#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 -2.43 -0.49 3.17 0.00 -1.26 -4.92 120.51 114.58 1s7a n ALA 2 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1s7a n ALA 2 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1s7a n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1s7a n GLU 3 N -3.44 0.00 -0.05 0.00 4.71 -1.26 -4.69 120.64 115.92 1s7a n GLU 3 Ca 0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.13 1s7a n GLU 3 Cb 0.43 0.00 0.03 0.00 -1.01 0.00 0.00 31.44 30.89 1s7a n GLU 3 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1s7a n ASN 4 N -3.51 -1.80 0.00 1.62 0.23 -1.26 -5.05 115.26 105.49 1s7a n ASN 4 Ca 0.00 -0.09 0.00 0.00 -0.53 0.00 0.00 54.58 53.96 1s7a n ASN 4 Cb 0.00 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 37.58 1s7a n ASN 4 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1s7a n GLY 5 N -0.49 0.53 1.38 4.83 0.00 -1.26 -5.04 105.19 105.14 1s7a n GLY 5 Ca 0.01 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1s7a n GLY 5 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s7a n ASP 6 N 0.00 -7.39 0.06 1.61 -0.08 -1.26 -5.04 116.55 104.44 1s7a n ASP 6 Ca 0.00 0.98 0.00 0.00 -1.51 0.00 0.00 54.79 54.26 1s7a n ASP 6 Cb 0.00 -3.45 0.00 0.00 2.34 0.00 0.00 41.12 40.01 1s7a n ASP 6 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1s7a n ASN 7 N 0.35 -0.14 0.03 1.67 4.05 -1.26 -4.78 115.26 115.18 1s7a n ASN 7 Ca 0.00 0.20 -0.12 0.00 0.45 0.00 0.00 54.58 55.11 1s7a n ASN 7 Cb 0.00 0.23 -0.08 0.00 1.23 0.00 0.00 39.78 41.17 1s7a n ASN 7 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 1s7a h GLU 8 N 0.00 -0.01 -0.73 1.20 4.39 -2.00 -2.28 114.58 115.16 1s7a h GLU 8 Ca 0.00 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.80 1s7a h GLU 8 Cb 0.00 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.58 1s7a h GLU 8 CO 0.00 0.10 0.35 -0.22 -1.16 0.00 0.00 179.01 178.08 1s7a h LYS 9 N -0.11 0.56 -0.66 2.33 3.64 -2.00 -0.20 116.57 120.14 1s7a h LYS 9 Ca -0.00 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1s7a h LYS 9 Cb 0.11 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1s7a h LYS 9 CO 0.00 0.37 0.41 1.98 -2.27 0.00 0.00 179.45 179.94 1s7a h MET 10 N 0.58 0.88 0.22 1.90 4.05 -1.80 0.26 114.93 121.02 1s7a h MET 10 Ca 0.37 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.72 1s7a h MET 10 Cb 0.42 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.02 1s7a h MET 10 CO -0.29 0.61 -0.16 0.00 0.23 0.00 0.00 176.91 177.29 1s7a h ALA 11 N 1.55 -0.37 -0.09 0.39 0.00 -0.46 0.27 119.26 120.56 1s7a h ALA 11 Ca 0.24 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 1s7a h ALA 11 Cb -0.06 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1s7a h ALA 11 CO -0.05 -0.72 -0.55 0.00 0.00 0.00 0.00 179.25 177.94 1s7a h ALA 12 N 0.37 0.91 -0.05 0.00 0.00 -1.19 -2.93 119.26 116.36 1s7a h ALA 12 Ca -0.01 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 1s7a h ALA 12 Cb 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1s7a h ALA 12 CO -0.01 0.69 -0.36 1.25 0.00 0.00 0.00 179.25 180.83 1s7a h LEU 13 N 0.20 0.10 -0.41 0.00 6.46 -0.08 -2.91 115.31 118.68 1s7a h LEU 13 Ca 0.00 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1s7a h LEU 13 Cb 1.03 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.91 1s7a h LEU 13 CO 0.09 0.46 0.27 -0.08 -0.62 0.00 0.00 178.44 178.55 1s7a h GLU 14 N 0.09 0.53 -0.70 1.25 4.81 -0.27 -2.00 114.58 