#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 -2.98 3.04 0.00 -1.26 -4.06 120.51 115.24 1s7a n ALA 2 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1s7a n ALA 2 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1s7a n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1s7a s GLU 3 N 0.00 3.68 -0.36 0.00 8.01 -1.26 -4.78 118.70 123.99 1s7a s GLU 3 Ca 0.00 -0.51 -0.31 0.00 0.01 0.00 0.00 54.97 54.16 1s7a s GLU 3 Cb 0.00 -2.97 0.05 0.00 -4.31 0.00 0.00 34.13 26.90 1s7a s GLU 3 CO 0.00 0.19 0.53 0.27 0.01 0.00 0.00 175.26 176.26 1s7a n ASN 4 N 3.70 -4.32 0.00 -0.19 0.23 -1.26 -4.87 115.26 108.54 1s7a n ASN 4 Ca -0.17 -0.15 0.00 0.00 -0.53 0.00 0.00 54.58 53.73 1s7a n ASN 4 Cb 0.52 -1.26 0.00 0.00 -2.08 0.00 0.00 39.78 36.96 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 -0.18 0.00 1.00 4.83 0.00 -1.26 -5.16 105.19 104.43 1s7a n GLY 5 Ca -0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.28 -5.64 -1.10 1.61 -0.08 -1.26 -4.63 116.55 104.18 1s7a n ASP 6 Ca 0.00 0.92 0.09 0.00 -1.51 0.00 0.00 54.79 54.29 1s7a n ASP 6 Cb 0.01 -3.39 0.26 0.00 2.34 0.00 0.00 41.12 40.34 1s7a n ASP 6 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1s7a n ASN 7 N -3.67 3.77 0.06 1.67 0.23 -1.26 -4.57 115.26 111.49 1s7a n ASN 7 Ca -0.05 -2.21 -0.13 0.00 -0.53 0.00 0.00 54.58 51.66 1s7a n ASN 7 Cb 0.47 -0.42 -0.08 0.00 -2.08 0.00 0.00 39.78 37.67 1s7a n ASN 7 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1s7a h GLU 8 N 3.16 -0.11 -0.85 -3.83 4.81 -2.01 -2.56 114.58 113.19 1s7a h GLU 8 Ca 0.00 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.34 1s7a h GLU 8 Cb 1.05 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.38 1s7a h GLU 8 CO 0.08 0.06 0.49 0.87 -0.73 0.00 0.00 179.01 179.78 1s7a h LYS 9 N -0.25 0.79 -0.70 1.92 1.57 -1.86 -0.45 116.57 117.59 1s7a h LYS 9 Ca -0.01 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1s7a h LYS 9 Cb 0.21 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 1s7a h LYS 9 CO 0.02 0.53 0.46 1.98 -0.57 0.00 0.00 179.45 181.87 1s7a h MET 10 N 0.82 0.83 -0.42 3.15 4.05 -1.80 -0.60 114.93 120.97 1s7a h MET 10 Ca 0.41 -0.05 0.03 0.00 -0.28 0.00 0.00 59.70 59.81 1s7a h MET 10 Cb 0.38 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 30.96 1s7a h MET 10 CO -0.25 0.55 0.23 0.00 0.23 0.00 0.00 176.91 177.67 1s7a h ALA 11 N 1.59 0.52 -0.09 0.39 0.00 -0.67 0.14 119.26 121.14 1s7a h ALA 11 Ca 0.28 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 1s7a h ALA 11 Cb 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1s7a h ALA 11 CO -0.08 -0.12 -0.54 0.00 0.00 0.00 0.00 179.25 178.51 1s7a h ALA 12 N 1.20 0.92 -0.42 0.00 0.00 -1.26 -2.92 119.26 116.77 1s7a h ALA 12 Ca 0.17 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 1s7a h ALA 12 Cb 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1s7a h ALA 12 CO -0.10 0.69 -0.04 1.25 0.00 0.00 0.00 179.25 181.05 1s7a h LEU 13 N 0.20 0.76 -0.40 0.00 6.46 -0.34 -0.34 115.31 121.65 1s7a h LEU 13 Ca 0.00 -0.33 0.00 0.00 -0.12 0.00 0.00 57.88 57.44 1s7a h LEU 13 Cb 1.02 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.72 1s7a h LEU 13 CO 0.09 0.91 0.26 -0.08 -0.62 0.00 0.00 178.44 179.00 1s7a h GLU 14 N 0.60 0.53 -0.28 1.25 4.81 -0.67 -2.35 114.58 118.47 1s7a h GLU 14 Ca 0.11 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.20 1s7a h GLU 14 Cb 0.54 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1s7a h GLU 14 CO 0.03 0.35 -0.31 0.00 -0.73 0.00 0.00 179.01 178.36 1s7a h ALA 15 N 1.14 0.95 -1.01 2.92 0.00 -1.42 -2.87 119.26 118.98 1s7a h ALA 15 Ca 0.15 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 54.72 1s7a h ALA 15 Cb -0.06 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 1s7a h ALA 15 CO -0.03 0.61 0.65 0.87 0.00 0.00 0.00 179.25 181.35 1s7a h LYS 16 N 0.49 1.18 -0.15 0.00 1.79 -0.56 0.19 116.57 119.51 1s7a h LYS 16 Ca 0.06 -0.07 -0.09 0.00 -2.18 0.00 0.00 60.65 58.37 1s7a h LYS 16 Cb 0.78 -0.27 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 1s7a h LYS 16 CO 0.06 0.78 -0.31 0.82 -1.08 0.00 0.00 179.45 179.72 1s7a h ILE 17 N 1.22 1.27 -0.13 1.86 2.04 -1.23 -1.91 117.51 120.64 1s7a h ILE 17 Ca 0.42 -1.31 -0.22 0.00 1.00 0.00 0.00 64.86 64.75 1s7a h ILE 17 Cb 0.10 1.50 0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1s7a h ILE 17 CO -0.15 0.40 -0.80 0.00 0.00 0.00 0.00 178.15 177.60 1s7a h HIS 19 N 0.48 1.01 -0.31 0.00 6.17 -0.90 -2.45 115.15 119.16 1s7a h HIS 19 Ca -0.06 -0.31 -0.01 0.00 0.71 0.00 0.00 60.37 60.69 1s7a h HIS 19 Cb 1.43 -0.21 -0.01 0.00 2.52 0.00 0.00 27.41 31.14 1s7a h HIS 19 CO 0.09 1.11 0.14 -0.56 0.71 0.00 0.00 177.93 179.41 1s7a h GLN 20 N 0.68 0.45 -0.64 5.26 -0.00 -1.41 -1.18 115.11 118.27 1s7a h GLN 20 Ca 0.05 -0.07 0.06 0.00 -0.00 0.00 0.00 58.65 58.69 1s7a h GLN 20 Cb 0.98 -0.08 -0.04 0.00 -0.00 0.00 0.00 27.48 28.35 1s7a h GLN 20 CO 0.09 0.44 0.42 0.82 -0.00 0.00 0.00 178.83 180.61 1s7a h ILE 21 N 0.35 1.00 -0.46 1.86 2.04 -1.49 0.19 117.51 121.01 1s7a h ILE 21 Ca 0.10 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1s7a h ILE 21 Cb 0.15 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 1s7a h