#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 0.00 -1.42 -5.12 0.00 -1.26 -4.92 120.51 107.79 1s7a n ALA 2 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 1s7a n ALA 2 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1s7a n ALA 2 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1s7a n GLU 3 N -0.22 -3.17 0.02 0.00 2.13 -1.26 -4.12 120.64 114.02 1s7a n GLU 3 Ca 0.00 2.48 0.10 0.00 0.66 0.00 0.00 57.16 60.40 1s7a n GLU 3 Cb 0.00 -3.74 0.54 0.00 0.27 0.00 0.00 31.44 28.50 1s7a n GLU 3 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 1s7a h ASN 4 N -1.38 0.27 0.00 4.31 -0.73 -2.09 -3.47 115.58 112.49 1s7a h ASN 4 Ca -0.14 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.03 1s7a h ASN 4 Cb 1.34 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.88 1s7a h ASN 4 CO 0.06 0.18 0.00 0.61 -0.37 0.00 0.00 177.43 177.91 1s7a n GLY 5 N -1.53 -0.18 1.45 1.57 0.00 -1.26 -5.14 105.19 100.11 1s7a n GLY 5 Ca 0.05 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 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 0.00 -0.06 -0.08 1.61 9.92 -1.26 -4.99 116.55 121.68 1s7a n ASP 6 Ca 0.00 -1.15 -0.16 0.00 -0.53 0.00 0.00 54.79 52.95 1s7a n ASP 6 Cb 0.00 -0.38 -0.06 0.00 -0.64 0.00 0.00 41.12 40.04 1s7a n ASP 6 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1s7a n ASN 7 N -3.35 1.50 -0.03 -2.24 5.15 -1.26 -4.36 115.26 110.68 1s7a n ASN 7 Ca 0.06 0.14 -0.12 0.00 -0.60 0.00 0.00 54.58 54.06 1s7a n ASN 7 Cb 0.22 -0.42 -0.06 0.00 -0.53 0.00 0.00 39.78 38.98 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 -0.45 0.18 -0.52 1.20 4.22 -2.02 -2.56 114.58 114.62 1s7a h GLU 8 Ca -0.40 -0.04 0.15 0.00 0.08 0.00 0.00 59.36 59.15 1s7a h GLU 8 Cb 1.40 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.60 1s7a h GLU 8 CO -0.21 0.35 0.37 -0.22 -2.18 0.00 0.00 179.01 177.13 1s7a h LYS 9 N -0.03 0.01 -0.71 1.92 3.64 -2.00 -0.04 116.57 119.35 1s7a h LYS 9 Ca 0.03 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1s7a h LYS 9 Cb 0.26 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 1s7a h LYS 9 CO 0.00 0.01 0.47 0.52 -2.27 0.00 0.00 179.45 178.18 1s7a h MET 10 N 0.01 0.89 -0.11 1.90 2.86 -1.65 -1.55 114.93 117.27 1s7a h MET 10 Ca 0.25 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.85 1s7a h MET 10 Cb 0.97 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 1s7a h MET 10 CO -0.01 0.59 0.02 0.00 1.06 0.00 0.00 176.91 178.58 1s7a h ALA 11 N 1.57 0.11 -0.18 6.32 0.00 -1.04 -1.75 119.26 124.29 1s7a h ALA 11 Ca 0.27 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 1s7a h ALA 11 Cb -0.03 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1s7a h ALA 11 CO -0.07 -0.44 -0.12 0.00 0.00 0.00 0.00 179.25 178.63 1s7a h ALA 12 N 1.08 1.47 -0.79 0.00 0.00 -1.50 -2.45 119.26 117.07 1s7a h ALA 12 Ca 0.05 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1s7a h ALA 12 Cb 0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1s7a h ALA 12 CO -0.07 0.37 0.52 1.25 0.00 0.00 0.00 179.25 181.33 1s7a h LEU 13 N 0.28 0.89 -0.19 0.00 6.46 -0.42 -0.73 115.31 121.60 1s7a h LEU 13 Ca 0.06 -0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.74 1s7a h LEU 13 Cb 0.38 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 40.08 1s7a h LEU 13 CO 0.02 0.64 -0.09 -0.33 -0.62 0.00 0.00 178.44 178.06 1s7a h GLU 14 N 1.05 0.39 -0.62 1.25 4.39 -0.98 -2.03 114.58 118.04 1s7a h GLU 14 