 27 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1s7a h PHE 28 N 0.00 0.15 0.05 -0.67 3.57 -1.81 -3.35 116.94 114.88 1s7a h PHE 28 Ca 0.00 -0.11 -0.23 0.00 3.53 0.00 0.00 57.97 61.16 1s7a h PHE 28 Cb 0.00 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1s7a h PHE 28 CO 0.00 1.09 -1.03 -0.91 -2.23 0.00 0.00 178.31 175.23 1s7a h ASN 29 N -0.83 0.34 -0.98 0.41 -0.26 -1.59 -3.33 115.58 109.34 1s7a h ASN 29 Ca -0.04 -0.31 0.06 0.00 -0.56 0.00 0.00 56.30 55.45 1s7a h ASN 29 Cb 1.18 -0.11 -0.06 0.00 -1.06 0.00 0.00 38.32 38.27 1s7a h ASN 29 CO 0.04 1.17 0.64 -0.07 -1.06 0.00 0.00 177.43 178.15 1s7a h LEU 30 N 0.11 1.02 -1.21 1.61 3.38 -1.60 3.57 115.31 122.19 1s7a h LEU 30 Ca -0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1s7a h LEU 30 Cb 1.70 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.24 1s7a h LEU 30 CO 0.16 0.66 0.04 -2.65 0.09 0.00 0.00 178.44 176.74 1s7a n PRO 31 N -4.49 0.12 0.00 1.13 -0.02 -1.25 -3.33 135.00 127.16 1s7a n PRO 31 Ca 0.15 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1s7a n PRO 31 Cb 0.18 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1s7a n PRO 31 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1s7a n ARG 32 N -2.15 0.00 -1.56 -0.52 1.74 -0.39 -4.94 116.66 108.85 1s7a n ARG 32 Ca -0.01 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.73 1s7a n ARG 32 Cb 0.07 -0.18 -0.03 0.00 -1.02 0.00 0.00 32.46 31.30 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 4.38 0.00 0.55 1.11 1.17 -4.77 116.67 119.11 1s7a s ASP 33 Ca 0.00 0.99 -0.21 0.00 0.18 0.00 0.00 52.55 53.51 1s7a s ASP 33 Cb 0.00 -2.50 -0.21 0.00 1.07 0.00 0.00 42.92 41.28 1s7a s ASP 33 CO 0.00 -2.97 1.15 0.11 1.18 0.00 0.00 175.17 174.64 1s7a h LYS 34 N 19.05 0.36 -0.78 8.23 1.79 -1.92 0.16 116.57 143.46 1s7a h LYS 34 Ca -0.22 -0.32 -0.02 0.00 -2.18 0.00 0.00 60.65 57.91 1s7a h LYS 34 Cb 1.25 0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.93 1s7a h LYS 34 CO 1.15 0.98 0.41 0.27 -1.08 0.00 0.00 179.45 181.17 1s7a h PHE 35 N -0.14 1.09 -0.00 -1.35 -5.15 -1.98 -0.30 116.94 109.10 1s7a h PHE 35 Ca -0.04 -0.03 -0.22 0.00 -0.20 0.00 0.00 57.97 57.48 1s7a h PHE 35 Cb 1.08 -0.34 0.00 0.00 0.22 0.00 0.00 35.95 36.91 1s7a h PHE 35 CO 0.14 0.77 -0.92 1.25 -2.00 0.00 0.00 178.31 177.55 1s7a h LEU 36 N 1.10 0.49 -1.15 2.10 7.12 -1.94 -3.00 115.31 120.04 1s7a h LEU 36 Ca 0.27 -0.39 -0.07 0.00 0.13 0.00 0.00 57.88 57.82 1s7a h LEU 36 Cb 0.06 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.03 1s7a h LEU 36 CO -0.04 1.19 -0.15 0.11 -0.13 0.00 0.00 178.44 