ILE 21 CO -0.01 0.11 0.26 -0.08 0.00 0.00 0.00 178.15 178.43 1s7a h GLU 22 N 0.63 0.62 -0.55 2.37 4.81 -0.74 -1.26 114.58 120.45 1s7a h GLU 22 Ca 0.28 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1s7a h GLU 22 Cb 0.29 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 1s7a h GLU 22 CO -0.09 0.45 0.35 -0.92 -0.73 0.00 0.00 179.01 178.08 1s7a h TYR 23 N 0.63 0.71 0.10 0.92 3.20 0.10 6.44 116.97 129.08 1s7a h TYR 23 Ca 0.16 0.01 -0.29 0.00 3.14 0.00 0.00 58.73 61.75 1s7a h TYR 23 Cb 0.01 -0.24 0.02 0.00 1.54 0.00 0.00 36.73 38.06 1s7a h TYR 23 CO 0.00 0.47 -1.20 1.88 -1.64 0.00 0.00 178.16 177.67 1s7a h TYR 24 N 0.75 0.94 0.00 -3.82 0.05 -1.41 -3.06 116.97 110.41 1s7a h TYR 24 Ca 0.20 -0.58 -0.08 0.00 0.05 0.00 0.00 58.73 58.32 1s7a h TYR 24 Cb -0.05 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.60 1s7a h TYR 24 CO -0.03 1.42 -1.70 1.19 -1.05 0.00 0.00 178.16 177.99 1s7a n PHE 25 N -3.77 0.00 -0.26 4.88 3.72 -0.52 -1.96 117.46 119.56 1s7a n PHE 25 Ca -0.12 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.26 1s7a n PHE 25 Cb 0.97 -0.41 0.01 0.00 -0.94 0.00 0.00 39.48 39.11 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 1.89 -1.44 0.00 1.37 0.00 2.08 -4.66 105.19 104.43 1s7a n GLY 26 Ca -0.08 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 -4.96 0.00 0.05 1.61 2.03 -1.25 -4.95 116.55 109.08 1s7a n ASP 27 Ca 0.06 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.17 1s7a n ASP 27 Cb 0.25 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.51 1s7a n ASP 27 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1s7a h PHE 28 N 0.00 0.54 0.02 -0.67 0.04 -1.79 -3.33 116.94 111.75 1s7a h PHE 28 Ca 0.00 -0.40 -0.21 0.00 2.80 0.00 0.00 57.97 60.16 1s7a h PHE 28 Cb 0.00 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 1s7a h PHE 28 CO 0.00 1.34 -0.96 -0.91 -0.60 0.00 0.00 178.31 177.18 1s7a h ASN 29 N -0.36 0.29 -0.26 2.17 4.21 -1.62 -3.33 115.58 116.68 1s7a h ASN 29 Ca -0.16 -0.25 0.03 0.00 1.21 0.00 0.00 56.30 57.13 1s7a h ASN 29 Cb 1.67 -0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 38.75 1s7a h ASN 29 CO 0.14 1.09 0.06 0.25 -1.29 0.00 0.00 177.43 177.69 1s7a h LEU 30 N 0.10 0.04 -1.13 1.61 7.12 -1.54 4.50 115.31 126.01 1s7a h LEU 30 Ca -0.06 0.04 0.00 0.00 0.13 0.00 0.00 57.88 57.99 1s7a h LEU 30 Cb 1.62 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 41.79 1s7a h LEU 30 CO 0.15 0.06 0.02 -2.65 -0.13 0.00 0.00 178.44 175.89 1s7a n PRO 31 N -5.07 0.11 0.00 5.25 -0.02 -1.25 -3.15 135.00 130.87 1s7a n PRO 31 Ca -0.01 