Ca 0.29 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1s7a h GLU 14 Cb -0.09 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 1s7a h GLU 14 CO -0.07 0.69 0.40 0.00 -1.16 0.00 0.00 179.01 178.86 1s7a h ALA 15 N 0.69 1.53 -0.37 3.43 0.00 -1.32 -2.15 119.26 121.08 1s7a h ALA 15 Ca 0.04 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1s7a h ALA 15 Cb 0.57 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1s7a h ALA 15 CO 0.03 0.42 -0.40 0.87 0.00 0.00 0.00 179.25 180.17 1s7a h LYS 16 N 0.84 0.91 -0.72 0.00 1.57 -1.00 -2.99 116.57 115.18 1s7a h LYS 16 Ca 0.23 -0.49 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 1s7a h LYS 16 Cb -0.07 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1s7a h LYS 16 CO -0.05 1.14 0.39 0.82 -0.57 0.00 0.00 179.45 181.18 1s7a h ILE 17 N 0.74 1.22 -0.90 1.86 2.04 -0.75 -2.37 117.51 119.34 1s7a h ILE 17 Ca 0.06 -0.57 0.03 0.00 1.00 0.00 0.00 64.86 65.37 1s7a h ILE 17 Cb 0.99 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 1s7a h ILE 17 CO 0.10 0.25 0.59 0.00 0.00 0.00 0.00 178.15 179.08 1s7a h HIS 19 N 1.16 0.80 -0.13 0.00 3.86 -1.29 -1.47 115.15 118.07 1s7a h HIS 19 Ca 0.35 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.57 1s7a h HIS 19 Cb -0.04 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.16 1s7a h HIS 19 CO -0.01 0.52 0.05 1.96 0.86 0.00 0.00 177.93 181.31 1s7a h GLN 20 N 0.85 0.19 -0.66 2.45 7.50 -0.97 -1.53 115.11 122.94 1s7a h GLN 20 Ca 0.23 -0.03 0.06 0.00 0.50 0.00 0.00 58.65 59.41 1s7a h GLN 20 Cb -0.07 -0.03 -0.04 0.00 0.05 0.00 0.00 27.48 27.39 1s7a h GLN 20 CO -0.05 0.28 0.44 0.82 -1.50 0.00 0.00 178.83 178.81 1s7a h ILE 21 N 0.05 1.01 -0.43 2.54 1.08 -1.12 0.18 117.51 120.82 1s7a h ILE 21 Ca 0.04 -0.23 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 1s7a h ILE 21 Cb 0.16 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 34.17 1s7a h ILE 21 CO -0.00 0.12 0.22 -0.08 -0.69 0.00 0.00 178.15 177.72 1s7a h GLU 22 N 0.67 0.59 -0.51 2.37 4.81 -0.37 -1.43 114.58 120.71 1s7a h GLU 22 Ca 0.28 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1s7a h GLU 22 Cb 0.26 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1s7a h GLU 22 CO -0.09 0.45 0.29 -0.92 -0.73 0.00 0.00 179.01 178.02 1s7a h TYR 23 N 0.60 0.68 0.09 0.92 3.20 0.30 6.65 116.97 129.41 1s7a h TYR 23 Ca 0.15 -0.01 -0.27 0.00 3.14 0.00 0.00 58.73 61.74 1s7a h TYR 23 Cb 0.04 -0.22 0.02 0.00 1.54 0.00 0.00 36.73 38.11 1s7a h TYR 23 CO 0.00 0.48 -1.16 1.88 -1.64 0.00 0.00 178.16 177.72 1s7a h TYR 24 N 0.67 0.78 0.00 -3.82 0.05 -1.42 -3.18 116.97 110.05 1s7a h TYR 24 Ca 0.18 -0.49 0.00 0.00 0.05 0.00 0.00 58.73 58.47 1s7a h TYR 24 Cb 0.01 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.69 1s7a h TYR 24 CO -0.02 1.34 -1.34 1.19 -1.05 0.00 0.00 178.16 178.28 1s7a n PHE 25 N -3.72 0.00 0.00 4.88 3.72 -0.57 -2.26 117.46 119.51 1s7a n PHE 25 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1s7a n PHE 25 Cb 0.95 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 39.27 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 1.53 0.43 4.79 1.37 0.00 2.14 -4.44 105.19 111.02 1s7a n GLY 26 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 1.92 0.00 -0.05 1.61 8.00 -1.26 -4.58 116.55 122.19 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 -0.14 -0.13 0.00 -0.02 0.00 0.00 41.12 40.83 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 