179.42 1s7a h LYS 37 N 0.22 0.42 -0.18 1.25 1.79 -0.07 0.45 116.57 120.44 1s7a h LYS 37 Ca -0.07 -0.12 -0.12 0.00 -2.18 0.00 0.00 60.65 58.16 1s7a h LYS 37 Cb 1.55 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 32.16 1s7a h LYS 37 CO 0.16 0.56 -0.36 1.05 -1.08 0.00 0.00 179.45 179.78 1s7a h GLU 38 N 0.39 0.56 -0.05 3.15 4.11 -1.06 -0.25 114.58 121.43 1s7a h GLU 38 Ca 0.07 -0.36 -0.04 0.00 0.07 0.00 0.00 59.36 59.10 1s7a h GLU 38 Cb 0.49 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1s7a h GLU 38 CO 0.03 0.97 -0.12 0.37 0.07 0.00 0.00 179.01 180.34 1s7a h GLN 39 N 0.22 0.17 -0.81 1.06 5.75 -1.37 -1.41 115.11 118.72 1s7a h GLN 39 Ca 0.01 -0.11 0.04 0.00 -0.15 0.00 0.00 58.65 58.44 1s7a h GLN 39 Cb 0.95 0.02 -0.05 0.00 1.07 0.00 0.00 27.48 29.47 1s7a h GLN 39 CO 0.08 0.71 0.53 0.97 -2.65 0.00 0.00 178.83 178.47 1s7a h ILE 40 N -0.35 1.10 0.00 2.39 2.10 -0.16 -0.84 117.51 121.74 1s7a h ILE 40 Ca -0.00 -0.33 -0.10 0.00 1.08 0.00 0.00 64.86 65.51 1s7a h ILE 40 Cb 0.71 0.05 -0.01 0.00 -1.09 0.00 0.00 36.82 36.48 1s7a h ILE 40 CO 0.03 0.18 -0.46 0.11 -1.08 0.00 0.00 178.15 176.93 1s7a h LYS 41 N 0.97 0.00 0.00 2.19 1.79 -0.98 0.54 116.57 121.08 1s7a h LYS 41 Ca 0.33 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.80 1s7a h LYS 41 Cb 0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1s7a h LYS 41 CO -0.11 0.46 0.00 -0.11 -1.08 0.00 0.00 179.45 178.61 1s7a n LEU 42 N -3.47 0.00 0.00 2.94 7.94 -0.32 -4.67 117.00 119.41 1s7a n LEU 42 Ca 0.00 0.62 0.00 0.00 -1.11 0.00 0.00 56.01 55.53 1s7a n LEU 42 Cb 0.59 -0.12 0.00 0.00 0.53 0.00 0.00 43.42 44.42 1s7a n LEU 42 CO 0.38 -0.12 0.00 -0.67 -1.11 0.00 0.00 177.39 175.87 1s7a n ASP 43 N -1.32 0.00 -1.04 1.96 2.03 -1.25 -4.90 116.55 112.03 1s7a n ASP 43 Ca 0.00 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.38 1s7a n ASP 43 Cb 0.00 0.00 0.27 0.00 -0.72 0.00 0.00 41.12 40.67 1s7a n ASP 43 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1s7a n GLU 44 N 0.00 3.06 0.00 -0.67 -0.58 -1.26 -4.88 120.64 116.32 1s7a n GLU 44 Ca 0.00 -2.91 0.00 0.00 -0.42 0.00 0.00 57.16 53.83 1s7a n GLU 44 Cb 0.00 -1.90 0.00 0.00 -0.57 0.00 0.00 31.44 28.97 1s7a n GLU 44 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s7a n GLY 45 N -0.44 2.13 3.63 0.62 0.00 0.19 -4.96 105.19 106.36 1s7a n GLY 45 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.35 1.45 -0.06 1.61 0.52 -1.26 -4.44 118.94 114.41 1s7a s TRP 46 Ca 0.00 0.18 -0.00 0.00 0.02 0.00 0.00 56.10 56.30 1s7a s TRP 46 Cb 0.00 -4.06 -0.03 0.00 -1.15 0.00 0.00 33.47 28.23 1s7a