118.29 1s7a h GLU 14 Ca 0.01 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1s7a h GLU 14 Cb 0.68 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 1s7a h GLU 14 CO 0.05 0.35 0.14 0.00 -0.73 0.00 0.00 179.01 178.82 1s7a h ALA 15 N 1.15 0.94 -0.99 2.92 0.00 -1.59 -2.70 119.26 118.99 1s7a h ALA 15 Ca 0.15 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1s7a h ALA 15 Cb -0.06 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.41 1s7a h ALA 15 CO -0.03 0.67 0.65 0.87 0.00 0.00 0.00 179.25 181.40 1s7a h LYS 16 N 1.06 1.20 -0.44 0.00 1.79 -1.27 -1.74 116.57 117.17 1s7a h LYS 16 Ca 0.22 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 1s7a h LYS 16 Cb 0.41 -0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 1s7a h LYS 16 CO 0.01 0.79 0.23 0.82 -1.08 0.00 0.00 179.45 180.22 1s7a h ILE 17 N 1.23 1.17 -0.75 1.86 2.04 -1.05 -2.24 117.51 119.78 1s7a h ILE 17 Ca 0.40 -0.44 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 1s7a h ILE 17 Cb 0.03 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 1s7a h ILE 17 CO -0.13 0.18 0.32 0.00 0.00 0.00 0.00 178.15 178.51 1s7a h HIS 19 N 1.07 0.81 -0.06 0.00 3.86 -0.94 -1.29 115.15 118.61 1s7a h HIS 19 Ca 0.25 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1s7a h HIS 19 Cb 0.18 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.39 1s7a h HIS 19 CO 0.02 0.62 0.02 1.96 0.86 0.00 0.00 177.93 181.40 1s7a h GLN 20 N 0.81 0.09 -0.66 2.45 1.08 -0.90 -1.66 115.11 116.32 1s7a h GLN 20 Ca 0.20 -0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.42 1s7a h GLN 20 Cb 0.13 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.51 1s7a h GLN 20 CO -0.02 0.23 0.44 0.82 -0.95 0.00 0.00 178.83 179.35 1s7a h ILE 21 N -0.08 1.06 -0.45 2.54 1.08 -1.28 0.94 117.51 121.33 1s7a h ILE 21 Ca 0.02 -0.26 -0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1s7a h ILE 21 Cb 0.18 0.25 -0.02 0.00 -3.07 0.00 0.00 36.82 34.16 1s7a h ILE 21 CO -0.00 0.14 0.27 -0.33 -0.69 0.00 0.00 178.15 177.54 1s7a h GLU 22 N 0.75 0.60 -0.49 2.37 4.39 -0.55 -0.91 114.58 120.75 1s7a h GLU 22 Ca 0.27 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.92 1s7a h GLU 22 Cb 0.14 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1s7a h GLU 22 CO -0.08 0.42 0.28 -0.92 -1.16 0.00 0.00 179.01 177.56 1s7a h TYR 23 N 0.62 0.65 0.12 4.33 3.20 0.09 5.87 116.97 131.85 1s7a h TYR 23 Ca 0.16 -0.01 -0.30 0.00 3.14 0.00 0.00 58.73 61.73 1s7a h TYR 23 Cb -0.03 -0.21 0.03 0.00 1.54 0.00 0.00 36.73 38.06 1s7a h TYR 23 CO 0.00 0.47 -1.24 1.88 -1.64 0.00 0.00 178.16 177.63 1s7a h TYR 24 N 0.65 0.95 0.00 -3.82 0.05 -1.41 -2.96 116.97 110.43 1s7a h TYR 24 Ca 0.17 -0.60 -0.04 0.00 0.05 0.00 0.00 58.73 58.30 1s7a h TYR 24 Cb 0.02 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.68 1s7a h TYR 24 CO -0.02 1.45 -1.67 1.19 -1.05 0.00 0.00 178.16 178.05 1s7a n PHE 25 N -3.76 0.00 -0.36 4.88 3.72 -0.39 -2.71 117.46 118.85 1s7a n PHE 25 Ca -0.13 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.26 1s7a n PHE 25 Cb 0.99 -0.37 0.04 0.00 -0.94 0.00 0.00 39.48 39.20 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 1.82 -1.89 0.00 1.37 0.00 1.90 -4.70 105.19 103.69 1s7a n GLY 26 Ca -0.06 1.03 0.00 0.00 0.00 0.00 0.00 46.02 46.99 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 -5.37 0.00 0.02 1.61 2.03 -1.25 -5.01 116.55 108.57 1s7a n ASP 27 Ca 0.10 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.23 