#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 1.25 -0.55 -5.12 0.00 -1.26 -4.94 120.51 109.89 1s7a n ALA 2 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1s7a n ALA 2 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -3.02 1.51 0.22 0.00 2.13 -1.26 -3.44 120.64 116.77 1s7a n GLU 3 Ca 0.00 -1.13 0.00 0.00 0.66 0.00 0.00 57.16 56.69 1s7a n GLU 3 Cb 0.00 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 29.45 1s7a n GLU 3 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1s7a n ASN 4 N 4.16 -3.89 0.00 4.31 4.13 -1.26 -5.05 115.26 117.66 1s7a n ASN 4 Ca 0.32 0.84 0.00 0.00 1.68 0.00 0.00 54.58 57.43 1s7a n ASN 4 Cb 0.14 3.65 0.00 0.00 -1.54 0.00 0.00 39.78 42.03 1s7a n ASN 4 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1s7a n GLY 5 N -1.49 0.54 3.15 7.41 0.00 -1.22 -4.18 105.19 109.40 1s7a n GLY 5 Ca 0.00 0.49 0.06 0.00 0.00 0.00 0.00 46.02 46.57 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 -2.97 -0.06 0.00 1.61 -4.77 -1.26 -5.03 116.67 104.20 1s7a s ASP 6 Ca 0.00 0.02 0.21 0.00 -3.30 0.00 0.00 52.55 49.48 1s7a s ASP 6 Cb 0.00 1.05 -0.18 0.00 -1.09 0.00 0.00 42.92 42.70 1s7a s ASP 6 CO 0.00 -0.01 0.94 -0.46 0.70 0.00 0.00 175.17 176.33 1s7a n ASN 7 N 5.24 0.98 -0.00 2.11 6.94 -1.26 -4.40 115.26 124.87 1s7a n ASN 7 Ca 0.01 -0.96 -0.13 0.00 -0.02 0.00 0.00 54.58 53.48 1s7a n ASN 7 Cb 0.57 0.94 -0.09 0.00 -2.36 0.00 0.00 39.78 38.85 1s7a n ASN 7 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1s7a h GLU 8 N 0.04 0.04 -0.40 -3.83 5.08 -1.95 0.24 114.58 113.79 1s7a h GLU 8 Ca 0.00 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1s7a h GLU 8 Cb 0.50 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 1s7a h GLU 8 CO 0.00 0.37 0.12 -0.22 -1.00 0.00 0.00 179.01 178.28 1s7a h LYS 9 N -0.30 0.26 -0.20 2.33 3.64 -2.00 -1.21 116.57 119.10 1s7a h LYS 9 Ca 0.01 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.21 1s7a h LYS 9 Cb 0.35 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1s7a h LYS 9 CO 0.00 0.17 -0.54 0.52 -2.27 0.00 0.00 179.45 177.34 1s7a h MET 10 N 0.27 0.59 0.13 1.90 2.86 -1.76 -0.79 114.93 118.14 1s7a h MET 10 Ca 0.19 -0.37 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1s7a h MET 10 Cb 0.19 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1s7a h MET 10 CO -0.21 0.98 -0.12 0.00 1.06 0.00 0.00 176.91 178.62 1s7a h ALA 11 N 0.95 -0.24 -0.08 6.32 0.00 0.10 0.19 119.26 126.49 1s7a h ALA 11 Ca 0.01 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1s7a h ALA 11 Cb 1.09 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1s7a h ALA 11 CO 0.10 -0.65 -0.55 0.00 0.00 0.00 0.00 179.25 178.15 1s7a h ALA 12 N 0.58 0.92 -0.47 0.00 0.00 -1.26 -3.11 119.26 115.91 1s7a h ALA 12 Ca 0.00 -0.51 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 1s7a h ALA 12 Cb 0.25 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1s7a h ALA 12 CO -0.02 0.69 -0.01 1.25 0.00 0.00 0.00 179.25 181.16 1s7a h LEU 13 N 0.19 0.82 -0.41 0.00 5.85 -0.71 0.13 115.31 121.18 1s7a h LEU 13 Ca 0.00 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.42 1s7a h LEU 13 Cb 1.02 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 1s7a h LEU 13 CO 0.09 0.93 0.26 -0.08 -0.34 0.00 0.00 178.44 179.30 1s7a h GLU 14 N 0.69 0.52 -0.12 1.25 4.81 -0.58 -1.40 114.58 119.75 1s7a h GLU 14 Ca 0.13 -0.03 -0.21 0.00 -0.13 0.00 0.00 