s TRP 46 CO 0.00 -4.32 -0.01 0.54 0.02 0.00 0.00 176.95 173.18 1s7a s VAL 47 N 6.12 4.18 0.25 4.03 0.11 0.34 -4.80 120.40 130.63 1s7a s VAL 47 Ca 0.89 -0.38 -0.11 0.00 -2.93 0.00 0.00 61.98 59.44 1s7a s VAL 47 Cb -0.34 -2.78 -0.08 0.00 -1.53 0.00 0.00 36.38 31.65 1s7a s VAL 47 CO 0.36 0.54 0.60 -2.16 -3.33 0.00 0.00 175.10 171.10 1s7a s PRO 48 N -1.07 3.86 0.00 1.54 0.04 -1.26 0.16 135.00 138.26 1s7a s PRO 48 Ca 0.15 0.38 0.09 0.00 0.04 0.00 0.00 61.00 61.66 1s7a s PRO 48 Cb -0.11 -2.60 0.49 0.00 0.04 0.00 0.00 34.50 32.32 1s7a s PRO 48 CO 0.04 0.28 1.02 1.28 0.04 0.00 0.00 177.00 179.66 1s7a n LEU 49 N -0.16 0.00 0.04 -3.56 4.77 -1.14 -2.14 117.00 114.82 1s7a n LEU 49 Ca 0.01 0.08 -0.05 0.00 -0.03 0.00 0.00 56.01 56.01 1s7a n LEU 49 Cb 0.53 -0.08 0.14 0.00 -2.33 0.00 0.00 43.42 41.68 1s7a n LEU 49 CO 0.44 -0.06 0.59 1.05 -1.33 0.00 0.00 177.39 178.09 1s7a h GLU 50 N 0.00 0.42 -0.01 3.23 4.11 -1.92 0.76 114.58 121.16 1s7a h GLU 50 Ca 0.00 -0.22 -0.24 0.00 0.07 0.00 0.00 59.36 58.97 1s7a h GLU 50 Cb 0.02 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.29 1s7a h GLU 50 CO 0.00 0.78 -0.96 0.82 0.07 0.00 0.00 179.01 179.72 1s7a h ILE 51 N 0.34 1.35 0.09 -1.06 5.03 -1.84 -2.87 117.51 118.55 1s7a h ILE 51 Ca 0.03 -2.33 -0.18 0.00 -0.12 0.00 0.00 64.86 62.26 1s7a h ILE 51 Cb 0.91 2.36 0.02 0.00 -3.03 0.00 0.00 36.82 37.07 1s7a h ILE 51 CO 0.08 0.71 -0.75 0.24 -0.68 0.00 0.00 178.15 177.74 1s7a h MET 52 N 0.31 0.35 0.00 2.37 2.86 -1.60 -2.64 114.93 116.58 1s7a h MET 52 Ca -0.09 -0.50 0.00 0.00 -2.06 0.00 0.00 59.70 57.05 1s7a h MET 52 Cb 1.59 0.17 0.00 0.00 0.06 0.00 0.00 31.60 33.42 1s7a h MET 52 CO 0.18 1.20 0.00 0.44 1.06 0.00 0.00 176.91 179.78 1s7a n ILE 53 N -4.15 0.00 0.06 -1.22 -6.64 0.26 -2.77 119.36 104.90 1s7a n ILE 53 Ca -0.13 0.00 0.01 0.00 -1.77 0.00 0.00 62.75 60.86 1s7a n ILE 53 Cb 0.78 -0.50 -0.01 0.00 -1.44 0.00 0.00 39.64 38.46 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 -0.88 3.82 -2.08 6.28 4.81 -1.08 -4.18 118.16 124.85 1s7a n LYS 54 Ca 0.14 -0.01 -0.41 0.00 -0.87 0.00 0.00 58.31 57.17 1s7a n LYS 54 Cb 0.06 -0.78 -0.02 0.00 0.02 0.00 0.00 35.03 34.32 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 -1.57 2.98 0.64 5.64 0.40 -1.00 -4.66 117.98 120.42 1s7a s PHE 55 Ca 0.00 1.39 0.34 0.00 -0.60 0.00 0.00 56.93 58.07 1s7a s PHE 55 Cb 0.01 -3.71 1.91 0.00 0.51 0.00 0.00 43.02 41.74 1s7a s PHE 55 CO 0.08 -1.99 2.13 -0.97 0.70 0.00 0.00 175.22 175.16 1s7a h ASN 56 N 3.26 0.00 -0.05 1.36 -1.24 -1.92 0.74 115.58 117.74 1s7a h ASN 56 Ca -0.49 