0.09 -0.05 1.24 3.57 -1.82 -3.34 116.94 116.63 1s7a h PHE 28 Ca 0.00 -0.07 -0.17 0.00 3.53 0.00 0.00 57.97 61.27 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 1.06 -0.69 -0.91 -2.23 0.00 0.00 178.31 175.54 1s7a h ASN 29 N -0.89 0.31 -0.11 0.41 4.21 -1.65 -3.30 115.58 114.56 1s7a h ASN 29 Ca -0.03 -0.20 0.03 0.00 1.21 0.00 0.00 56.30 57.31 1s7a h ASN 29 Cb 1.11 -0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 38.20 1s7a h ASN 29 CO 0.02 0.91 -0.05 -0.07 -1.29 0.00 0.00 177.43 176.95 1s7a h LEU 30 N 0.18 -0.17 -1.14 1.61 3.38 -1.61 2.94 115.31 120.49 1s7a h LEU 30 Ca -0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1s7a h LEU 30 Cb 1.24 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1s7a h LEU 30 CO 0.11 -0.07 0.03 -2.65 0.09 0.00 0.00 178.44 175.95 1s7a n PRO 31 N -5.18 0.11 -2.72 1.13 -0.02 -1.24 -2.68 135.00 124.40 1s7a n PRO 31 Ca -0.04 0.61 -0.04 0.00 -2.02 0.00 0.00 63.50 62.00 1s7a n PRO 31 Cb 0.11 -1.90 0.09 0.00 -0.02 0.00 0.00 33.50 31.78 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 -2.11 1.36 -3.38 -0.52 5.12 0.13 -5.06 116.66 112.20 1s7a n ARG 32 Ca -0.01 -2.35 -0.45 0.00 -1.93 0.00 0.00 57.85 53.12 1s7a n ARG 32 Cb 0.06 -0.53 -0.05 0.00 -1.16 0.00 0.00 32.46 30.77 1s7a n ARG 32 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1s7a s ASP 33 N -2.20 6.17 0.02 0.55 1.11 0.96 -4.89 116.67 118.39 1s7a s ASP 33 Ca 0.21 -2.06 -0.19 0.00 0.18 0.00 0.00 52.55 50.68 1s7a s ASP 33 Cb 0.41 -2.15 -0.22 0.00 1.07 0.00 0.00 42.92 42.02 1s7a s ASP 33 CO -0.06 -0.74 1.13 0.11 1.18 0.00 0.00 175.17 176.79 1s7a h LYS 34 N 8.47 0.45 -0.01 8.23 1.79 -1.92 -2.54 116.57 131.04 1s7a h LYS 34 Ca -0.18 -0.45 -0.12 0.00 -2.18 0.00 0.00 60.65 57.72 1s7a h LYS 34 Cb 1.07 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.83 1s7a h LYS 34 CO 0.93 1.10 -0.57 0.27 -1.08 0.00 0.00 179.45 180.10 1s7a h PHE 35 N -0.03 0.03 -0.04 -1.35 -5.15 -1.98 -2.84 116.94 105.58 1s7a h PHE 35 Ca -0.07 -0.01 -0.24 0.00 -0.20 0.00 0.00 57.97 57.45 1s7a h PHE 35 Cb 1.29 -0.01 0.01 0.00 0.22 0.00 0.00 35.95 37.46 1s7a h PHE 35 CO 0.14 0.59 -0.93 1.25 -2.00 0.00 0.00 178.31 177.35 1s7a h LEU 36 N 0.02 0.80 -0.85 2.10 7.12 -1.96 -2.86 115.31 119.67 1s7a h LEU 36 Ca -0.01 -0.60 -0.07 0.00 0.13 0.00 0.00 57.88 57.34 1s7a h LEU 36 Cb 1.01 -0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 40.88 1s7a h LEU 36 CO 0.08 1.39 0.08 0.07 -0.13 0.00 0.00 178.44 179.93 1s7a h LYS 37 N 0.38 0.93 -0.20 1.25 2.10 -1.42 0.53 116.57 120.15 1s7a h LYS 37 Ca -0.09 -0.23 -0.00 0.00 -2.00 0.00 0.00 60.65 58.32 1s7a h LYS 37 Cb 1.57 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.77 1s7a h LYS 37 CO 0.18 0.87 0.11 0.93 -2.00 0.00 0.00 179.45 179.55 1s7a h GLU 38 N 0.88 0.27 -0.21 0.07 4.39 -1.50 0.52 114.58 119.00 1s7a h GLU 38 Ca 0.18 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.71 1s7a h GLU 38 Cb 0.41 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1s7a h GLU 38 CO 0.01 0.24 -0.42 1.96 -1.16 0.00 0.00 179.01 179.64 1s7a h GLN 39 N 0.23 0.66 -0.70 2.33 1.08 -1.26 -2.21 115.11 115.24 1s7a h GLN 39 Ca 0.07 -0.43 -0.04 0.00 -1.45 0.00 0.00 58.65 56.80 1s7a h GLN 39 Cb 0.05 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.50 1s7a h GLN 39 CO -0.01 1.05 0.28 0.82 -0.95 0.00 0.00 178.83 180.02 1s7a h ILE 40 N 0.35 1.24 0.00 2.54 2.04 0.24 -1.71 117.51 122.20 1s7a h ILE 40 Ca 0.01 -0.74 -0.07 0.00 1.00 0.00 0.00 64.86 65.05 1s7a h ILE 40 Cb 1.03 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1s7a h ILE 40 CO 0.09 0.30 -0.34 0.11 0.00 0.00 0.00 178.15 178.32 1s7a h LYS 41 N 1.01 0.00 0.00 2.37 1.57 0.11 -2.32 116.57 119.32 1s7a h LYS 41 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1s7a h LYS 41 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1s7a h LYS 41 CO -0.02 0.34 0.00 -0.11 -0.57 0.00 0.00 179.45 179.09 1s7a n LEU 42 N -3.70 0.00 0.00 2.94 7.94 -0.64 -4.80 117.00 118.73 1s7a n LEU 42 Ca -0.01 0.73 0.00 0.00 -1.11 0.00 0.00 56.01 55.62 1s7a n LEU 42 Cb 0.44 -0.23 0.00 0.00 0.53 0.00 0.00 43.42 44.16 1s7a n LEU 42 CO 0.36 -0.23 0.00 0.47 -1.11 0.00 0.00 177.39 176.88 1s7a n ASP 43 N -1.48 0.00 -1.07 1.96 9.92 -1.24 -4.95 116.55 119.69 1s7a n ASP 43 Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.25 1s7a n ASP 43 Cb 0.00 0.00 0.21 0.00 -0.64 0.00 0.00 41.12 40.69 1s7a n ASP 43 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1s7a n GLU 44 N 0.00 2.00 0.00 -1.24 -0.58 -1.26 -4.87 120.64 114.69 1s7a n GLU 44 Ca 0.00 -3.11 0.00 0.00 -0.42 0.00 0.00 57.16 53.63 1s7a n GLU 44 Cb 0.00 -1.81 0.00 0.00 -0.57 0.00 0.00 31.44 29.06 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 -1.03 1.92 3.65 0.62 0.00 -0.87 -4.89 105.19 104.60 1s7a n GLY 45 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.40 1.72 -0.01 1.61 0.23 -1.26 -4.15 118.94 114.67 1s7a s TRP 46 Ca 0.00 0.02 0.04 0.00 -2.03 0.00 0.00 56.10 54.13 1s7a s TRP 46 Cb 0.00 -4.03 -0.03 0.00 0.03 0.00 0.00 33.47 29.44 1s7a s TRP 46 CO 0.00 -4.37 -0.12 0.08 0.96 0.00 0.00 176.95 173.51 1s7a s VAL 47 N 4.47 3.28 0.17 4.03 1.01 0.49 -4.79 120.40 129.06 1s7a s VAL 47 Ca 0.79 -0.81 -0.14 0.00 0.00 0.00 0.00 61.98 61.82 1s7a s VAL 47 Cb -0.36 -2.36 -0.07 0.00 0.00 0.00 0.00 36.38 33.59 1s7a s VAL 47 CO 0.34 0.47 0.58 -2.16 0.00 0.00 0.00 175.10 174.32 1s7a s PRO 48 N -1.13 3.99 0.00 2.72 0.04 -1.26 0.20 135.00 139.57 1s7a s PRO 48 Ca 0.14 0.52 0.01 0.00 0.04 0.00 0.00 61.00 61.71 1s7a s PRO 48 Cb -0.11 -2.88 0.07 0.00 0.04 0.00 0.00 34.50 31.62 1s7a s PRO 48 CO 0.04 0.44 0.55 1.28 0.04 0.00 0.00 177.00 179.36 1s7a n LEU 49 N 0.66 0.00 -0.10 -3.56 4.77 -1.23 -2.52 117.00 115.02 1s7a n LEU 49 Ca -0.04 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.84 1s7a n LEU 49 Cb 0.52 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1s7a n LEU 49 CO 0.43 0.00 0.87 1.05 -1.33 0.00 0.00 177.39 178.41 1s7a h GLU 50 N 0.00 0.49 -0.26 3.23 4.11 -1.91 1.33 114.58 121.58 1s7a h GLU 50 Ca 0.00 -0.10 -0.11 0.00 0.07 0.00 0.00 59.36 59.22 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 0.53 -0.29 0.82 0.07 0.00 0.00 179.01 180.14 1s7a h ILE 51 N 0.36 1.28 0.07 -1.06 2.04 -1.91 -0.79 117.51 117.50 1s7a h ILE 51 Ca 0.10 -1.36 -0.17 0.00 1.00 0.00 0.00 64.86 64.43 1s7a h ILE 51 Cb 0.24 1.40 0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1s7a h ILE 51 CO -0.00 0.43 -0.70 0.24 0.00 0.00 0.00 178.15 178.12 1s7a h MET 52 N 0.45 0.35 0.00 2.37 2.86 -1.61 -1.74 114.93 117.62 1s7a h MET 52 Ca 0.06 -0.47 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 1s7a h MET 52 Cb 0.74 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.56 1s7a h MET 52 CO 0.06 1.17 0.00 0.44 1.06 0.00 0.00 176.91 179.63 1s7a n ILE 53 N -4.18 0.00 -0.02 -1.22 -6.64 0.45 -3.37 119.36 104.39 1s7a n ILE 53 Ca -0.12 0.00 -0.01 