59.36 59.12 1s7a h GLU 14 Cb 0.52 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1s7a h GLU 14 CO 0.03 0.34 -0.76 0.00 -0.73 0.00 0.00 179.01 177.89 1s7a h ALA 15 N 1.16 0.43 -0.75 2.92 0.00 -1.48 -2.90 119.26 118.63 1s7a h ALA 15 Ca 0.15 -0.60 0.04 0.00 0.00 0.00 0.00 54.91 54.50 1s7a h ALA 15 Cb -0.05 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1s7a h ALA 15 CO -0.04 0.72 0.46 0.87 0.00 0.00 0.00 179.25 181.26 1s7a h LYS 16 N 0.44 0.85 -0.52 0.00 1.57 -0.45 -1.74 116.57 116.71 1s7a h LYS 16 Ca -0.04 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 1s7a h LYS 16 Cb 1.37 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 1s7a h LYS 16 CO 0.15 0.57 0.00 0.82 -0.57 0.00 0.00 179.45 180.41 1s7a h ILE 17 N 0.88 1.26 -0.68 1.86 2.04 -1.25 -2.93 117.51 118.69 1s7a h ILE 17 Ca 0.31 -1.09 0.02 0.00 1.00 0.00 0.00 64.86 65.11 1s7a h ILE 17 Cb 0.08 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1s7a h ILE 17 CO -0.14 0.39 0.43 0.00 0.00 0.00 0.00 178.15 178.83 1s7a h HIS 19 N 0.85 0.85 -0.11 0.00 3.86 -1.18 -0.95 115.15 118.46 1s7a h HIS 19 Ca 0.27 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.49 1s7a h HIS 19 Cb -0.01 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.17 1s7a h HIS 19 CO -0.04 0.50 0.04 1.96 0.86 0.00 0.00 177.93 181.26 1s7a h GLN 20 N 0.89 0.17 -0.67 2.45 4.20 -1.16 -1.87 115.11 119.12 1s7a h GLN 20 Ca 0.28 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 59.01 1s7a h GLN 20 Cb 0.02 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1s7a h GLN 20 CO -0.08 0.28 0.44 0.82 -0.67 0.00 0.00 178.83 179.62 1s7a h ILE 21 N 0.02 1.04 -0.50 2.54 1.08 -1.01 0.86 117.51 121.54 1s7a h ILE 21 Ca 0.04 -0.25 0.01 0.00 -0.39 0.00 0.00 64.86 64.26 1s7a h ILE 21 Cb 0.18 0.26 -0.02 0.00 -3.07 0.00 0.00 36.82 34.16 1s7a h ILE 21 CO -0.00 0.13 0.33 -0.33 -0.69 0.00 0.00 178.15 177.59 1s7a h GLU 22 N 0.72 0.65 -0.42 2.37 5.08 -0.43 -0.57 114.58 121.98 1s7a h GLU 22 Ca 0.28 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1s7a h GLU 22 Cb 0.19 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1s7a h GLU 22 CO -0.09 0.43 0.21 -0.92 -1.00 0.00 0.00 179.01 177.65 1s7a h TYR 23 N 0.67 0.60 0.14 4.33 3.20 -0.11 5.08 116.97 130.87 1s7a h TYR 23 Ca 0.18 -0.02 -0.31 0.00 3.14 0.00 0.00 58.73 61.72 1s7a h TYR 23 Cb -0.07 -0.19 0.03 0.00 1.54 0.00 0.00 36.73 38.04 1s7a h TYR 23 CO -0.00 0.48 -1.28 1.88 -1.64 0.00 0.00 178.16 177.60 1s7a h TYR 24 N 0.54 1.01 0.00 -3.82 0.05 -1.42 -3.20 116.97 110.13 1s7a h TYR 24 Ca 0.15 -0.65 -0.05 0.00 0.05 0.00 0.00 58.73 58.23 1s7a h TYR 24 Cb 0.10 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 1s7a h TYR 24 CO -0.01 1.49 -2.05 1.19 -1.05 0.00 0.00 178.16 177.72 1s7a n PHE 25 N -3.78 0.00 0.00 4.88 3.72 -0.26 -1.88 117.46 120.15 1s7a n PHE 25 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1s7a n PHE 25 Cb 1.00 -0.57 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 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 1.34 0.32 4.91 1.37 0.00 1.66 -4.35 105.19 110.43 1s7a n GLY 26 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 1.72 0.00 -0.04 1.61 8.00 -1.26 -4.60 116.55 121.98 1s7a n ASP 27 Ca 0.00 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.34 1s7a n ASP 27 Cb 0.00 -0.37 -0.13 0.00 -0.02 0.00 0.00 41.12 40.60 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 