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 56.39 1s7a h ASN 56 Cb 1.23 0.00 0.01 0.00 0.73 0.00 0.00 38.32 40.29 1s7a h ASN 56 CO 0.65 0.00 -0.46 0.03 -1.29 0.00 0.00 177.43 176.36 1s7a h ARG 57 N 0.00 0.39 0.00 6.67 2.47 -1.91 -3.30 114.38 118.70 1s7a h ARG 57 Ca 0.03 -0.36 -0.35 0.00 -1.26 0.00 0.00 59.98 58.04 1s7a h ARG 57 Cb 0.40 0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 28.74 1s7a h ARG 57 CO -0.00 1.02 -2.34 -0.11 0.56 0.00 0.00 179.97 179.10 1s7a n LEU 58 N -4.31 2.15 0.27 3.04 7.94 -0.78 -4.31 117.00 120.99 1s7a n LEU 58 Ca -0.09 -0.09 0.18 0.00 -1.11 0.00 0.00 56.01 54.90 1s7a n LEU 58 Cb 0.59 -0.47 0.90 0.00 0.53 0.00 0.00 43.42 44.96 1s7a n LEU 58 CO 0.44 0.78 1.15 -0.55 -1.11 0.00 0.00 177.39 178.10 1s7a h ASN 59 N 0.00 0.00 0.28 1.96 -1.07 0.36 0.25 115.58 117.36 1s7a h ASN 59 Ca -0.52 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.85 1s7a h ASN 59 Cb 1.92 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 38.17 1s7a h ASN 59 CO -0.05 0.00 0.00 -1.14 0.07 0.00 0.00 177.43 176.31 1s7a n ARG 60 N -3.26 0.16 0.00 4.14 0.00 -1.24 -4.72 116.66 111.73 1s7a n ARG 60 Ca -0.00 0.17 0.00 0.00 -0.00 0.00 0.00 57.85 58.02 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 -1.32 0.00 -4.70 6.15 4.77 0.87 -5.08 117.00 117.69 1s7a n LEU 61 Ca 0.06 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.61 1s7a n LEU 61 Cb 0.11 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1s7a n LEU 61 CO 0.11 0.00 1.12 0.41 -1.33 0.00 0.00 177.39 177.69 1s7a n THR 62 N 0.00 0.99 -1.07 -5.08 -1.04 -1.26 -4.86 114.28 101.97 1s7a n THR 62 Ca 0.00 -0.25 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1s7a n THR 62 Cb 0.00 -1.69 0.00 0.00 -1.82 0.00 0.00 70.33 66.82 1s7a n THR 62 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1s7a n THR 63 N 2.00 0.00 -2.77 12.58 -2.24 -1.26 -4.58 114.28 118.01 1s7a n THR 63 Ca 0.10 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.46 1s7a n THR 63 Cb 0.34 0.94 -0.04 0.00 -2.10 0.00 0.00 70.33 69.47 1s7a n THR 63 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1s7a s ASP 64 N -0.01 6.26 0.30 3.42 1.01 -1.26 -4.89 116.67 121.51 1s7a s ASP 64 Ca 0.00 -0.53 0.17 0.00 0.71 0.00 0.00 52.55 52.90 1s7a s ASP 64 Cb 0.00 -2.46 1.09 0.00 1.01 0.00 0.00 42.92 42.55 1s7a s ASP 64 CO 0.00 -1.43 1.27 0.49 0.21 0.00 0.00 175.17 175.71 1s7a n PHE 65 N 7.98 0.92 -0.06 4.23 3.72 -1.26 0.18 117.46 133.17 1s7a n PHE 65 Ca 0.01 0.93 -0.15 0.00 -0.05 0.00 0.00 57.45 58.19 1s7a n PHE 65 Cb 0.47 -1.35 -0.07 0.00 -0.94 0.00 0.00 39.48 37.59 