0.00 -1.77 0.00 0.00 62.75 60.85 1s7a n ILE 53 Cb 0.74 -0.41 -0.04 0.00 -1.44 0.00 0.00 39.64 38.49 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 2.34 -2.01 6.28 4.81 -0.31 -4.28 118.16 124.10 1s7a n LYS 54 Ca 0.17 -0.01 -0.40 0.00 -0.87 0.00 0.00 58.31 57.20 1s7a n LYS 54 Cb 0.08 -1.11 -0.01 0.00 0.02 0.00 0.00 35.03 34.01 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 -2.17 2.85 0.64 5.64 0.08 -0.66 -4.63 117.98 119.73 1s7a s PHE 55 Ca -0.02 1.35 0.34 0.00 0.12 0.00 0.00 56.93 58.72 1s7a s PHE 55 Cb 0.02 -3.77 1.88 0.00 -0.57 0.00 0.00 43.02 40.57 1s7a s PHE 55 CO 0.18 -2.24 2.11 -2.95 -0.10 0.00 0.00 175.22 172.23 1s7a h ASN 56 N 3.06 0.00 -0.55 1.36 7.08 -1.91 0.51 115.58 125.14 1s7a h ASN 56 Ca -0.50 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 52.69 1s7a h ASN 56 Cb 1.24 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.45 1s7a h ASN 56 CO 0.64 0.00 0.21 -0.09 -2.08 0.00 0.00 177.43 176.12 1s7a h ARG 57 N 0.00 0.83 0.00 4.14 1.12 -1.89 -2.98 114.38 115.60 1s7a h ARG 57 Ca 0.03 -0.15 -0.27 0.00 -1.11 0.00 0.00 59.98 58.48 1s7a h ARG 57 Cb 0.43 -0.13 -0.05 0.00 -0.01 0.00 0.00 29.97 30.21 1s7a h ARG 57 CO -0.00 0.72 -2.03 -0.11 -3.11 0.00 0.00 179.97 175.44 1s7a n LEU 58 N -4.50 2.64 0.28 3.80 0.00 -0.55 -4.41 117.00 114.26 1s7a n LEU 58 Ca 0.03 -0.09 0.18 0.00 0.00 0.00 0.00 56.01 56.13 1s7a n LEU 58 Cb 0.17 -0.52 0.91 0.00 0.00 0.00 0.00 43.42 43.98 1s7a n LEU 58 CO 0.39 0.76 1.15 -1.13 0.00 0.00 0.00 177.39 178.55 1s7a h ASN 59 N 0.00 0.00 0.04 1.96 -1.24 -0.14 0.22 115.58 116.43 1s7a h ASN 59 Ca -0.40 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.61 1s7a h ASN 59 Cb 1.66 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.71 1s7a h ASN 59 CO -0.05 0.00 0.00 -1.14 -1.29 0.00 0.00 177.43 174.95 1s7a n ARG 60 N -3.25 0.54 0.00 6.67 0.63 -1.12 -4.57 116.66 115.55 1s7a n ARG 60 Ca -0.00 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1s7a n ARG 60 Cb 0.31 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.72 1s7a n ARG 60 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1s7a n LEU 61 N -1.04 0.00 -4.87 6.15 4.77 0.75 -5.11 117.00 117.65 1s7a n LEU 61 Ca 0.13 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.74 1s7a n LEU 61 Cb 0.07 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 1s7a n LEU 61 CO 0.11 0.00 -0.11 -0.89 -1.33 0.00 0.00 177.39 175.17 1s7a s THR 62 N 0.00 5.40 0.00 -5.08 2.01 -1.05 -4.95 115.64 111.96 1s7a s THR 62 Ca 0.00 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.34 1s7a s THR 62 Cb 0.00 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 69.03 1s7a s THR 62 CO 0.00 0.59 0.30 0.35 -0.69 0.00 0.00 174.62 175.17 1s7a n THR 63 N 1.88 0.00 -2.74 -0.82 -2.24 -1.26 -4.14 114.28 104.96 1s7a n THR 63 Ca -0.18 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 1s7a n THR 63 Cb 0.54 0.84 -0.04 0.00 -2.10 0.00 0.00 70.33 69.58 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 0.00 6.19 0.31 3.42 1.01 -1.26 -4.88 116.67 121.46 1s7a s ASP 64 Ca 0.00 -0.72 0.18 0.00 0.71 0.00 0.00 52.55 52.72 1s7a s ASP 64 Cb 0.00 -2.47 1.13 0.00 1.01 0.00 0.00 42.92 42.59 1s7a s ASP 64 CO 0.00 -1.57 1.32 0.49 0.21 0.00 0.00 175.17 175.62 1s7a n PHE 65 N 8.31 0.97 -0.10 4.23 3.72 -1.26 0.19 117.46 133.51 1s7a n PHE 65 Ca -0.01 0.98 -0.13 0.00 -0.05 0.00 0.00 57.45 58.25 1s7a n PHE 65 Cb 0.47 -1.40 -0.04 0.00 -0.94 0.00 