0.15 0.05 1.24 3.57 -1.76 -3.34 116.94 116.85 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 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 1s7a h PHE 28 CO 0.00 1.10 -1.05 -0.91 -2.23 0.00 0.00 178.31 175.23 1s7a h ASN 29 N -0.82 0.35 -0.77 0.41 4.21 -1.59 -3.34 115.58 114.02 1s7a h ASN 29 Ca -0.05 -0.32 0.04 0.00 1.21 0.00 0.00 56.30 57.18 1s7a h ASN 29 Cb 1.19 -0.11 -0.05 0.00 -1.12 0.00 0.00 38.32 38.23 1s7a h ASN 29 CO 0.04 1.19 0.48 -0.07 -1.29 0.00 0.00 177.43 177.77 1s7a h LEU 30 N 0.11 0.77 -1.64 1.61 3.38 -1.54 3.91 115.31 121.90 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 1.73 -0.16 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 0.91 0.00 0.00 1.13 0.11 -1.69 -3.13 132.00 129.34 1s7a h PRO 31 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 1s7a h PRO 31 Cb 0.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.19 1s7a h PRO 31 CO -0.14 0.00 0.00 -2.13 -0.21 0.00 0.00 178.00 175.52 1s7a n ARG 32 N -2.39 0.00 -1.57 1.05 0.63 -0.56 -5.05 116.66 108.78 1s7a n ARG 32 Ca -0.02 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.58 1s7a n ARG 32 Cb 0.09 -0.34 -0.04 0.00 0.45 0.00 0.00 32.46 32.62 1s7a n ARG 32 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1s7a s ASP 33 N 0.00 4.36 0.01 6.15 1.11 1.28 -4.78 116.67 124.81 1s7a s ASP 33 Ca 0.00 0.93 -0.20 0.00 0.18 0.00 0.00 52.55 53.46 1s7a s ASP 33 Cb 0.00 -2.51 -0.20 0.00 1.07 0.00 0.00 42.92 41.28 1s7a s ASP 33 CO 0.00 -3.02 1.18 0.11 1.18 0.00 0.00 175.17 174.62 1s7a h LYS 34 N 18.64 0.38 -0.45 8.23 1.79 -1.91 -1.56 116.57 141.68 1s7a h LYS 34 Ca -0.21 -0.32 -0.07 0.00 -2.18 0.00 0.00 60.65 57.87 1s7a h LYS 34 Cb 1.23 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.94 1s7a h LYS 34 CO 1.14 0.97 -0.01 0.27 -1.08 0.00 0.00 179.45 180.74 1s7a h PHE 35 N -0.11 0.88 -0.36 -1.35 -5.15 -1.98 -2.65 116.94 106.22 1s7a h PHE 35 Ca -0.03 -0.15 -0.07 0.00 -0.20 0.00 0.00 57.97 57.52 1s7a h PHE 35 Cb 1.05 -0.23 -0.02 0.00 0.22 0.00 0.00 35.95 36.98 1s7a h PHE 35 CO 0.13 0.85 -0.07 1.25 -2.00 0.00 0.00 178.31 178.47 1s7a h LEU 36 N 0.65 0.57 -1.84 2.10 7.12 -1.95 -1.91 115.31 120.05 1s7a h LEU 36 Ca 0.13 -0.14 -0.03 0.00 0.13 0.00 0.00 57.88 57.97 1s7a h LEU 36 Cb 0.51 -0.15 -0.00 0.00 -0.53 0.00 0.00 40.66 40.48 1s7a h LEU 36 CO 0.02 0.69 -0.13 0.11 -0.13 0.00 0.00 178.44 179.00 1s7a h LYS 37 N 0.55 0.00 -0.08 1.25 1.79 -0.97 -0.29 116.57 118.82 1s7a h LYS 37 Ca 0.11 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.52 1s7a h LYS 37 Cb 0.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1s7a h LYS 37 CO 0.02 0.13 -0.17 0.93 -1.08 0.00 0.00 179.45 179.29 1s7a h GLU 38 N 0.00 0.25 -0.05 3.15 5.08 -1.01 -1.57 114.58 120.44 1s7a h GLU 38 Ca -0.00 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1s7a h GLU 38 Cb 0.26 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1s7a h GLU 38 CO 0.02 0.76 -0.09 1.96 -1.00 0.00 0.00 179.01 180.66 1s7a h GLN 39 N -0.22 0.14 -0.81 2.33 1.08 -1.35 -1.20 115.11 115.09 1s7a h GLN 39 Ca 0.00 -0.09 0.02 0.00 -1.45 0.00 0.00 58.65 57.13 1s7a h GLN 39 Cb 0.76 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.16 1s7a h GLN 39 CO 0.04 0.67 0.53 0.97 -0.95 0.00 0.00 178.83 180.09 1s7a h ILE 40 N -0.37 1.16 0.00 2.54 2.10 -1.16 -1.21 117.51 120.58 1s7a h ILE 40 Ca 0.00 -0.36 -0.10 0.00 1.08 0.00 