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1s7a n PRO 31 Cb 0.11 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 -2.10 0.00 -1.58 -0.52 5.12 -0.55 -5.04 116.66 111.99 1s7a n ARG 32 Ca -0.01 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.59 1s7a n ARG 32 Cb 0.05 -0.39 -0.04 0.00 -1.16 0.00 0.00 32.46 30.93 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 0.00 4.35 -0.01 0.55 1.11 1.47 -4.77 116.67 119.37 1s7a s ASP 33 Ca 0.00 0.84 -0.22 0.00 0.18 0.00 0.00 52.55 53.36 1s7a s ASP 33 Cb 0.00 -2.51 -0.22 0.00 1.07 0.00 0.00 42.92 41.26 1s7a s ASP 33 CO 0.00 -3.07 1.10 0.11 1.18 0.00 0.00 175.17 174.50 1s7a h LYS 34 N 18.08 0.32 -0.35 8.23 1.79 -1.92 -2.26 116.57 140.46 1s7a h LYS 34 Ca -0.19 -0.31 -0.10 0.00 -2.18 0.00 0.00 60.65 57.87 1s7a h LYS 34 Cb 1.21 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.93 1s7a h LYS 34 CO 1.13 0.99 -0.17 0.27 -1.08 0.00 0.00 179.45 180.59 1s7a h PHE 35 N -0.24 0.85 -0.51 -1.35 -5.15 -1.98 -2.79 116.94 105.77 1s7a h PHE 35 Ca -0.04 -0.21 -0.02 0.00 -0.20 0.00 0.00 57.97 57.49 1s7a h PHE 35 Cb 1.12 -0.20 -0.02 0.00 0.22 0.00 0.00 35.95 37.07 1s7a h PHE 35 CO 0.15 0.94 0.23 1.25 -2.00 0.00 0.00 178.31 178.87 1s7a h LEU 36 N 0.52 0.65 -1.94 2.10 7.12 -1.95 -0.92 115.31 120.90 1s7a h LEU 36 Ca 0.08 -0.07 -0.02 0.00 0.13 0.00 0.00 57.88 58.00 1s7a h LEU 36 Cb 0.71 -0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 40.67 1s7a h LEU 36 CO 0.05 0.57 -0.10 0.11 -0.13 0.00 0.00 178.44 178.94 1s7a h LYS 37 N 0.72 0.00 -0.19 1.25 1.79 -1.14 -1.42 116.57 117.57 1s7a h LYS 37 Ca 0.18 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.54 1s7a h LYS 37 Cb 0.11 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1s7a h LYS 37 CO -0.02 0.10 -0.32 0.93 -1.08 0.00 0.00 179.45 179.06 1s7a h GLU 38 N 0.00 0.55 -0.31 3.15 5.08 -0.97 -1.10 114.58 120.98 1s7a h GLU 38 Ca -0.00 -0.34 -0.16 0.00 -1.00 0.00 0.00 59.36 57.86 1s7a h GLU 38 Cb 0.21 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1s7a h GLU 38 CO 0.01 0.94 -0.46 1.96 -1.00 0.00 0.00 179.01 180.47 1s7a h GLN 39 N 0.21 0.82 -0.21 2.33 7.50 -1.34 0.11 115.11 124.54 1s7a h GLN 39 Ca 0.01 -0.46 -0.11 0.00 0.50 0.00 0.00 58.65 58.59 1s7a h GLN 39 Cb 0.90 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.45 1s7a h GLN 39 CO 0.07 1.10 -0.34 -0.84 -1.50 0.00 0.00 178.83 177.32 1s7a h ILE 40 N 0.65 1.29 0.07 2.54 3.07 -1.29 -2.99 117.51 120.85 1s7a h ILE 40 Ca 0.04 -1.43 -0.24 0.00 1.55 0.00 0.00 64.86 64.77 1s7a h ILE 40 Cb 1.04 1.50 -0.01 0.00 -0.27 0.00 0.00 36.82 39.08 1s7a h ILE 40 CO 0.10 