1s7a n ASP 27 Cb 0.38 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.64 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 0.39 -0.01 -0.67 3.04 -1.83 -3.34 116.94 114.53 1s7a h PHE 28 Ca 0.00 -0.28 -0.20 0.00 3.98 0.00 0.00 57.97 61.47 1s7a h PHE 28 Cb 0.00 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.49 1s7a h PHE 28 CO 0.00 1.22 -0.87 -0.91 -2.02 0.00 0.00 178.31 175.73 1s7a h ASN 29 N -0.55 0.32 -0.45 0.41 -0.26 -1.61 -3.31 115.58 110.14 1s7a h ASN 29 Ca -0.10 -0.25 0.04 0.00 -0.56 0.00 0.00 56.30 55.42 1s7a h ASN 29 Cb 1.45 -0.10 -0.04 0.00 -1.06 0.00 0.00 38.32 38.57 1s7a h ASN 29 CO 0.11 1.05 0.22 -0.07 -1.06 0.00 0.00 177.43 177.68 1s7a h LEU 30 N 0.14 0.32 -2.50 1.61 3.38 -1.66 1.93 115.31 118.53 1s7a h LEU 30 Ca -0.05 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1s7a h LEU 30 Cb 1.49 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.21 1s7a h LEU 30 CO 0.14 0.22 0.02 -0.65 0.09 0.00 0.00 178.44 178.26 1s7a h PRO 31 N 0.44 0.00 -0.83 1.13 0.11 -1.68 -3.24 132.00 127.94 1s7a h PRO 31 Ca 0.20 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.97 1s7a h PRO 31 Cb 0.11 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 30.93 1s7a h PRO 31 CO -0.14 0.00 -0.86 0.54 -0.21 0.00 0.00 178.00 177.33 1s7a n ARG 32 N -3.77 1.09 -3.39 1.05 5.12 -0.14 -5.06 116.66 111.56 1s7a n ARG 32 Ca -0.03 -2.70 -0.45 0.00 -1.93 0.00 0.00 57.85 52.75 1s7a n ARG 32 Cb 0.10 -1.04 -0.05 0.00 -1.16 0.00 0.00 32.46 30.31 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 -2.14 6.17 -0.02 0.55 1.11 0.64 -4.87 116.67 118.11 1s7a s ASP 33 Ca 0.28 -2.10 -0.22 0.00 0.18 0.00 0.00 52.55 50.70 1s7a s ASP 33 Cb 0.39 -2.15 -0.23 0.00 1.07 0.00 0.00 42.92 42.00 1s7a s ASP 33 CO -0.04 -0.73 1.08 0.11 1.18 0.00 0.00 175.17 176.78 1s7a h LYS 34 N 8.42 0.32 -0.29 8.23 1.79 -1.94 -2.39 116.57 130.71 1s7a h LYS 34 Ca -0.17 -0.32 -0.12 0.00 -2.18 0.00 0.00 60.65 57.86 1s7a h LYS 34 Cb 1.07 0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1s7a h LYS 34 CO 0.91 1.01 -0.29 0.27 -1.08 0.00 0.00 179.45 180.28 1s7a h PHE 35 N -0.25 0.85 -0.68 -1.35 -5.15 -1.98 -2.66 116.94 105.71 1s7a h PHE 35 Ca -0.05 -0.25 -0.03 0.00 -0.20 0.00 0.00 57.97 57.44 1s7a h PHE 35 Cb 1.16 -0.18 -0.03 0.00 0.22 0.00 0.00 35.95 37.12 1s7a h PHE 35 CO 0.16 1.00 0.31 1.25 -2.00 0.00 0.00 178.31 179.02 1s7a h LEU 36 N 0.45 0.89 -1.27 2.10 7.12 -1.96 -1.55 115.31 121.08 1s7a h LEU 36 Ca 0.05 -0.10 -0.04 0.00 0.13 0.00 0.00 57.88 57.91 1s7a h LEU 36 Cb 0.86 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 40.74 1s7a h LEU 36 CO 0.07 0.77 0.01 0.11 -0.13 0.00 0.00 178.44 179.27 1s7a h LYS 37 N 0.97 0.51 -0.09 1.25 1.79 -1.31 0.76 116.57 120.45 1s7a h LYS 37 Ca 0.23 -0.10 -0.06 0.00 -2.18 0.00 0.00 60.65 58.55 1s7a h LYS 37 Cb 0.13 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1s7a h LYS 37 CO -0.03 0.52 -0.16 0.93 -1.08 0.00 0.00 179.45 179.63 1s7a h GLU 38 N 0.49 0.27 -0.10 3.15 5.08 -0.98 0.57 114.58 123.07 1s7a h GLU 38 Ca 0.11 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1s7a h GLU 38 Cb 0.30 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1s7a h GLU 38 CO 0.01 0.75 -0.19 1.96 -1.00 0.00 0.00 179.01 180.54 1s7a h GLN 39 N -0.18 0.30 -0.80 2.33 7.50 -1.07 -0.72 115.11 122.48 1s7a h GLN 39 Ca 0.01 -0.19 -0.02 0.00 0.50 0.00 0.00 58.65 58.94 1s7a h GLN 39 Cb 0.74 0.02 -0.04 0.00 0.05 0.00 0.00 27.48 28.25 