0.00 64.86 65.49 1s7a h ILE 40 Cb 0.67 0.03 -0.01 0.00 -1.09 0.00 0.00 36.82 36.42 1s7a h ILE 40 CO 0.02 0.19 -0.45 0.50 -1.08 0.00 0.00 178.15 177.33 1s7a h LYS 41 N 1.04 0.00 0.00 2.19 1.63 -1.25 0.25 116.57 120.43 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 -0.03 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 1s7a h LYS 41 CO -0.08 0.45 0.00 -0.11 -3.45 0.00 0.00 179.45 176.26 1s7a n LEU 42 N -3.46 0.00 0.00 5.20 7.94 -0.46 -4.75 117.00 121.47 1s7a n LEU 42 Ca 0.00 0.51 0.00 0.00 -1.11 0.00 0.00 56.01 55.41 1s7a n LEU 42 Cb 0.59 -0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.54 1s7a n LEU 42 CO 0.38 -0.01 0.00 -0.67 -1.11 0.00 0.00 177.39 175.99 1s7a n ASP 43 N -0.80 0.00 -2.00 1.96 2.03 -1.25 -4.88 116.55 111.62 1s7a n ASP 43 Ca 0.00 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.17 1s7a n ASP 43 Cb 0.00 0.00 0.23 0.00 -0.72 0.00 0.00 41.12 40.63 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 2.77 0.00 -0.67 2.13 -1.26 -4.82 120.64 118.79 1s7a n GLU 44 Ca 0.00 -3.06 0.00 0.00 0.66 0.00 0.00 57.16 54.76 1s7a n GLU 44 Cb 0.00 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 29.56 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 -0.77 1.21 3.65 8.31 0.00 0.87 -5.01 105.19 113.45 1s7a n GLY 45 Ca 0.49 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.33 1.85 0.00 1.61 0.23 -1.26 -4.41 118.94 114.63 1s7a s TRP 46 Ca 0.00 0.25 -0.01 0.00 -2.03 0.00 0.00 56.10 54.31 1s7a s TRP 46 Cb 0.00 -3.98 -0.04 0.00 0.03 0.00 0.00 33.47 29.48 1s7a s TRP 46 CO 0.00 -3.81 0.13 0.08 0.96 0.00 0.00 176.95 174.30 1s7a s VAL 47 N 4.83 5.01 0.03 4.03 1.01 0.37 -4.75 120.40 130.93 1s7a s VAL 47 Ca 0.77 -0.34 -0.18 0.00 0.00 0.00 0.00 61.98 62.23 1s7a s VAL 47 Cb -0.32 -3.33 -0.06 0.00 0.00 0.00 0.00 36.38 32.67 1s7a s VAL 47 CO 0.31 0.32 0.51 -2.16 0.00 0.00 0.00 175.10 174.08 1s7a s PRO 48 N -1.89 4.12 0.00 2.72 0.04 -1.26 0.20 135.00 138.93 1s7a s PRO 48 Ca 0.25 0.61 0.01 0.00 0.04 0.00 0.00 61.00 61.92 1s7a s PRO 48 Cb -0.12 -3.25 0.08 0.00 0.04 0.00 0.00 34.50 31.25 1s7a s PRO 48 CO 0.17 0.61 0.61 1.28 0.04 0.00 0.00 177.00 179.70 1s7a n LEU 49 N 1.95 0.00 -0.20 -3.56 4.77 -1.22 -2.07 117.00 116.67 1s7a n LEU 49 Ca -0.11 0.03 -0.08 0.00 -0.03 0.00 0.00 56.01 55.82 1s7a n LEU 49 Cb 0.51 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1s7a n LEU 49 CO 0.40 -0.03 0.90 1.05 -1.33 0.00 0.00 177.39 178.38 1s7a h GLU 50 N 0.00 0.93 -0.20 3.23 4.11 -1.91 1.20 114.58 121.94 1s7a h GLU 50 Ca 0.00 -0.24 -0.16 0.00 0.07 0.00 0.00 59.36 59.03 1s7a h GLU 50 Cb 0.00 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1s7a h GLU 50 CO 0.00 0.88 -0.54 0.82 0.07 0.00 0.00 179.01 180.24 1s7a h ILE 51 N 0.84 1.32 0.06 -1.06 2.04 -1.83 -1.97 117.51 116.90 1s7a h ILE 51 Ca 0.18 -1.77 -0.16 0.00 1.00 0.00 0.00 64.86 64.10 1s7a h ILE 51 Cb 0.38 1.74 0.02 0.00 -0.74 0.00 0.00 36.82 38.22 1s7a h ILE 51 CO 0.01 0.55 -0.66 0.24 0.00 0.00 0.00 178.15 178.29 1s7a h MET 52 N 0.44 0.35 0.00 2.37 2.86 -1.59 -1.69 114.93 117.67 1s7a h MET 52 Ca 0.01 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 1s7a h MET 52 Cb 1.08 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.89 1s7a h MET 52 CO 0.10 1.15 0.00 0.44 1.06 0.00 0.00 176.91 179.66 1s7a n ILE 53 N -4.20 0.00 -0.01 -1.22 -6.64 0.41 -3.15 119.36 104.55 1s7a n ILE 53 Ca -0.12 