0.45 -1.11 0.50 -1.05 0.00 0.00 178.15 177.04 1s7a h LYS 41 N 0.38 0.18 0.00 0.16 3.11 -1.06 1.08 116.57 120.43 1s7a h LYS 41 Ca 0.04 -0.29 0.00 0.00 -2.81 0.00 0.00 60.65 57.59 1s7a h LYS 41 Cb 0.79 0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.12 1s7a h LYS 41 CO 0.06 1.12 0.00 -0.11 -2.81 0.00 0.00 179.45 177.71 1s7a n LEU 42 N -3.50 0.00 0.00 5.20 0.00 0.38 -4.65 117.00 114.43 1s7a n LEU 42 Ca -0.05 0.72 0.00 0.00 0.00 0.00 0.00 56.01 56.67 1s7a n LEU 42 Cb 0.96 -0.22 0.00 0.00 0.00 0.00 0.00 43.42 44.17 1s7a n LEU 42 CO 0.51 -0.22 0.00 -0.90 0.00 0.00 0.00 177.39 176.78 1s7a n ASP 43 N -1.81 0.00 -2.60 1.96 5.68 -1.25 -4.92 116.55 113.61 1s7a n ASP 43 Ca 0.00 0.00 -0.33 0.00 -0.50 0.00 0.00 54.79 53.96 1s7a n ASP 43 Cb 0.00 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.00 1s7a n ASP 43 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1s7a n GLU 44 N 0.00 3.11 -1.93 0.11 2.13 -1.26 -4.84 120.64 117.95 1s7a n GLU 44 Ca 0.00 -3.98 -0.03 0.00 0.66 0.00 0.00 57.16 53.81 1s7a n GLU 44 Cb 0.00 -2.26 0.02 0.00 0.27 0.00 0.00 31.44 29.46 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 -0.56 0.45 2.66 8.31 0.00 0.37 -5.02 105.19 111.41 1s7a n GLY 45 Ca 0.48 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 46.13 1s7a n GLY 45 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1s7a s TRP 46 N -3.08 -0.02 -0.15 1.61 0.52 -1.24 -4.52 118.94 112.07 1s7a s TRP 46 Ca 0.08 -0.17 -0.07 0.00 0.02 0.00 0.00 56.10 55.96 1s7a s TRP 46 Cb -0.01 -0.58 -0.04 0.00 -1.15 0.00 0.00 33.47 31.69 1s7a s TRP 46 CO 0.15 -0.62 0.08 0.54 0.02 0.00 0.00 176.95 177.13 1s7a s VAL 47 N 2.22 5.01 0.46 4.03 0.11 0.09 -4.63 120.40 127.69 1s7a s VAL 47 Ca 0.05 0.03 -0.10 0.00 -2.93 0.00 0.00 61.98 59.03 1s7a s VAL 47 Cb -0.16 -3.22 -0.06 0.00 -1.53 0.00 0.00 36.38 31.42 1s7a s VAL 47 CO -0.16 0.53 0.84 -2.16 -3.33 0.00 0.00 175.10 170.82 1s7a s PRO 48 N -0.26 3.74 0.00 1.54 0.05 -1.26 0.11 135.00 138.92 1s7a s PRO 48 Ca 0.09 0.52 0.01 0.00 0.05 0.00 0.00 61.00 61.67 1s7a s PRO 48 Cb -0.12 -2.31 0.06 0.00 0.05 0.00 0.00 34.50 32.18 1s7a s PRO 48 CO 0.01 -0.17 0.59 1.28 0.05 0.00 0.00 177.00 178.76 1s7a n LEU 49 N -1.70 0.00 -0.21 -3.56 4.77 -1.23 -2.12 117.00 112.97 1s7a n LEU 49 Ca 0.03 0.03 -0.07 0.00 -0.03 0.00 0.00 56.01 55.97 1s7a n LEU 49 Cb 0.54 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.62 1s7a n LEU 49 CO 0.50 -0.03 0.99 1.05 -1.33 0.00 0.00 177.39 178.56 1s7a h GLU 50 N 0.00 0.86 -0.91 3.23 4.11 -1.91 2.66 114.58 122.62 1s7a h GLU 50 Ca 0.00 -0.15 -0.02 0.00 0.07 0.00 