0.00 39.48 37.58 1s7a n PHE 65 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1s7a h ASN 66 N 0.00 0.75 -0.15 4.37 -0.00 -1.98 0.27 115.58 118.85 1s7a h ASN 66 Ca 0.71 -0.44 -0.09 0.00 -0.00 0.00 0.00 56.30 56.48 1s7a h ASN 66 Cb 1.89 -0.21 -0.00 0.00 -0.00 0.00 0.00 38.32 40.00 1s7a h ASN 66 CO -0.64 1.04 -0.25 0.58 -0.00 0.00 0.00 177.43 178.16 1s7a h VAL 67 N 0.48 1.36 -0.33 2.57 2.07 0.16 -2.13 116.25 120.43 1s7a h VAL 67 Ca 0.06 -1.49 -0.06 0.00 0.82 0.00 0.00 66.70 66.03 1s7a h VAL 67 Cb 0.80 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 1s7a h VAL 67 CO 0.06 0.44 -0.04 -0.29 0.02 0.00 0.00 177.57 177.76 1s7a h ILE 68 N 0.05 1.27 -0.50 4.57 -0.00 -0.46 -2.68 117.51 119.76 1s7a h ILE 68 Ca 0.01 -1.05 -0.01 0.00 -0.00 0.00 0.00 64.86 63.81 1s7a h ILE 68 Cb 0.83 1.30 -0.02 0.00 -0.00 0.00 0.00 36.82 38.92 1s7a h ILE 68 CO 0.06 0.34 0.27 0.58 -0.00 0.00 0.00 178.15 179.40 1s7a h VAL 69 N 0.39 1.16 -0.04 2.19 2.07 -0.49 -1.89 116.25 119.63 1s7a h VAL 69 Ca 0.09 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1s7a h VAL 69 Cb 0.52 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1s7a h VAL 69 CO 0.03 0.17 -0.00 -0.33 0.02 0.00 0.00 177.57 177.46 1s7a h GLU 70 N 0.70 0.08 0.11 1.57 4.39 -1.18 0.51 114.58 120.76 1s7a h GLU 70 Ca 0.18 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 1s7a h GLU 70 Cb 0.02 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1s7a h GLU 70 CO -0.03 0.38 -0.05 0.00 -1.16 0.00 0.00 179.01 178.14 1s7a h ALA 71 N 0.70 -0.15 0.00 3.43 0.00 -1.24 -2.83 119.26 119.17 1s7a h ALA 71 Ca 0.01 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1s7a h ALA 71 Cb 0.34 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1s7a h ALA 71 CO 0.00 -0.54 -0.49 1.37 0.00 0.00 0.00 179.25 179.59 1s7a h LEU 72 N -0.24 0.00 -1.15 0.00 8.10 -1.39 -2.75 115.31 117.89 1s7a h LEU 72 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.97 1s7a h LEU 72 Cb 0.19 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.41 1s7a h LEU 72 CO 0.03 0.49 0.07 -0.24 -4.11 0.00 0.00 178.44 174.68 1s7a n SER 73 N -3.81 0.45 -0.08 0.17 2.88 0.18 -0.54 113.62 112.86 1s7a n SER 73 Ca -0.01 0.68 0.05 0.00 -1.33 0.00 0.00 58.87 58.27 1s7a n SER 73 Cb 0.53 -0.72 -0.04 0.00 -0.75 0.00 0.00 64.21 63.23 1s7a n SER 73 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1s7a n LYS 74 N -2.12 2.92 -1.09 -1.46 5.02 -1.04 -5.02 118.16 115.36 1s7a n LYS 74 Ca -0.01 -0.21 -0.34 0.00 -2.02 0.00 0.00 58.31 55.73 1s7a n LYS 74 Cb 0.10 -1.06 0.11 0.00 -0.02 0.00 0.00 35.03 34.16 1s7a n LYS 74 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1s7a n SER 75 N -0.93 -0.19 0.00 4.39 3.41 0.29 -4.96 113.62 115.64 1s7a n SER 75 Ca 0.03 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 1s7a n SER 75 Cb 0.20 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 62.78 1s7a n SER 75 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1s7a n LYS 76 N -2.26 0.00 -0.61 4.33 0.00 -1.26 -5.00 118.16 113.36 1s7a n LYS 76 Ca 0.11 0.00 0.08 0.00 0.00 0.00 0.00 58.31 58.51 1s7a n LYS 76 Cb 0.51 0.00 0.34 0.00 0.00 0.00 0.00 35.03 35.88 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 0.00 3.17 -2.61 3.14 0.00 -1.26 -4.90 120.51 118.04 1s7a n ALA 77 Ca 0.00 -1.49 -0.16 0.00 0.00 0.00 0.00 53.44 51.79 1s7a n ALA 77 Cb 0.00 -1.04 0.01 0.00 0.00 0.00 0.00 19.45 18.42 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 