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.87 1s7a n ILE 53 Cb 0.72 -0.47 -0.02 0.00 -1.44 0.00 0.00 39.64 38.43 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 1.54 -1.88 6.28 0.00 -0.74 -4.38 118.16 118.09 1s7a n LYS 54 Ca 0.15 -0.01 -0.41 0.00 0.00 0.00 0.00 58.31 58.04 1s7a n LYS 54 Cb 0.07 -1.06 -0.01 0.00 0.00 0.00 0.00 35.03 34.03 1s7a n LYS 54 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1s7a s PHE 55 N -2.13 2.74 0.64 5.64 0.08 -0.64 -4.68 117.98 119.64 1s7a s PHE 55 Ca -0.01 1.15 0.34 0.00 0.12 0.00 0.00 56.93 58.53 1s7a s PHE 55 Cb 0.01 -3.94 1.89 0.00 -0.57 0.00 0.00 43.02 40.41 1s7a s PHE 55 CO 0.10 -2.83 2.12 -0.97 -0.10 0.00 0.00 175.22 173.54 1s7a h ASN 56 N 3.54 0.00 -0.18 1.36 -0.00 -1.91 0.20 115.58 118.59 1s7a h ASN 56 Ca -0.49 0.00 -0.12 0.00 -0.00 0.00 0.00 56.30 55.69 1s7a h ASN 56 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.55 1s7a h ASN 56 CO 0.68 0.00 -0.34 -0.09 -0.00 0.00 0.00 177.43 177.68 1s7a h ARG 57 N 0.00 0.55 0.05 6.67 2.43 -1.90 -2.96 114.38 119.22 1s7a h ARG 57 Ca 0.03 -0.35 -0.31 0.00 -0.81 0.00 0.00 59.98 58.54 1s7a h ARG 57 Cb 0.42 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 1s7a h ARG 57 CO -0.00 0.96 -1.72 1.28 -1.51 0.00 0.00 179.97 178.99 1s7a n LEU 58 N -4.31 2.22 0.28 3.80 4.77 -0.61 -4.04 117.00 119.10 1s7a n LEU 58 Ca -0.06 0.31 0.18 0.00 -0.03 0.00 0.00 56.01 56.41 1s7a n LEU 58 Cb 0.50 -1.01 0.90 0.00 -2.33 0.00 0.00 43.42 41.48 1s7a n LEU 58 CO 0.44 0.56 1.15 -1.13 -1.33 0.00 0.00 177.39 177.08 1s7a h ASN 59 N -0.54 0.00 0.23 -1.43 -1.24 -0.76 0.12 115.58 111.96 1s7a h ASN 59 Ca -0.42 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.59 1s7a h ASN 59 Cb 1.64 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.69 1s7a h ASN 59 CO -0.11 0.00 0.00 -1.14 -1.29 0.00 0.00 177.43 174.89 1s7a n ARG 60 N -3.27 0.11 0.00 6.67 0.63 -1.12 -4.53 116.66 115.16 1s7a n ARG 60 Ca -0.00 0.52 0.00 0.00 -0.92 0.00 0.00 57.85 57.45 1s7a n ARG 60 Cb 0.32 -1.81 0.00 0.00 0.45 0.00 0.00 32.46 31.42 1s7a n ARG 60 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1s7a n LEU 61 N -2.04 0.00 -4.95 6.15 7.94 0.39 -5.12 117.00 119.36 1s7a n LEU 61 Ca 0.00 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.61 1s7a n LEU 61 Cb 0.09 0.00 0.19 0.00 0.53 0.00 0.00 43.42 44.23 1s7a n LEU 61 CO 0.11 0.00 0.85 -0.89 -1.11 0.00 0.00 177.39 176.34 1s7a s THR 62 N 0.00 2.00 0.00 1.96 2.01 -1.10 -4.96 115.64 115.55 1s7a s THR 62 Ca 0.00 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 61.91 1s7a s THR 62 Cb 0.00 -2.91 0.00 0.00 0.01 0.00 0.00 72.50 69.60 1s7a s THR 62 CO 0.00 0.00 0.00 0.35 -0.69 0.00 0.00 174.62 174.28 1s7a n THR 63 N -3.71 0.00 -1.68 -0.82 -2.24 -1.26 -3.89 114.28 100.68 1s7a n THR 63 Ca 0.17 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.54 1s7a n THR 63 Cb 0.59 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 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 5.14 0.33 3.42 1.01 -1.26 -4.80 116.67 120.51 1s7a s ASP 64 Ca 0.00 1.41 0.17 0.00 0.71 0.00 0.00 52.55 54.84 1s7a s ASP 64 Cb 0.00 -2.51 1.15 0.00 1.01 0.00 0.00 42.92 42.57 1s7a s ASP 64 CO 0.00 -2.28 1.42 0.49 0.21 0.00 0.00 175.17 175.01 1s7a n PHE 65 N 13.05 0.99 -0.06 4.23 3.72 -1.26 0.97 117.46 139.11 1s7a n PHE 65 Ca 0.30 1.06 -0.14 0.00 -0.05 0.00 0.00 57.45 58.62 1s7a n PHE 65 Cb 