1s7a n PHE 65 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1s7a h ASN 66 N 0.00 0.67 -0.17 4.37 4.21 -1.96 -1.77 115.58 120.93 1s7a h ASN 66 Ca 0.68 -0.56 -0.13 0.00 1.21 0.00 0.00 56.30 57.51 1s7a h ASN 66 Cb 1.83 -0.19 0.00 0.00 -1.12 0.00 0.00 38.32 38.83 1s7a h ASN 66 CO -0.61 1.11 -0.40 0.58 -1.29 0.00 0.00 177.43 176.82 1s7a h VAL 67 N 0.27 1.34 -0.29 2.81 2.07 0.14 -1.85 116.25 120.74 1s7a h VAL 67 Ca 0.00 -1.65 -0.01 0.00 0.82 0.00 0.00 66.70 65.86 1s7a h VAL 67 Cb 1.00 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1s7a h VAL 67 CO 0.09 0.51 0.13 -0.29 0.02 0.00 0.00 177.57 178.02 1s7a h ILE 68 N 0.22 1.17 -0.28 4.57 -0.00 -0.21 -2.29 117.51 120.68 1s7a h ILE 68 Ca -0.00 -0.49 -0.09 0.00 -0.00 0.00 0.00 64.86 64.28 1s7a h ILE 68 Cb 1.01 0.95 -0.01 0.00 -0.00 0.00 0.00 36.82 38.77 1s7a h ILE 68 CO 0.09 0.17 -0.20 -0.37 -0.00 0.00 0.00 178.15 177.83 1s7a h VAL 69 N 0.33 1.25 -0.84 2.19 -1.51 -1.37 -2.85 116.25 113.45 1s7a h VAL 69 Ca 0.10 -1.19 -0.03 0.00 -1.23 0.00 0.00 66.70 64.35 1s7a h VAL 69 Cb 0.15 1.27 -0.04 0.00 -2.13 0.00 0.00 31.29 30.54 1s7a h VAL 69 CO -0.01 0.38 0.42 -0.08 -1.23 0.00 0.00 177.57 177.06 1s7a h GLU 70 N 0.46 1.20 0.12 5.19 4.22 -1.01 0.43 114.58 125.19 1s7a h GLU 70 Ca 0.07 -0.17 -0.01 0.00 0.08 0.00 0.00 59.36 59.34 1s7a h GLU 70 Cb 0.61 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1s7a h GLU 70 CO 0.04 0.91 -0.06 0.00 -2.18 0.00 0.00 179.01 177.73 1s7a h ALA 71 N 1.23 -0.16 0.00 2.92 0.00 -1.20 -2.06 119.26 119.99 1s7a h ALA 71 Ca 0.29 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1s7a h ALA 71 Cb 0.09 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1s7a h ALA 71 CO -0.04 -0.46 -0.43 1.37 0.00 0.00 0.00 179.25 179.69 1s7a h LEU 72 N -0.43 0.00 -0.72 0.00 8.10 -1.40 0.54 115.31 121.39 1s7a h LEU 72 Ca -0.02 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.88 1s7a h LEU 72 Cb 0.35 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.55 1s7a h LEU 72 CO 0.03 0.43 -0.03 -1.28 -4.11 0.00 0.00 178.44 173.49 1s7a h SER 73 N 0.00 0.94 0.91 0.17 0.87 0.01 -3.00 113.55 113.45 1s7a h SER 73 Ca -0.00 -0.26 -0.03 0.00 -1.23 0.00 0.00 61.79 60.26 1s7a h SER 73 Cb 0.82 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 1s7a h SER 73 CO 0.06 1.01 -1.11 0.29 -0.53 0.00 0.00 176.83 176.55 1s7a n LYS 74 N -4.18 0.61 -1.07 2.24 4.76 -0.79 -4.94 118.16 114.80 1s7a n LYS 74 Ca 0.03 0.13 -0.34 0.00 -2.87 0.00 0.00 58.31 55.25 1s7a n LYS 74 Cb 0.34 -1.81 0.11 0.00 -1.84 0.00 0.00 35.03 31.83 1s7a n LYS 74 