0.00 59.36 59.26 1s7a h GLU 50 Cb 0.00 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 1s7a h GLU 50 CO 0.00 0.73 0.50 0.82 0.07 0.00 0.00 179.01 181.13 1s7a h ILE 51 N 0.79 1.26 0.10 -1.06 1.08 -1.82 -1.35 117.51 116.52 1s7a h ILE 51 Ca 0.19 -0.63 -0.24 0.00 -0.39 0.00 0.00 64.86 63.79 1s7a h ILE 51 Cb 0.18 0.02 0.02 0.00 -3.07 0.00 0.00 36.82 33.98 1s7a h ILE 51 CO -0.02 0.29 -1.00 0.24 -0.69 0.00 0.00 178.15 176.97 1s7a h MET 52 N 1.27 0.50 -0.74 2.37 2.86 -1.49 -2.43 114.93 117.25 1s7a h MET 52 Ca 0.32 -0.67 -0.02 0.00 -2.06 0.00 0.00 59.70 57.27 1s7a h MET 52 Cb 0.01 0.22 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 1s7a h MET 52 CO -0.05 1.29 0.37 0.97 1.06 0.00 0.00 176.91 180.55 1s7a h ILE 53 N 0.03 1.23 0.05 -1.22 2.10 0.49 -2.95 117.51 117.23 1s7a h ILE 53 Ca -0.15 -0.62 -0.27 0.00 1.08 0.00 0.00 64.86 64.89 1s7a h ILE 53 Cb 1.72 0.26 -0.03 0.00 -1.09 0.00 0.00 36.82 37.68 1s7a h ILE 53 CO 0.19 0.27 -1.40 0.11 -1.08 0.00 0.00 178.15 176.23 1s7a h LYS 54 N 1.05 0.10 -6.22 2.19 1.57 -1.35 -3.25 116.57 110.64 1s7a h LYS 54 Ca 0.26 -0.17 -0.70 0.00 -1.87 0.00 0.00 60.65 58.17 1s7a h LYS 54 Cb 0.08 0.06 0.04 0.00 0.08 0.00 0.00 32.23 32.50 1s7a h LYS 54 CO -0.04 0.91 0.53 1.19 -0.57 0.00 0.00 179.45 181.48 1s7a n PHE 55 N -3.31 1.58 0.07 -1.35 3.72 -0.92 -4.53 117.46 112.72 1s7a n PHE 55 Ca -0.11 0.65 0.16 0.00 -0.05 0.00 0.00 57.45 58.10 1s7a n PHE 55 Cb 1.01 -2.34 0.66 0.00 -0.94 0.00 0.00 39.48 37.87 1s7a n PHE 55 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1s7a h ASN 56 N 5.06 0.03 0.13 4.37 -0.73 -1.89 0.41 115.58 122.97 1s7a h ASN 56 Ca -0.48 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 57.69 1s7a h ASN 56 Cb 1.34 -0.01 -0.00 0.00 0.27 0.00 0.00 38.32 39.92 1s7a h ASN 56 CO 0.81 0.02 -0.04 -0.09 -0.37 0.00 0.00 177.43 177.77 1s7a h ARG 57 N 0.04 0.00 0.00 6.67 2.43 -1.90 -2.40 114.38 119.22 1s7a h ARG 57 Ca 0.18 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.18 1s7a h ARG 57 Cb 0.68 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 1s7a h ARG 57 CO -0.01 0.04 -1.61 -0.11 -1.51 0.00 0.00 179.97 176.77 1s7a n LEU 58 N -3.70 1.54 0.28 3.80 0.00 0.26 -4.54 117.00 114.64 1s7a n LEU 58 Ca -0.03 0.07 0.18 0.00 0.00 0.00 0.00 56.01 56.23 1s7a n LEU 58 Cb 0.13 -0.34 0.90 0.00 0.00 0.00 0.00 43.42 44.11 1s7a n LEU 58 CO 0.27 0.38 1.15 -1.13 0.00 0.00 0.00 177.39 178.07 1s7a h ASN 59 N -0.26 0.00 0.23 1.96 -0.73 -0.35 0.36 115.58 116.79 1s7a h ASN 59 Ca -0.26 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.91 1s7a h ASN 59 Cb 1.28 