0.49 -1.43 -0.06 0.00 -0.94 0.00 0.00 39.48 37.54 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 -0.11 4.37 2.35 -1.91 -0.85 115.58 120.10 1s7a h ASN 66 Ca 0.74 -0.54 -0.09 0.00 -0.55 0.00 0.00 56.30 55.85 1s7a h ASN 66 Cb 1.91 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 40.09 1s7a h ASN 66 CO -0.71 1.09 -0.29 0.58 -1.65 0.00 0.00 177.43 176.44 1s7a h VAL 67 N 0.28 1.38 -0.23 2.81 2.07 0.25 -0.61 116.25 122.19 1s7a h VAL 67 Ca 0.01 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 65.92 1s7a h VAL 67 Cb 0.97 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 1s7a h VAL 67 CO 0.08 0.47 0.09 -0.29 0.02 0.00 0.00 177.57 177.95 1s7a h ILE 68 N -0.02 1.17 -0.20 4.57 -0.00 -0.03 -2.67 117.51 120.32 1s7a h ILE 68 Ca -0.00 -0.51 -0.13 0.00 -0.00 0.00 0.00 64.86 64.22 1s7a h ILE 68 Cb 0.90 1.07 -0.01 0.00 -0.00 0.00 0.00 36.82 38.79 1s7a h ILE 68 CO 0.06 0.17 -0.41 1.62 -0.00 0.00 0.00 178.15 179.60 1s7a h VAL 69 N 0.22 1.30 -0.73 2.19 3.04 -1.21 -2.96 116.25 118.11 1s7a h VAL 69 Ca 0.08 -1.56 0.01 0.00 -1.01 0.00 0.00 66.70 64.22 1s7a h VAL 69 Cb 0.18 1.59 -0.04 0.00 -2.01 0.00 0.00 31.29 31.01 1s7a h VAL 69 CO -0.01 0.49 0.48 -0.08 -1.01 0.00 0.00 177.57 177.44 1s7a h GLU 70 N 0.39 0.93 -0.43 4.17 4.57 -0.89 -0.87 114.58 122.44 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 0.88 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 1s7a h GLU 70 CO 0.07 0.62 -0.24 0.00 -1.18 0.00 0.00 179.01 178.28 1s7a h ALA 71 N 1.55 0.76 0.00 2.92 0.00 -1.31 -2.91 119.26 120.27 1s7a h ALA 71 Ca 0.27 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1s7a h ALA 71 Cb -0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1s7a h ALA 71 CO -0.07 0.66 -0.54 -0.07 0.00 0.00 0.00 179.25 179.23 1s7a h LEU 72 N 0.77 0.00 0.00 0.00 3.38 -1.33 -2.60 115.31 115.52 1s7a h LEU 72 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1s7a h LEU 72 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1s7a h LEU 72 CO 0.07 0.54 0.00 -1.20 0.09 0.00 0.00 178.44 177.94 1s7a n SER 73 N -3.75 0.00 -0.01 -0.43 7.64 -0.39 -2.48 113.62 114.20 1s7a n SER 73 Ca -0.01 -0.03 0.03 0.00 1.01 0.00 0.00 58.87 59.87 1s7a n SER 73 Cb 0.58 -0.23 -0.05 0.00 -1.01 0.00 0.00 64.21 63.50 1s7a n SER 73 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1s7a n LYS 74 N -1.23 0.45 -1.12 1.43 4.76 -1.00 -5.03 118.16 116.41 1s7a n LYS 74 Ca 0.08 -0.05 -0.34 0.00 -2.87 0.00 0.00 58.31 55.12 1s7a n LYS 74 Cb 0.10 -1.15 0.11 0.00 -1.84 0.00 0.00 35.03 32.24 1s7a n LYS 74 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1s7a n SER 75 N -1.77 -0.16 -2.72 4.39 2.88 -1.04 -4.96 113.62 110.25 1s7a n SER 75 Ca -0.02 0.55 -0.01 0.00 -1.33 0.00 0.00 58.87 58.06 1s7a n SER 75 Cb 0.22 -1.37 0.09 0.00 -0.75 0.00 0.00 64.21 62.40 1s7a n SER 75 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1s7a n LYS 76 N -2.17 1.50 -0.51 -1.46 4.76 -1.26 -4.90 118.16 114.11 1s7a n LYS 76 Ca 0.11 -2.19 0.07 0.00 -2.87 0.00 0.00 58.31 53.44 1s7a n LYS 76 Cb 0.51 -0.43 0.28 0.00 -1.84 0.00 0.00 35.03 33.55 1s7a n LYS 76 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1s7a n ALA 77 N -1.12 3.06 -2.10 7.82 0.00 -1.26 -4.89 120.51 122.02 1s7a n ALA 77 Ca -0.07 -1.25 -0.01 0.00 0.00 0.00 0.00 53.44 52.10 1s7a n ALA 77 Cb 0.85 -1.04 -0.00 0.00 0.00 0.00 0.00 19.45 19.26 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 