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1s7a n SER 75 N -2.70 -0.39 -0.00 4.39 3.41 0.16 -4.94 113.62 113.56 1s7a n SER 75 Ca -0.02 0.52 0.04 0.00 -0.26 0.00 0.00 58.87 59.15 1s7a n SER 75 Cb 0.60 -1.35 -0.04 0.00 -0.26 0.00 0.00 64.21 63.16 1s7a n SER 75 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1s7a n LYS 76 N -2.16 4.24 -0.36 4.33 4.01 -1.26 -4.47 118.16 122.50 1s7a n LYS 76 Ca 0.11 -0.00 0.05 0.00 -0.51 0.00 0.00 58.31 57.95 1s7a n LYS 76 Cb 0.51 -0.88 0.20 0.00 -0.51 0.00 0.00 35.03 34.35 1s7a n LYS 76 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1s7a n ALA 77 N -1.22 2.89 -1.52 7.82 0.00 -1.26 -4.88 120.51 122.35 1s7a n ALA 77 Ca 0.01 -0.88 -0.20 0.00 0.00 0.00 0.00 53.44 52.37 1s7a n ALA 77 Cb 0.12 -1.02 -0.18 0.00 0.00 0.00 0.00 19.45 18.36 1s7a n ALA 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1s7a n GLU 78 N 0.47 0.16 0.12 0.00 1.02 -1.26 -4.69 120.64 116.46 1s7a n GLU 78 Ca 0.14 -0.23 -0.03 0.00 -0.02 0.00 0.00 57.16 57.03 1s7a n GLU 78 Cb 0.57 -1.76 0.14 0.00 -0.02 0.00 0.00 31.44 30.38 1s7a n GLU 78 CO 0.00 0.00 0.00 1.37 1.18 0.00 0.00 177.13 179.68 1s7a h LEU 79 N 14.20 0.08 0.00 -4.62 8.10 -1.96 -3.45 115.31 127.66 1s7a h LEU 79 Ca 0.02 -0.05 0.00 0.00 0.11 0.00 0.00 57.88 57.97 1s7a h LEU 79 Cb 1.10 -0.02 0.00 0.00 -0.44 0.00 0.00 40.66 41.30 1s7a h LEU 79 CO 1.45 0.70 0.00 0.23 -4.11 0.00 0.00 178.44 176.71 1s7a n MET 80 N -3.80 2.27 -4.38 0.17 2.81 -1.26 -4.76 117.12 108.16 1s7a n MET 80 Ca -0.02 0.00 -0.20 0.00 -1.81 0.00 0.00 57.70 55.67 1s7a n MET 80 Cb 0.64 0.00 -0.16 0.00 -0.71 0.00 0.00 33.22 32.99 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 0.72 0.98 -0.05 0.03 0.41 -0.76 -4.96 118.70 115.08 1s7a s GLU 81 Ca 0.00 -0.29 -0.03 0.00 -0.41 0.00 0.00 54.97 54.24 1s7a s GLU 81 Cb 0.00 -0.91 -0.04 0.00 -1.78 0.00 0.00 34.13 31.40 1s7a s GLU 81 CO 0.00 0.10 0.10 0.42 -0.49 0.00 0.00 175.26 175.38 1s7a s ILE 82 N 0.26 4.96 0.00 -1.63 1.09 -1.26 -0.96 121.20 123.66 1s7a s ILE 82 Ca -0.04 -0.19 0.00 0.00 -1.10 0.00 0.00 60.65 59.32 1s7a s ILE 82 Cb -0.09 -3.22 0.00 0.00 -1.06 0.00 0.00 42.46 38.09 1s7a s ILE 82 CO 0.01 0.46 0.00 -1.20 -0.10 0.00 0.00 174.94 174.10 1s7a n SER 83 N 1.50 -1.25 0.06 3.58 7.64 -1.20 -4.88 113.62 119.08 1s7a n SER 83 Ca -0.15 -0.13 0.13 0.00 1.01 0.00 0.00 58.87 59.72 1s7a n SER 83 Cb 0.53 0.00 0.36 0.00 -1.01 0.00 0.00 64.21 64.09 1s7a n SER 83 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1s7a n GLU 84 N -1.38 0.20 0.07 1.43 -0.58 -1.26 -3.52 120.64 115.59 1s7a n GLU 84 Ca 0.00 0.12 0.13 0.00 -0.42 0.00 0.00 57.16 56.99 1s7a n GLU 84 Cb 0.00 -1.69 0.35 0.00 -0.57 0.00 0.00 31.44 29.53 1s7a n GLU 84 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1s7a n ASP 85 N -2.01 0.63 0.00 1.62 8.00 -1.26 -4.90 116.55 118.63 1s7a n ASP 85 Ca 0.05 0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.89 1s7a n ASP 85 Cb 0.41 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 1s7a n ASP 85 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1s7a n LYS 86 N -2.03 -1.07 -0.57 -1.24 4.81 -1.23 -4.79 118.16 112.04 1s7a n LYS 86 Ca 0.05 0.27 0.03 0.00 -0.87 0.00 0.00 58.31 57.78 1s7a n LYS 86 Cb 0.41 -4.27 0.21 0.00 0.02 0.00 0.00 35.03 31.40 1s7a n LYS 86 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1s7a n THR 87 N -2.24 2.34 -3.46 3.15 5.66 -1.26 -4.74 114.28 113.73 1s7a n THR 87 Ca 0.00 -2.54 -0.13 0.00 -3.05 0.00 0.00 64.05 58.33 1s7a n THR 87 Cb 0.27 -0.28 -0.03 0.00 -1.55 0.00 0.00 70.33 68.73 1s7a n THR 87 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1s7a s LYS 88 N -3.09 1.13 0.07 1.09 -2.85 -1.26 -2.86 119.74 111.96 1s7a s LYS 88 Ca 0.41 -0.23 -0.01 0.00 -1.00 0.00 0.00 55.97 55.14 1s7a s LYS 88 Cb 0.37 0.52 -0.04 0.00 -2.06 0.00 0.00 37.83 36.62 1s7a s LYS 88 CO 0.01 -0.46 -0.02 0.96 0.10 0.00 0.00 175.35 175.95 1s7a s ILE 89 N -2.88 0.24 0.09 3.79 -4.36 0.41 -3.21 121.20 115.28 1s7a s ILE 89 Ca -0.02 -1.84 -0.13 0.00 -0.26 0.00 0.00 60.65 58.40 1s7a s ILE 89 Cb -0.01 -1.63 0.02 0.00 1.25 0.00 0.00 42.46 42.09 1s7a s ILE 89 CO -0.06 -0.89 0.31 -0.60 0.24 0.00 0.00 174.94 173.94 1s7a s ARG 90 N -3.94 0.94 0.04 0.37 3.52 -0.13 0.13 118.95 119.87 1s7a s ARG 90 Ca 0.10 -0.73 -0.22 0.00 -0.13 0.00 0.00 55.73 54.76 1s7a s ARG 90 Cb 0.08 0.40 -0.06 0.00 -1.56 0.00 0.00 34.95 33.81 1s7a s ARG 90 CO -0.07 -0.33 0.64 0.50 -0.81 0.00 0.00 175.30 175.22 1s7a s ARG 91 N -3.52 4.35 -0.36 5.12 3.52 -1.26 -1.83 118.95 124.98 1s7a s ARG 91 Ca 0.02 0.84 -0.28 0.00 -0.13 0.00 0.00 55.73 56.18 1s7a s ARG 91 Cb 0.02 -3.32 -0.03 0.00 -1.56 0.00 0.00 34.95 30.06 1s7a s ARG 91 CO -0.10 0.42 2.01 -1.12 -0.81 0.00 0.00 175.30 175.70 1s7a s SER 92 N -0.43 5.49 0.62 -2.12 0.01 -1.26 -4.77 113.70 111.23 1s7a s SER 92 Ca 0.33 1.31 0.40 0.00 1.31 0.00 0.00 55.95 59.29 1s7a s SER 92 Cb -0.19 -2.52 1.97 0.00 0.21 0.00 0.00 66.02 65.48 1s7a s SER 92 CO 0.20 -2.03 2.21 1.55 0.41 0.00 0.00 173.24 175.57 1s7a h PRO 93 N 14.68 0.00 0.00 12.44 0.13 -1.96 0.31 132.00 157.60 1s7a h PRO 93 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1s7a h PRO 93 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1s7a