1s7a h GLN 39 CO 0.04 0.78 0.43 0.97 -1.50 0.00 0.00 178.83 179.54 1s7a h ILE 40 N -0.14 1.24 0.00 2.54 2.10 0.47 -1.93 117.51 121.79 1s7a h ILE 40 Ca 0.01 -0.61 -0.09 0.00 1.08 0.00 0.00 64.86 65.25 1s7a h ILE 40 Cb 0.77 0.17 -0.01 0.00 -1.09 0.00 0.00 36.82 36.65 1s7a h ILE 40 CO 0.04 0.27 -0.43 0.50 -1.08 0.00 0.00 178.15 177.46 1s7a h LYS 41 N 1.12 0.00 0.00 2.19 1.63 -0.83 0.54 116.57 121.22 1s7a h LYS 41 Ca 0.28 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.08 1s7a h LYS 41 Cb 0.04 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 1s7a h LYS 41 CO -0.04 0.43 0.00 -0.11 -3.45 0.00 0.00 179.45 176.27 1s7a n LEU 42 N -3.47 0.00 0.00 5.20 0.00 -0.28 -4.72 117.00 113.72 1s7a n LEU 42 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 56.01 56.67 1s7a n LEU 42 Cb 0.57 -0.16 0.00 0.00 0.00 0.00 0.00 43.42 43.83 1s7a n LEU 42 CO 0.38 -0.16 0.00 -0.67 0.00 0.00 0.00 177.39 176.94 1s7a n ASP 43 N -1.38 0.00 -1.59 1.96 -0.08 -1.25 -4.90 116.55 109.31 1s7a n ASP 43 Ca 0.00 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.23 1s7a n ASP 43 Cb 0.00 0.00 0.25 0.00 2.34 0.00 0.00 41.12 43.71 1s7a n ASP 43 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1s7a n GLU 44 N 0.00 2.81 0.00 -0.67 2.13 -1.26 -4.85 120.64 118.81 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 -2.03 0.00 0.00 0.27 0.00 0.00 31.44 29.68 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 -0.66 1.13 3.66 8.31 0.00 0.19 -4.97 105.19 112.86 1s7a n GLY 45 Ca 0.38 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.26 1.94 -0.05 1.61 0.23 -1.26 -4.14 118.94 115.01 1s7a s TRP 46 Ca 0.00 0.13 0.05 0.00 -2.03 0.00 0.00 56.10 54.26 1s7a s TRP 46 Cb 0.00 -3.95 -0.02 0.00 0.03 0.00 0.00 33.47 29.53 1s7a s TRP 46 CO 0.00 -4.03 -0.20 0.08 0.96 0.00 0.00 176.95 173.76 1s7a s VAL 47 N 3.95 2.56 0.24 4.03 1.01 0.14 -4.72 120.40 127.62 1s7a s VAL 47 Ca 0.75 -0.90 -0.18 0.00 0.00 0.00 0.00 61.98 61.65 1s7a s VAL 47 Cb -0.35 -1.97 -0.08 0.00 0.00 0.00 0.00 36.38 33.98 1s7a s VAL 47 CO 0.31 0.58 0.72 -2.16 0.00 0.00 0.00 175.10 174.55 1s7a s PRO 48 N -0.49 4.18 0.00 2.72 0.04 -1.26 0.20 135.00 140.40 1s7a s PRO 48 Ca 0.06 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.91 1s7a s PRO 48 Cb -0.12 -2.78 0.01 0.00 0.04 0.00 0.00 34.50 31.65 1s7a s PRO 48 CO 0.01 0.34 0.50 1.28 0.04 0.00 0.00 177.00 179.17 1s7a n LEU 49 N 0.47 0.00 -0.17 -3.56 4.77 -1.21 -2.66 117.00 114.64 1s7a n LEU 49 Ca -0.01 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.90 1s7a n LEU 49 Cb 0.52 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.63 1s7a n LEU 49 CO 0.43 0.00 1.07 1.05 -1.33 0.00 0.00 177.39 178.61 1s7a h GLU 50 N 0.00 0.63 -0.52 3.23 4.11 -1.91 2.52 114.58 122.64 1s7a h GLU 50 Ca 0.00 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 59.36 1s7a h GLU 50 Cb 0.00 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 1s7a h GLU 50 CO 0.00 0.42 0.20 0.82 0.07 0.00 0.00 179.01 180.52 1s7a h ILE 51 N 0.65 1.19 0.10 -1.06 2.04 -1.92 -1.64 117.51 116.87 1s7a h ILE 51 Ca 0.19 -0.61 -0.22 0.00 1.00 0.00 0.00 64.86 65.23 1s7a h ILE 51 Cb -0.04 0.58 0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1s7a h ILE 51 CO -0.06 0.24 -0.91 0.24 0.00 0.00 0.00 178.15 177.65 1s7a h MET 52 N 0.74 0.44 0.00 2.37 2.86 -1.37 -1.60 114.93 118.37 1s7a h MET 52 Ca 0.18 -0.61 0.00 0.00 -2.06 0.00 0.00 59.70 57.21 1s7a h MET 52 Cb 0.16 