0.77 -2.41 0.00 0.00 4.71 -1.26 -4.69 120.64 117.76 1s7a n GLU 78 Ca 0.20 0.07 0.13 0.00 -0.01 0.00 0.00 57.16 57.55 1s7a n GLU 78 Cb 0.76 -4.45 0.39 0.00 -1.01 0.00 0.00 31.44 27.12 1s7a n GLU 78 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 1s7a n LEU 79 N -2.15 0.68 0.00 -4.62 -0.00 -1.26 -4.95 117.00 104.70 1s7a n LEU 79 Ca -0.02 -0.08 -0.02 0.00 -0.00 0.00 0.00 56.01 55.90 1s7a n LEU 79 Cb 0.39 -0.20 0.01 0.00 -0.00 0.00 0.00 43.42 43.62 1s7a n LEU 79 CO 0.02 0.14 0.40 0.23 -0.00 0.00 0.00 177.39 178.18 1s7a n MET 80 N -1.06 0.34 -3.68 1.47 2.81 -1.26 -4.50 117.12 111.24 1s7a n MET 80 Ca 0.10 -0.77 -0.27 0.00 -1.81 0.00 0.00 57.70 54.95 1s7a n MET 80 Cb 0.33 1.03 -0.16 0.00 -0.71 0.00 0.00 33.22 33.71 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 0.45 0.10 0.03 0.41 0.29 -4.55 118.70 113.40 1s7a s GLU 81 Ca 0.11 -0.39 -0.20 0.00 -0.41 0.00 0.00 54.97 54.09 1s7a s GLU 81 Cb -0.01 -1.94 -0.07 0.00 -1.78 0.00 0.00 34.13 30.33 1s7a s GLU 81 CO 0.03 -0.71 0.60 0.42 -0.49 0.00 0.00 175.26 175.11 1s7a s ILE 82 N 1.94 4.69 1.02 -1.63 1.09 -1.26 -2.38 121.20 124.67 1s7a s ILE 82 Ca 0.02 1.25 -0.12 0.00 -1.10 0.00 0.00 60.65 60.70 1s7a s ILE 82 Cb -0.17 -3.91 0.20 0.00 -1.06 0.00 0.00 42.46 37.52 1s7a s ILE 82 CO -0.12 0.51 1.08 -0.55 -0.10 0.00 0.00 174.94 175.75 1s7a s SER 83 N -1.19 2.23 0.12 3.58 0.15 -1.19 -4.92 113.70 112.48 1s7a s SER 83 Ca 0.31 1.59 0.26 0.00 0.70 0.00 0.00 55.95 58.82 1s7a s SER 83 Cb -0.19 -2.26 0.75 0.00 -1.71 0.00 0.00 66.02 62.61 1s7a s SER 83 CO 0.20 -3.43 1.66 -0.62 1.20 0.00 0.00 173.24 172.24 1s7a n GLU 84 N -4.41 0.19 0.07 5.44 1.02 -1.26 -3.39 120.64 118.29 1s7a n GLU 84 Ca 0.06 0.12 0.10 0.00 -0.02 0.00 0.00 57.16 57.42 1s7a n GLU 84 Cb 0.54 -1.68 0.43 0.00 -0.02 0.00 0.00 31.44 30.71 1s7a n GLU 84 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1s7a n ASP 85 N -1.99 0.36 -3.02 1.62 2.03 -1.26 -4.89 116.55 109.40 1s7a n ASP 85 Ca 0.05 0.58 -0.17 0.00 0.52 0.00 0.00 54.79 55.77 1s7a n ASP 85 Cb 0.40 -0.66 0.07 0.00 -0.72 0.00 0.00 41.12 40.21 1s7a n ASP 85 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1s7a n LYS 86 N -1.89 -6.05 -0.37 -0.67 4.76 -1.22 -4.89 118.16 107.83 1s7a n LYS 86 Ca 0.03 0.69 0.00 0.00 -2.87 0.00 0.00 58.31 56.16 1s7a n LYS 86 Cb 0.24 -5.27 0.00 0.00 -1.84 0.00 0.00 35.03 28.15 1s7a n LYS 86 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1s7a n THR 87 N -4.11 0.00 -3.47 -0.18 5.66 -1.26 -4.84 114.28 106.08 1s7a n THR 87 Ca -0.10 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.76 1s7a n THR 87 Cb 0.59 0.19 -0.04 0.00 -1.55 0.00 0.00 70.33 69.53 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 0.00 1.12 0.04 1.09 -2.85 -1.26 -3.39 119.74 114.49 1s7a s LYS 88 Ca 0.00 -0.17 0.03 0.00 -1.00 0.00 0.00 55.97 54.83 1s7a s LYS 88 Cb 0.00 0.52 -0.02 0.00 -2.06 0.00 0.00 37.83 36.27 1s7a s LYS 88 CO 0.00 -0.44 -0.09 0.96 0.10 0.00 0.00 175.35 175.88 1s7a s ILE 89 N -2.67 0.68 0.09 3.79 -4.36 0.53 -3.18 121.20 116.08 1s7a s ILE 89 Ca -0.03 -1.02 -0.13 0.00 -0.26 0.00 0.00 60.65 59.20 1s7a s ILE 89 Cb -0.01 -0.70 0.02 0.00 1.25 0.00 0.00 42.46 43.03 1s7a s ILE 89 CO -0.04 -0.27 0.32 -0.60 0.24 0.00 0.00 174.94 174.59 1s7a s ARG 90 N -1.42 0.93 0.02 0.37 3.52 -1.00 0.14 118.95 121.51 1s7a s ARG 90 Ca -0.06 -0.71 -0.20 0.00 -0.13 0.00 0.00 