h PRO 93 CO 1.05 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 179.26 1s7a n SER 94 N -3.10 0.00 -4.19 1.44 7.64 -1.26 -4.65 113.62 109.50 1s7a n SER 94 Ca -0.01 -0.45 -0.33 0.00 1.01 0.00 0.00 58.87 59.09 1s7a n SER 94 Cb 0.17 -0.18 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 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 -2.35 3.06 0.50 1.43 2.20 0.10 -5.10 119.74 119.57 1s7a s LYS 95 Ca 0.35 -0.83 -0.22 0.00 -0.36 0.00 0.00 55.97 54.91 1s7a s LYS 95 Cb 0.20 -2.49 -0.06 0.00 -1.51 0.00 0.00 37.83 33.97 1s7a s LYS 95 CO 0.41 -0.02 1.18 -1.25 -0.36 0.00 0.00 175.35 175.31 1s7a s PRO 96 N 0.84 3.54 -0.18 4.03 0.04 -1.26 -4.84 135.00 137.18 1s7a s PRO 96 Ca -0.06 1.78 0.01 0.00 0.04 0.00 0.00 61.00 62.76 1s7a s PRO 96 Cb -0.15 -2.25 0.03 0.00 0.04 0.00 0.00 34.50 32.16 1s7a s PRO 96 CO -0.02 -0.74 -0.12 -0.48 0.04 0.00 0.00 177.00 175.68 1s7a s LEU 97 N -3.35 2.00 0.36 -3.56 0.05 -1.26 -5.11 118.68 107.82 1s7a s LEU 97 Ca 0.68 -0.70 -0.07 0.00 0.05 0.00 0.00 54.13 54.09 1s7a s LEU 97 Cb -0.29 -1.22 -0.05 0.00 -2.05 0.00 0.00 46.19 42.59 1s7a s LEU 97 CO 0.34 -0.10 0.67 -2.16 -0.55 0.00 0.00 176.35 174.55 1s7a s PRO 98 N 1.43 3.67 0.10 1.48 0.04 -1.26 -4.92 135.00 135.54 1s7a s PRO 98 Ca 0.02 0.19 0.09 0.00 0.04 0.00 0.00 61.00 61.33 1s7a s PRO 98 Cb -0.15 -2.51 -0.04 0.00 0.04 0.00 0.00 34.50 31.84 1s7a s PRO 98 CO -0.09 0.05 -0.19 -2.00 0.04 0.00 0.00 177.00 174.81 1s7a s GLU 99 N -3.88 1.81 -0.12 4.56 2.12 -1.26 -4.67 118.70 117.24 1s7a s GLU 99 Ca 0.47 -1.15 -0.16 0.00 0.36 0.00 0.00 54.97 54.49 1s7a s GLU 99 Cb -0.10 -2.11 -0.05 0.00 0.26 0.00 0.00 34.13 32.13 1s7a s GLU 99 CO 0.33 0.49 0.38 0.14 -0.54 0.00 0.00 175.26 176.06 1s7a s VAL 100 N -1.09 5.23 -0.10 3.70 -7.23 -1.26 -5.07 120.40 114.58 1s7a s VAL 100 Ca 0.17 0.75 -0.02 0.00 -1.81 0.00 0.00 61.98 61.07 1s7a s VAL 100 Cb -0.10 -3.72 -0.03 0.00 0.56 0.00 0.00 36.38 33.08 1s7a s VAL 100 CO 0.09 0.38 0.00 0.42 -0.31 0.00 0.00 175.10 175.68 1s7a s THR 101 N 0.36 4.31 -0.34 5.32 -4.23 -1.26 -5.08 115.64 114.71 1s7a s THR 101 Ca 0.21 -0.24 -0.16 0.00 -1.18 0.00 0.00 61.69 60.32 1s7a s THR 101 Cb -0.14 -2.82 -0.01 0.00 1.34 0.00 0.00 72.50 70.86 1s7a s THR 101 CO 0.08 0.59 0.39 1.51 -0.54 0.00 0.00 174.62 176.65 1s7a s ASP 102 N -0.73 6.20 0.00 3.99 -4.77 -1.26 -5.36 116.67 114.74 1s7a s ASP 102 Ca 0.11 -0.19 0.20 0.00 -3.30 0.00 0.00 52.55 49.37 1s7a s ASP 102 Cb -0.12 -2.21 1.20 0.00 -1.09 0.00 0.00 42.92 40.70 1s7a s ASP 102 CO 0.02 -0.36 1.59 -1.84 0.70 0.00 0.00 175.17 175.27