0.96 -2.72 -0.00 0.00 4.07 -1.26 -4.88 120.64 116.81 1s7a n GLU 78 Ca 0.24 0.72 0.06 0.00 -0.06 0.00 0.00 57.16 58.13 1s7a n GLU 78 Cb 0.87 -5.11 -0.09 0.00 -0.06 0.00 0.00 31.44 27.05 1s7a n GLU 78 CO 0.00 0.00 0.00 1.47 -0.06 0.00 0.00 177.13 178.54 1s7a n LEU 79 N -2.76 0.38 0.00 4.31 -0.00 -1.26 -5.05 117.00 112.61 1s7a n LEU 79 Ca -0.13 -0.31 0.00 0.00 -0.00 0.00 0.00 56.01 55.57 1s7a n LEU 79 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.03 1s7a n LEU 79 CO 0.30 0.10 0.00 0.23 -0.00 0.00 0.00 177.39 178.02 1s7a n MET 80 N -1.56 0.00 -3.53 1.47 2.81 -1.26 -4.60 117.12 110.46 1s7a n MET 80 Ca 0.01 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.79 1s7a n MET 80 Cb 0.26 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.67 1s7a n MET 80 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1s7a s GLU 81 N 0.47 0.28 0.07 0.03 -6.30 0.22 -4.62 118.70 108.85 1s7a s GLU 81 Ca 0.00 0.71 -0.19 0.00 -2.50 0.00 0.00 54.97 52.98 1s7a s GLU 81 Cb 0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 34.13 33.86 1s7a s GLU 81 CO 0.00 -0.45 0.56 0.42 0.02 0.00 0.00 175.26 175.82 1s7a s ILE 82 N 2.52 4.76 0.26 -3.70 -1.09 -1.26 -2.35 121.20 120.34 1s7a s ILE 82 Ca 0.05 1.20 -0.04 0.00 -2.23 0.00 0.00 60.65 59.63 1s7a s ILE 82 Cb -0.14 -3.89 0.06 0.00 -1.58 0.00 0.00 42.46 36.92 1s7a s ILE 82 CO -0.13 0.55 0.24 -1.20 -1.23 0.00 0.00 174.94 173.17 1s7a n SER 83 N 1.78 -1.19 0.06 3.58 7.64 -1.26 -4.93 113.62 119.31 1s7a n SER 83 Ca -0.10 -0.66 0.13 0.00 1.01 0.00 0.00 58.87 59.25 1s7a n SER 83 Cb 0.51 -0.22 0.36 0.00 -1.01 0.00 0.00 64.21 63.86 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 -2.20 0.20 0.08 1.43 1.02 -1.26 -3.44 120.64 116.47 1s7a n GLU 84 Ca 0.03 0.12 0.12 0.00 -0.02 0.00 0.00 57.16 57.41 1s7a n GLU 84 Cb 0.13 -1.69 0.46 0.00 -0.02 0.00 0.00 31.44 30.32 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 -2.01 0.55 -0.03 1.62 9.92 -1.26 -4.86 116.55 120.48 1s7a n ASP 85 Ca 0.05 0.58 -0.00 0.00 -0.53 0.00 0.00 54.79 54.89 1s7a n ASP 85 Cb 0.41 -0.72 -0.00 0.00 -0.64 0.00 0.00 41.12 40.17 1s7a n ASP 85 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1s7a n LYS 86 N -2.04 -1.92 -0.95 -1.24 5.02 -1.22 -4.77 118.16 111.04 1s7a n LYS 86 Ca 0.05 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 1s7a n LYS 86 Cb 0.34 -4.94 0.16 0.00 -0.02 0.00 0.00 35.03 30.57 1s7a n LYS 86 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1s7a n THR 87 N -2.04 2.11 -3.46 -0.18 -2.24 -1.26 -4.58 114.28 102.62 1s7a n THR 87 Ca -0.00 -3.27 -0.13 0.00 -2.27 0.00 0.00 64.05 58.38 1s7a n THR 87 Cb 0.49 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.39 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 -3.10 1.14 0.05 -0.78 -2.85 -1.26 -3.49 119.74 109.45 1s7a s LYS 88 Ca 0.40 -0.25 0.05 0.00 -1.00 0.00 0.00 55.97 55.16 1s7a s LYS 88 Cb 0.38 0.53 -0.02 0.00 -2.06 0.00 0.00 37.83 36.65 1s7a s LYS 88 CO -0.06 -0.47 -0.13 0.96 0.10 0.00 0.00 175.35 175.75 1s7a s ILE 89 N -2.97 1.05 0.06 3.79 -4.36 0.54 -4.03 121.20 115.28 1s7a s ILE 89 Ca -0.01 -1.06 -0.09 0.00 -0.26 0.00 0.00 60.65 59.23 1s7a s ILE 89 Cb -0.01 -0.97 -0.00 0.00 1.25 0.00 0.00 42.46 42.73 1s7a s ILE 89 CO -0.07 -0.08 0.18 -0.60 0.24 0.00 0.00 174.94 174.62 1s7a s ARG 90 N -1.29 0.75 -0.11 0.37 3.00 -0.99 0.18 118.95 120.86 1s7a s ARG 90 Ca -0.00 -0.79 -0.11 0.00 -1.00 0.00 0.00 55.73 53.83 