0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1s7a h MET 52 CO -0.02 1.25 0.00 -0.89 1.06 0.00 0.00 176.91 178.32 1s7a n ILE 53 N -4.04 1.02 0.00 -1.22 -0.00 0.83 -2.38 119.36 113.58 1s7a n ILE 53 Ca -0.13 0.25 0.02 0.00 -0.00 0.00 0.00 62.75 62.89 1s7a n ILE 53 Cb 0.84 -1.09 -0.02 0.00 -0.00 0.00 0.00 39.64 39.36 1s7a n ILE 53 CO 0.00 0.00 0.00 2.29 -0.00 0.00 0.00 176.55 178.84 1s7a n LYS 54 N -1.37 0.27 -1.92 0.38 -0.00 -0.65 -4.13 118.16 110.74 1s7a n LYS 54 Ca 0.04 -0.03 -0.41 0.00 -0.00 0.00 0.00 58.31 57.91 1s7a n LYS 54 Cb 0.09 -1.06 -0.02 0.00 -0.00 0.00 0.00 35.03 34.04 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 -2.19 2.87 0.64 5.58 0.08 -0.61 -4.63 117.98 119.73 1s7a s PHE 55 Ca -0.01 1.02 0.34 0.00 0.12 0.00 0.00 56.93 58.40 1s7a s PHE 55 Cb 0.02 -3.91 1.88 0.00 -0.57 0.00 0.00 43.02 40.43 1s7a s PHE 55 CO 0.13 -2.92 2.11 -0.91 -0.10 0.00 0.00 175.22 173.53 1s7a h ASN 56 N 4.46 0.00 -0.21 1.36 2.35 -1.91 0.63 115.58 122.27 1s7a h ASN 56 Ca -0.47 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.15 1s7a h ASN 56 Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.59 1s7a h ASN 56 CO 0.75 0.00 -0.37 -0.09 -1.65 0.00 0.00 177.43 176.06 1s7a h ARG 57 N 0.00 0.62 0.00 0.81 2.43 -1.89 -3.23 114.38 113.13 1s7a h ARG 57 Ca 0.03 -0.39 -0.31 0.00 -0.81 0.00 0.00 59.98 58.51 1s7a h ARG 57 Cb 0.44 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.98 1s7a h ARG 57 CO -0.00 1.00 -2.11 -0.11 -1.51 0.00 0.00 179.97 177.24 1s7a n LEU 58 N -4.26 2.47 0.27 3.80 0.00 -0.62 -4.43 117.00 114.24 1s7a n LEU 58 Ca -0.06 0.01 0.18 0.00 0.00 0.00 0.00 56.01 56.15 1s7a n LEU 58 Cb 0.52 -0.65 0.90 0.00 0.00 0.00 0.00 43.42 44.19 1s7a n LEU 58 CO 0.45 0.69 1.15 -1.13 0.00 0.00 0.00 177.39 178.56 1s7a h ASN 59 N -0.24 0.00 -0.25 1.96 -0.73 0.49 0.38 115.58 117.18 1s7a h ASN 59 Ca -0.46 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.71 1s7a h ASN 59 Cb 1.59 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.18 1s7a h ASN 59 CO -0.15 0.00 0.00 -1.14 -0.37 0.00 0.00 177.43 175.77 1s7a n ARG 60 N -3.28 1.62 0.00 6.67 0.00 -1.22 -4.60 116.66 115.85 1s7a n ARG 60 Ca -0.00 -0.95 0.00 0.00 -0.00 0.00 0.00 57.85 56.89 1s7a n ARG 60 Cb 0.33 -1.23 0.00 0.00 0.00 0.00 0.00 32.46 31.56 1s7a n ARG 60 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1s7a n LEU 61 N 0.26 0.00 0.00 6.15 -0.00 0.13 -5.07 117.00 118.47 1s7a n LEU 61 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.11 1s7a n LEU 61 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.65 1s7a n LEU 61 CO 0.07 -0.10 0.00 0.41 -0.00 0.00 0.00 177.39 177.77 1s7a n THR 62 N -1.30 0.00 -0.83 1.96 -1.04 -1.05 -4.96 114.28 107.05 1s7a n THR 62 Ca 0.00 0.25 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1s7a n THR 62 Cb 0.00 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.30 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 -2.06 0.00 -2.78 12.58 -1.04 -1.25 -4.94 114.28 114.79 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 -0.17 -0.04 0.00 -1.82 0.00 0.00 70.33 68.30 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 -2.66 6.31 0.28 8.00 1.11 -1.26 -4.87 116.67 123.58 1s7a s ASP 64 Ca 0.00 -0.39 0.01 0.00 0.18 0.00 0.00 52.55 52.35 1s7a s ASP 64 Cb 0.00 -2.46 0.67 0.00 1.07 0.00 0.00 42.92 42.20 1s7a s ASP 64 CO 0.00 -1.34 1.66 -0.26 1.18 0.00 0.00 175.17 176.41 1s7a h PHE 65 N 9.44 0.38 -0.20 4.23 0.04 -1.96 2.08 116.94 130.95 