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.87 1s7a h ASN 59 CO -0.12 0.00 0.00 -1.14 -0.37 0.00 0.00 177.43 175.80 1s7a n ARG 60 N -3.26 0.48 0.00 6.67 0.63 -0.90 -4.62 116.66 115.66 1s7a n ARG 60 Ca -0.00 0.05 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 1s7a n ARG 60 Cb 0.33 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.74 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 -1.16 0.00 -4.35 6.15 4.32 0.12 -5.09 117.00 116.99 1s7a n LEU 61 Ca 0.13 0.00 -0.35 0.00 -0.02 0.00 0.00 56.01 55.78 1s7a n LEU 61 Cb 0.13 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 41.79 1s7a n LEU 61 CO 0.15 0.00 -0.39 -0.89 -1.22 0.00 0.00 177.39 175.04 1s7a s THR 62 N 0.00 3.43 0.00 -5.08 2.01 -1.06 -4.94 115.64 110.01 1s7a s THR 62 Ca 0.00 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 61.51 1s7a s THR 62 Cb 0.00 -2.54 0.00 0.00 0.01 0.00 0.00 72.50 69.97 1s7a s THR 62 CO 0.00 0.44 0.15 0.41 -0.69 0.00 0.00 174.62 174.93 1s7a n THR 63 N 4.45 0.00 -1.67 -0.82 -1.04 -1.26 -4.51 114.28 109.43 1s7a n THR 63 Ca -0.18 -0.42 -0.39 0.00 -2.04 0.00 0.00 64.05 61.01 1s7a n THR 63 Cb 0.51 1.05 -0.03 0.00 -1.82 0.00 0.00 70.33 70.05 1s7a n THR 63 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1s7a s ASP 64 N -0.55 4.97 0.36 8.00 2.15 -1.26 -4.80 116.67 125.53 1s7a s ASP 64 Ca 0.00 1.26 0.18 0.00 0.43 0.00 0.00 52.55 54.42 1s7a s ASP 64 Cb 0.00 -2.51 1.25 0.00 -0.30 0.00 0.00 42.92 41.36 1s7a s ASP 64 CO 0.00 -2.44 1.58 -0.26 -0.17 0.00 0.00 175.17 173.88 1s7a h PHE 65 N 17.10 0.69 -0.20 -5.34 0.04 -1.97 0.89 116.94 128.15 1s7a h PHE 65 Ca -0.30 0.04 -0.15 0.00 2.80 0.00 0.00 57.97 60.37 1s7a h PHE 65 Cb 1.24 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 39.26 1s7a h PHE 65 CO 0.96 -0.47 -0.45 -0.91 -0.60 0.00 0.00 178.31 176.85 1s7a h ASN 66 N 0.01 0.75 -0.18 2.17 4.21 -1.98 -1.75 115.58 118.80 1s7a h ASN 66 Ca 0.81 -0.56 -0.11 0.00 1.21 0.00 0.00 56.30 57.65 1s7a h ASN 66 Cb 2.08 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 39.07 1s7a h ASN 66 CO -0.79 1.17 -0.32 0.58 -1.29 0.00 0.00 177.43 176.78 1s7a h VAL 67 N 0.36 1.34 -0.30 2.81 2.07 0.09 -2.70 116.25 119.92 1s7a h VAL 67 Ca 0.00 -1.55 -0.02 0.00 0.82 0.00 0.00 66.70 65.96 1s7a h VAL 67 Cb 1.05 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1s7a h VAL 67 CO 0.10 0.47 0.13 -0.29 0.02 0.00 0.00 177.57 178.00 1s7a h ILE 68 N 0.18 1.17 -0.57 4.57 2.10 0.09 -2.47 117.51 122.58 1s7a h ILE 68 Ca 0.01 -0.51 0.05 0.00 1.08 0.00 0.00 64.86 65.49 1s7a h ILE 68 Cb 0.90 0.95 -0.03 0.00 -1.09 0.00 0.00 