1s7a s ARG 90 Cb -0.08 0.31 -0.05 0.00 0.00 0.00 0.00 34.95 35.13 1s7a s ARG 90 CO 0.01 -0.23 0.24 0.50 0.00 0.00 0.00 175.30 175.83 1s7a s ARG 91 N -3.17 3.86 -0.32 5.12 3.52 -1.26 0.71 118.95 127.41 1s7a s ARG 91 Ca -0.00 0.04 -0.28 0.00 -0.13 0.00 0.00 55.73 55.36 1s7a s ARG 91 Cb 0.02 -3.29 -0.03 0.00 -1.56 0.00 0.00 34.95 30.09 1s7a s ARG 91 CO -0.07 0.56 1.98 0.45 -0.81 0.00 0.00 175.30 177.41 1s7a s SER 92 N -0.47 5.61 0.54 -2.12 0.15 -1.26 -4.79 113.70 111.35 1s7a s SER 92 Ca 0.16 1.42 0.31 0.00 0.70 0.00 0.00 55.95 58.55 1s7a s SER 92 Cb -0.13 -2.52 1.53 0.00 -1.71 0.00 0.00 66.02 63.19 1s7a s SER 92 CO 0.05 -1.92 2.08 1.55 1.20 0.00 0.00 173.24 176.20 1s7a h PRO 93 N 14.20 0.00 -0.11 5.44 0.13 -1.95 -0.72 132.00 148.99 1s7a h PRO 93 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 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 1.03 0.09 0.00 0.43 -0.23 0.00 0.00 178.00 179.32 1s7a n SER 94 N -3.42 1.47 -4.20 1.44 7.64 -1.26 -4.77 113.62 110.52 1s7a n SER 94 Ca -0.01 -1.62 -0.33 0.00 1.01 0.00 0.00 58.87 57.92 1s7a n SER 94 Cb 0.25 -0.07 -0.16 0.00 -1.01 0.00 0.00 64.21 63.22 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 -1.86 3.08 0.55 1.43 2.36 -0.28 -5.10 119.74 119.91 1s7a s LYS 95 Ca 0.34 -0.82 -0.20 0.00 -2.55 0.00 0.00 55.97 52.73 1s7a s LYS 95 Cb 0.18 -2.49 -0.05 0.00 -1.05 0.00 0.00 37.83 34.42 1s7a s LYS 95 CO 0.28 -0.00 1.21 -1.25 1.55 0.00 0.00 175.35 177.14 1s7a s PRO 96 N 0.81 3.24 -0.17 4.03 0.04 -1.26 -4.79 135.00 136.88 1s7a s PRO 96 Ca -0.07 1.85 0.01 0.00 0.04 0.00 0.00 61.00 62.84 1s7a s PRO 96 Cb -0.15 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.31 1s7a s PRO 96 CO -0.01 -1.00 -0.15 -0.48 0.04 0.00 0.00 177.00 175.40 1s7a s LEU 97 N -3.70 2.00 0.29 -3.56 0.05 -1.26 -5.11 118.68 107.39 1s7a s LEU 97 Ca 0.73 -0.65 -0.02 0.00 0.05 0.00 0.00 54.13 54.24 1s7a s LEU 97 Cb -0.31 -1.29 -0.04 0.00 -2.05 0.00 0.00 46.19 42.50 1s7a s LEU 97 CO 0.35 -0.06 0.52 -2.16 -0.55 0.00 0.00 176.35 174.45 1s7a s PRO 98 N 1.40 3.56 0.02 1.48 0.04 -1.26 -4.98 135.00 135.25 1s7a s PRO 98 Ca 0.03 -0.18 0.06 0.00 0.04 0.00 0.00 61.00 60.96 1s7a s PRO 98 Cb -0.14 -2.69 -0.03 0.00 0.04 0.00 0.00 34.50 31.68 1s7a s PRO 98 CO -0.11 0.22 -0.17 -2.00 0.04 0.00 0.00 177.00 174.98 1s7a s GLU 99 N -3.79 2.16 0.09 4.56 2.12 -1.26 -4.64 118.70 117.94 1s7a s GLU 99 Ca 0.41 -0.92 -0.28 0.00 0.36 0.00 0.00 54.97 54.54 1s7a s GLU 99 Cb -0.10 -2.22 -0.06 0.00 0.26 0.00 0.00 34.13 32.01 1s7a s GLU 99 CO 0.32 0.56 0.90 0.14 -0.54 0.00 0.00 175.26 176.64 1s7a s VAL 100 N -0.88 4.58 0.16 3.70 -7.23 -1.26 -5.05 120.40 114.41 1s7a s VAL 100 Ca 0.14 1.94 0.11 0.00 -1.81 0.00 0.00 61.98 62.36 1s7a s VAL 100 Cb -0.10 -4.26 -0.04 0.00 0.56 0.00 0.00 36.38 32.53 1s7a s VAL 100 CO 0.04 0.33 -0.25 -0.89 -0.31 0.00 0.00 175.10 174.03 1s7a s THR 101 N -0.00 2.37 0.56 5.32 2.01 -1.26 -5.11 115.64 119.52 1s7a s THR 101 Ca 0.44 -1.87 -0.21 0.00 0.31 0.00 0.00 61.69 60.36 1s7a s THR 101 Cb -0.22 -2.10 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 1s7a s THR 101 CO 0.28 -0.01 1.34 1.51 -0.69 0.00 0.00 174.62 177.04 1s7a s ASP 102 N -2.38 5.20 0.00 3.53 1.47 -1.26 -5.33 116.67 117.90 1s7a s ASP 102 Ca 0.18 2.72 0.00 0.00 1.18 0.00 0.00 52.55 56.62 1s7a s ASP 102 Cb -0.09 -2.63 0.00 0.00 -0.34 0.00 0.00 42.92 39.86 1s7a s ASP 102 CO 0.08 -1.61 0.00 1.21 0.68 0.00 0.00 175.17 175.53