1s7a h PHE 65 Ca -0.27 0.05 -0.13 0.00 2.80 0.00 0.00 57.97 60.43 1s7a h PHE 65 Cb 1.07 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.19 1s7a h PHE 65 CO 0.95 -0.17 -0.36 -0.91 -0.60 0.00 0.00 178.31 177.22 1s7a h ASN 66 N 0.25 0.67 -0.18 2.17 2.35 -1.92 -1.18 115.58 117.73 1s7a h ASN 66 Ca 0.53 -0.54 -0.13 0.00 -0.55 0.00 0.00 56.30 55.61 1s7a h ASN 66 Cb 1.04 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.22 1s7a h ASN 66 CO -0.61 1.08 -0.39 0.58 -1.65 0.00 0.00 177.43 176.43 1s7a h VAL 67 N 0.28 1.34 -0.25 2.81 2.07 -1.37 -1.57 116.25 119.56 1s7a h VAL 67 Ca 0.01 -1.64 -0.02 0.00 0.82 0.00 0.00 66.70 65.87 1s7a h VAL 67 Cb 0.96 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 1s7a h VAL 67 CO 0.08 0.50 0.07 -0.29 0.02 0.00 0.00 177.57 177.96 1s7a h ILE 68 N 0.24 1.20 -0.22 4.57 -0.00 0.32 -2.91 117.51 120.71 1s7a h ILE 68 Ca 0.00 -0.65 -0.11 0.00 -0.00 0.00 0.00 64.86 64.10 1s7a h ILE 68 Cb 1.00 1.16 -0.01 0.00 -0.00 0.00 0.00 36.82 38.96 1s7a h ILE 68 CO 0.09 0.21 -0.34 -0.37 -0.00 0.00 0.00 178.15 177.73 1s7a h VAL 69 N 0.23 1.29 -0.94 2.19 -1.51 -1.27 -2.97 116.25 113.26 1s7a h VAL 69 Ca 0.08 -1.44 0.05 0.00 -1.23 0.00 0.00 66.70 64.15 1s7a h VAL 69 Cb 0.25 1.50 -0.06 0.00 -2.13 0.00 0.00 31.29 30.85 1s7a h VAL 69 CO -0.00 0.45 0.62 -0.08 -1.23 0.00 0.00 177.57 177.33 1s7a h GLU 70 N 0.40 1.11 -0.25 5.19 4.57 -1.12 0.06 114.58 124.54 1s7a h GLU 70 Ca 0.05 -0.07 -0.11 0.00 -1.18 0.00 0.00 59.36 58.05 1s7a h GLU 70 Cb 0.80 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 1s7a h GLU 70 CO 0.06 0.74 -0.32 0.00 -1.18 0.00 0.00 179.01 178.31 1s7a h ALA 71 N 1.47 0.99 -0.07 2.92 0.00 -1.36 -2.95 119.26 120.25 1s7a h ALA 71 Ca 0.39 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1s7a h ALA 71 Cb 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1s7a h ALA 71 CO -0.13 0.60 -0.71 -0.07 0.00 0.00 0.00 179.25 178.94 1s7a h LEU 72 N 0.44 0.41 -1.73 0.00 3.38 -1.22 -2.72 115.31 113.87 1s7a h LEU 72 Ca 0.05 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1s7a h LEU 72 Cb 0.77 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1s7a h LEU 72 CO 0.06 0.99 0.31 0.28 0.09 0.00 0.00 178.44 180.17 1s7a h SER 73 N 0.24 0.00 0.00 -0.43 0.02 -0.84 0.38 113.55 112.92 1s7a h SER 73 Ca -0.02 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1s7a h SER 73 Cb 1.27 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.81 1s7a h SER 73 CO 0.12 0.00 -1.57 0.29 -1.14 0.00 0.00 176.83 174.53 1s7a n LYS 74 N -2.68 0.55 -1.08 3.45 4.76 -1.12 -5.02 118.16 117.04 1s7a n LYS 74 Ca -0.02 -0.10 -0.34 0.00 -2.87 0.00 0.00 58.31 54.98 1s7a n LYS 74 Cb 0.35 -1.28 0.11 0.00 -1.84 0.00 0.00 35.03 32.37 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 -1.97 -0.26 -2.69 4.39 3.41 0.12 -4.97 113.62 111.65 1s7a n SER 75 Ca -0.04 0.53 -0.07 0.00 -0.26 0.00 0.00 58.87 59.03 1s7a n SER 75 Cb 0.37 -1.36 0.10 0.00 -0.26 0.00 0.00 64.21 63.06 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 -2.25 1.22 -0.40 4.33 0.00 -1.26 -4.93 118.16 114.85 1s7a n LYS 76 Ca 0.11 -2.04 0.06 0.00 0.00 0.00 0.00 58.31 56.44 1s7a n LYS 76 Cb 0.51 -0.23 0.22 0.00 0.00 0.00 0.00 35.03 35.53 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 -0.59 2.93 -2.66 3.14 0.00 -1.26 -4.97 120.51 117.11 1s7a n ALA 77 Ca -0.02 -0.99 -0.18 0.00 0.00 0.00 0.00 53.44 52.25 1s7a n ALA 77 Cb 0.85 -1.03 0.02 0.00 0.00 0.00 0.00 19.45 19.29 