55.73 54.62 1s7a s ARG 90 Cb -0.09 0.40 -0.06 0.00 -1.56 0.00 0.00 34.95 33.64 1s7a s ARG 90 CO 0.01 -0.33 0.60 -0.98 -0.81 0.00 0.00 175.30 173.79 1s7a s ARG 91 N -3.44 4.30 -0.33 5.12 1.04 -1.26 0.10 118.95 124.48 1s7a s ARG 91 Ca 0.01 0.76 -0.28 0.00 -1.04 0.00 0.00 55.73 55.18 1s7a s ARG 91 Cb 0.02 -3.31 -0.04 0.00 -2.04 0.00 0.00 34.95 29.58 1s7a s ARG 91 CO -0.09 0.44 2.02 -1.12 -0.04 0.00 0.00 175.30 176.51 1s7a s SER 92 N -0.44 5.51 0.52 -2.89 0.01 -1.26 -4.66 113.70 110.49 1s7a s SER 92 Ca 0.31 1.40 0.25 0.00 1.31 0.00 0.00 55.95 59.23 1s7a s SER 92 Cb -0.19 -2.52 1.44 0.00 0.21 0.00 0.00 66.02 64.96 1s7a s SER 92 CO 0.18 -1.99 2.09 1.55 0.41 0.00 0.00 173.24 175.48 1s7a h PRO 93 N 14.61 0.00 0.00 12.44 0.13 -1.97 0.50 132.00 157.71 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 1.04 0.11 0.00 0.43 -0.23 0.00 0.00 178.00 179.34 1s7a n SER 94 N -3.81 0.00 -4.22 1.44 7.64 -1.26 -4.65 113.62 108.75 1s7a n SER 94 Ca -0.02 -0.29 -0.32 0.00 1.01 0.00 0.00 58.87 59.24 1s7a n SER 94 Cb 0.21 -0.22 -0.16 0.00 -1.01 0.00 0.00 64.21 63.02 1s7a n SER 94 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1s7a s LYS 95 N -2.44 3.09 0.57 1.43 -0.14 0.17 -5.10 119.74 117.31 1s7a s LYS 95 Ca 0.30 -0.84 -0.20 0.00 -1.36 0.00 0.00 55.97 53.87 1s7a s LYS 95 Cb 0.19 -2.41 -0.04 0.00 -1.68 0.00 0.00 37.83 33.88 1s7a s LYS 95 CO 0.40 0.10 1.25 -1.25 -0.76 0.00 0.00 175.35 175.10 1s7a s PRO 96 N 0.54 3.09 -0.18 -1.68 0.04 -1.26 -4.77 135.00 130.78 1s7a s PRO 96 Ca -0.13 1.96 0.01 0.00 0.04 0.00 0.00 61.00 62.88 1s7a s PRO 96 Cb -0.17 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.32 1s7a s PRO 96 CO 0.04 -1.15 -0.15 -0.48 0.04 0.00 0.00 177.00 175.31 1s7a s LEU 97 N -3.79 2.18 0.32 -3.56 0.05 -1.26 -5.08 118.68 107.53 1s7a s LEU 97 Ca 0.74 -0.75 -0.03 0.00 0.05 0.00 0.00 54.13 54.15 1s7a s LEU 97 Cb -0.34 -1.33 -0.04 0.00 -2.05 0.00 0.00 46.19 42.43 1s7a s LEU 97 CO 0.38 -0.08 0.56 -2.16 -0.55 0.00 0.00 176.35 174.50 1s7a s PRO 98 N 1.36 3.57 -0.20 1.48 0.04 -1.26 -4.92 135.00 135.07 1s7a s PRO 98 Ca 0.02 -0.10 -0.07 0.00 0.04 0.00 0.00 61.00 60.89 1s7a s PRO 98 Cb -0.15 -2.64 -0.03 0.00 0.04 0.00 0.00 34.50 31.72 1s7a s PRO 98 CO -0.10 0.17 0.04 -2.00 0.04 0.00 0.00 177.00 175.16 1s7a s GLU 99 N -3.86 3.79 -0.06 4.56 2.12 -1.26 -4.25 118.70 119.74 1s7a s GLU 99 Ca 0.43 -0.43 -0.14 0.00 0.36 0.00 0.00 54.97 55.19 1s7a s GLU 99 Cb -0.10 -3.19 -0.05 0.00 0.26 0.00 0.00 34.13 31.05 1s7a s GLU 99 CO 0.33 0.09 0.35 0.14 -0.54 0.00 0.00 175.26 175.63 1s7a s VAL 100 N 0.84 5.17 -0.18 3.70 -7.23 -1.26 -5.04 120.40 116.40 1s7a s VAL 100 Ca 0.03 0.70 -0.09 0.00 -1.81 0.00 0.00 61.98 60.81 1s7a s VAL 100 Cb -0.14 -3.66 -0.05 0.00 0.56 0.00 0.00 36.38 33.09 1s7a s VAL 100 CO 0.02 0.52 0.12 0.42 -0.31 0.00 0.00 175.10 175.87 1s7a s THR 101 N -0.57 5.28 0.22 5.32 -4.23 -1.26 -4.97 115.64 115.44 1s7a s THR 101 Ca 0.21 0.14 -0.11 0.00 -1.18 0.00 0.00 61.69 60.75 1s7a s THR 101 Cb -0.15 -3.39 -0.07 0.00 1.34 0.00 0.00 72.50 70.23 1s7a s THR 101 CO 0.10 0.47 0.57 1.51 -0.54 0.00 0.00 174.62 176.73 1s7a s ASP 102 N 0.13 6.68 0.00 3.99 -4.77 -1.26 -5.27 116.67 116.17 1s7a s ASP 102 Ca 0.08 0.99 0.00 0.00 -3.30 0.00 0.00 52.55 50.32 1s7a s ASP 102 Cb -0.11 -2.25 0.00 0.00 -1.09 0.00 0.00 42.92 39.46 1s7a s ASP 102 CO -0.01 -0.05 0.00 -1.84 0.70 0.00 0.00 175.17 173.97