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 0.57 -0.93 0.00 0.00 -0.58 -1.26 -4.87 120.64 113.58 1s7a n GLU 78 Ca 0.16 0.84 0.00 0.00 -0.42 0.00 0.00 57.16 57.74 1s7a n GLU 78 Cb 0.63 -1.15 0.00 0.00 -0.57 0.00 0.00 31.44 30.35 1s7a n GLU 78 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 1s7a n LEU 79 N 0.32 0.00 0.00 -4.62 -0.00 -1.26 -5.15 117.00 106.29 1s7a n LEU 79 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 55.96 1s7a n LEU 79 Cb 0.44 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.87 1s7a n LEU 79 CO 0.25 0.12 0.40 1.15 -0.00 0.00 0.00 177.39 179.31 1s7a n MET 80 N 0.00 0.27 -4.18 1.47 0.00 -1.26 -4.51 117.12 108.92 1s7a n MET 80 Ca 0.00 -0.64 -0.16 0.00 0.00 0.00 0.00 57.70 56.89 1s7a n MET 80 Cb 0.17 0.89 -0.12 0.00 0.00 0.00 0.00 33.22 34.16 1s7a n MET 80 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1s7a s GLU 81 N -2.02 0.69 0.02 3.17 8.01 -1.05 -4.91 118.70 122.61 1s7a s GLU 81 Ca 0.11 -0.73 0.07 0.00 0.01 0.00 0.00 54.97 54.43 1s7a s GLU 81 Cb -0.01 -0.60 -0.03 0.00 -4.31 0.00 0.00 34.13 29.18 1s7a s GLU 81 CO 0.02 0.14 -0.21 0.42 0.01 0.00 0.00 175.26 175.64 1s7a s ILE 82 N -1.06 2.55 1.25 -1.63 1.09 -1.26 -2.59 121.20 119.54 1s7a s ILE 82 Ca -0.04 -1.15 -0.21 0.00 -1.10 0.00 0.00 60.65 58.16 1s7a s ILE 82 Cb -0.08 -2.01 0.32 0.00 -1.06 0.00 0.00 42.46 39.63 1s7a s ILE 82 CO 0.01 0.43 0.73 -1.54 -0.10 0.00 0.00 174.94 174.47 1s7a n SER 83 N 1.89 -3.86 0.07 3.58 3.41 -1.25 -4.88 113.62 112.58 1s7a n SER 83 Ca -0.16 -0.74 0.13 0.00 -0.26 0.00 0.00 58.87 57.84 1s7a n SER 83 Cb 0.52 -0.85 0.38 0.00 -0.26 0.00 0.00 64.21 64.00 1s7a n SER 83 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1s7a n GLU 84 N -5.13 0.20 0.00 4.33 1.02 -1.26 -3.28 120.64 116.52 1s7a n GLU 84 Ca 0.12 0.12 0.12 0.00 -0.02 0.00 0.00 57.16 57.51 1s7a n GLU 84 Cb 0.51 -1.69 0.32 0.00 -0.02 0.00 0.00 31.44 30.56 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 0.68 -2.67 1.62 9.92 -1.26 -4.95 116.55 117.87 1s7a n ASP 85 Ca 0.05 -0.48 -0.16 0.00 -0.53 0.00 0.00 54.79 53.68 1s7a n ASP 85 Cb 0.41 0.17 0.06 0.00 -0.64 0.00 0.00 41.12 41.12 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 -1.16 -5.35 -2.00 -1.24 5.02 -1.20 -4.93 118.16 107.29 1s7a n LYS 86 Ca 0.08 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 1s7a n LYS 86 Cb 0.34 -4.87 0.03 0.00 -0.02 0.00 0.00 35.03 30.51 1s7a n LYS 86 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1s7a n THR 87 N -3.99 0.41 -3.48 -0.18 5.66 -1.26 -4.62 114.28 106.82 1s7a n THR 87 Ca -0.05 -1.46 -0.14 0.00 -3.05 0.00 0.00 64.05 59.36 1s7a n THR 87 Cb 0.56 1.02 -0.04 0.00 -1.55 0.00 0.00 70.33 70.32 1s7a n THR 87 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1s7a s LYS 88 N -1.21 1.11 0.05 1.09 2.20 -1.25 -3.35 119.74 118.38 1s7a s LYS 88 Ca 0.23 -0.14 0.03 0.00 -0.36 0.00 0.00 55.97 55.73 1s7a s LYS 88 Cb 0.31 0.52 -0.02 0.00 -1.51 0.00 0.00 37.83 37.13 1s7a s LYS 88 CO -0.10 -0.43 -0.10 0.96 -0.36 0.00 0.00 175.35 175.33 1s7a s ILE 89 N -2.56 0.70 0.09 5.43 -4.36 0.55 -3.79 121.20 117.26 1s7a s ILE 89 Ca -0.03 -1.09 -0.13 0.00 -0.26 0.00 0.00 60.65 59.14 1s7a s ILE 89 Cb -0.01 -0.73 0.02 0.00 1.25 0.00 0.00 42.46 43.00 1s7a s ILE 89 CO -0.03 -0.30 0.31 0.00 0.24 0.00 0.00 174.94 175.16 1s7a s ARG 90 N -1.52 0.93 -0.10 0.37 1.04 -1.07 0.29 118.95 118.89 1s7a s ARG 90 Ca -0.07 -0.73 -0.12 0.00 -1.04 0.00 0.00 55.73 53.77 1s7a s ARG 90 Cb -0.09 0.40 -0.05 0.00 -2.04 0.00 0.00 34.95 33.17 1s7a s ARG 90 CO 0.01 -0.33 0.29 0.50 -0.04 0.00 0.00 175.30 175.73 1s7a s ARG 91 N -3.48 3.93 -0.49 3.89 3.52 -1.26 -2.52 118.95 122.54 1s7a s ARG 91 Ca 0.01 0.13 -0.28 0.00 -0.13 0.00 0.00 55.73 55.46 1s7a s ARG 91 Cb 0.02 -3.30 0.01 0.00 -1.56 0.00 0.00 34.95 30.13 1s7a s ARG 91 CO -0.09 0.53 1.41 -1.12 -0.81 0.00 0.00 175.30 175.22 1s7a s SER 92 N -0.43 6.23 0.55 -2.12 0.01 -1.26 -4.83 113.70 111.86 1s7a s SER 92 Ca 0.18 0.56 0.30 0.00 1.31 0.00 0.00 55.95 58.30 1s7a s SER 92 Cb -0.14 -2.54 1.63 0.00 0.21 0.00 0.00 66.02 65.17 1s7a s SER 92 CO 0.07 -1.57 2.14 1.55 0.41 0.00 0.00 173.24 175.84 1s7a h PRO 93 N 10.90 0.00 0.00 12.44 0.13 -1.98 0.01 132.00 153.49 1s7a h PRO 93 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1s7a h PRO 93 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1s7a h PRO 93 CO 1.13 0.07 0.00 0.43 -0.23 0.00 0.00 178.00 179.40 1s7a n SER 94 N -3.64 0.00 -4.20 1.44 7.64 -1.26 -4.62 113.62 108.98 1s7a n SER 94 Ca -0.02 -0.39 -0.33 0.00 1.01 0.00 0.00 58.87 59.14 1s7a n SER 94 Cb 0.18 -0.16 -0.16 0.00 -1.01 0.00 0.00 64.21 63.06 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 -2.32 3.07 0.50 1.43 -0.14 -0.01 -5.11 119.74 117.16 1s7a s LYS 95 Ca 0.30 -0.84 -0.21 0.00 -1.36 0.00 0.00 55.97 53.86 1s7a s LYS 95 Cb 0.17 -2.44 -0.07 0.00 -1.68 0.00 0.00 37.83 33.81 1s7a s LYS 95 CO 0.34 0.04 1.16 -1.25 -0.76 0.00 0.00 175.35 174.88 1s7a s PRO 96 N 0.69 3.55 -0.17 -1.68 0.04 -1.26 -4.83 135.00 131.35 1s7a s PRO 96 Ca -0.10 1.73 0.01 0.00 0.04 0.00 0.00 61.00 62.68 1s7a s PRO 96 Cb -0.16 -2.23 0.03 0.00 0.04 0.00 0.00 34.50 32.18 1s7a s PRO 96 CO 0.01 -0.72 -0.15 -0.48 0.04 0.00 0.00 177.00 175.71 1s7a s LEU 97 N -3.39 1.91 0.30 -3.56 0.05 -1.26 -5.12 118.68 107.61 1s7a s LEU 97 Ca 0.68 -0.60 -0.02 0.00 0.05 0.00 0.00 54.13 54.23 1s7a s LEU 97 Cb -0.27 -1.26 -0.04 0.00 -2.05 0.00 0.00 46.19 42.57 1s7a s LEU 97 CO 0.32 -0.06 0.53 -2.16 -0.55 0.00 0.00 176.35 174.43 1s7a s PRO 98 N 1.42 3.56 0.07 1.48 0.04 -1.26 -4.96 135.00 135.36 1s7a s PRO 98 Ca 0.04 -0.15 0.05 0.00 0.04 0.00 0.00 61.00 60.98 1s7a s PRO 98 Cb -0.14 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 1s7a s PRO 98 CO -0.11 0.21 -0.05 -2.00 0.04 0.00 0.00 177.00 175.09 1s7a s GLU 99 N -3.80 2.40 0.12 4.56 2.12 -1.26 -4.90 118.70 117.93 1s7a s GLU 99 Ca 0.42 -0.87 -0.09 0.00 0.36 0.00 0.00 54.97 54.78 1s7a s GLU 99 Cb -0.10 -2.45 -0.06 0.00 0.26 0.00 0.00 34.13 31.78 1s7a s GLU 99 CO 0.32 0.54 0.42 0.14 -0.54 0.00 0.00 175.26 176.15 1s7a s VAL 100 N -1.20 5.07 0.04 3.70 -7.23 -1.26 -5.09 120.40 114.43 1s7a s VAL 100 Ca 0.22 0.39 0.05 0.00 -1.81 0.00 0.00 61.98 60.84 1s7a s VAL 100 Cb -0.11 -3.64 -0.03 0.00 0.56 0.00 0.00 36.38 33.15 1s7a s VAL 100 CO 0.14 0.19 -0.11 0.42 -0.31 0.00 0.00 175.10 175.43 1s7a s THR 101 N -1.51 3.34 0.23 5.32 -4.23 -1.26 -5.08 115.64 112.45 1s7a s THR 101 Ca 0.37 -1.02 -0.31 0.00 -1.18 0.00 0.00 61.69 59.55 1s7a s THR 101 Cb -0.13 -2.47 -0.11 0.00 1.34 0.00 0.00 72.50 71.13 1s7a s THR 101 CO 0.20 0.30 1.59 -1.81 -0.54 0.00 0.00 174.62 174.36 1s7a s ASP 102 N -1.64 6.49 0.00 3.99 1.01 -1.26 -5.36 116.67 119.91 1s7a s ASP 102 Ca 0.18 2.78 0.00 0.00 0.71 0.00 0.00 52.55 56.22 1s7a s ASP 102 Cb -0.11 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.21 1s7a s ASP 102 CO 0.09 -0.86 0.13 -1.84 0.21 0.00 0.00 175.17 172.90