36.82 37.55 1s7a h ILE 68 CO 0.07 0.18 0.38 0.58 -1.08 0.00 0.00 178.15 178.28 1s7a h VAL 69 N 0.34 1.03 -0.69 2.19 2.07 -1.35 -1.98 116.25 117.87 1s7a h VAL 69 Ca 0.10 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1s7a h VAL 69 Cb 0.16 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 1s7a h VAL 69 CO -0.01 0.11 0.30 -0.08 0.02 0.00 0.00 177.57 177.91 1s7a h GLU 70 N 0.61 1.01 0.10 1.57 4.57 -1.10 0.30 114.58 121.65 1s7a h GLU 70 Ca 0.24 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 1s7a h GLU 70 Cb 0.18 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1s7a h GLU 70 CO -0.07 0.82 -0.05 0.00 -1.18 0.00 0.00 179.01 178.54 1s7a h ALA 71 N 1.14 -0.14 0.00 2.92 0.00 -1.20 -3.11 119.26 118.87 1s7a h ALA 71 Ca 0.23 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1s7a h ALA 71 Cb 0.17 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1s7a h ALA 71 CO -0.02 -0.38 -0.32 1.37 0.00 0.00 0.00 179.25 179.90 1s7a h LEU 72 N -0.55 0.00 -1.73 0.00 8.10 -1.42 -2.24 115.31 117.48 1s7a h LEU 72 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.98 1s7a h LEU 72 Cb 0.44 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.66 1s7a h LEU 72 CO 0.02 0.32 0.08 -1.28 -4.11 0.00 0.00 178.44 173.47 1s7a h SER 73 N 0.00 0.00 0.00 0.17 0.87 -0.33 -0.40 113.55 113.86 1s7a h SER 73 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1s7a h SER 73 Cb 0.60 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1s7a h SER 73 CO 0.04 0.00 -1.18 1.17 -0.53 0.00 0.00 176.83 176.33 1s7a n LYS 74 N -2.46 1.39 -1.08 2.24 0.00 -0.86 -5.02 118.16 112.38 1s7a n LYS 74 Ca -0.02 -0.07 -0.34 0.00 0.00 0.00 0.00 58.31 57.88 1s7a n LYS 74 Cb 0.12 -1.21 0.11 0.00 0.00 0.00 0.00 35.03 34.06 1s7a n LYS 74 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1s7a n SER 75 N -1.68 -0.26 -2.70 3.14 3.41 -0.16 -4.97 113.62 110.39 1s7a n SER 75 Ca -0.01 0.53 -0.06 0.00 -0.26 0.00 0.00 58.87 59.08 1s7a n SER 75 Cb 0.27 -1.36 0.08 0.00 -0.26 0.00 0.00 64.21 62.94 1s7a n SER 75 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1s7a n LYS 76 N -2.22 1.28 -0.34 4.33 -0.00 -1.26 -4.91 118.16 115.04 1s7a n LYS 76 Ca 0.11 -2.43 0.05 0.00 -0.00 0.00 0.00 58.31 56.04 1s7a n LYS 76 Cb 0.51 -0.58 0.19 0.00 -0.00 0.00 0.00 35.03 35.15 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 -0.58 2.87 -0.45 0.58 0.00 -1.26 -5.02 120.51 116.65 1s7a n ALA 77 Ca -0.00 -0.82 0.01 0.00 0.00 0.00 0.00 53.44 52.63 1s7a n ALA 77 Cb 0.84 -1.02 -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 0.43 -0.19 -0.24 0.00 1.02 -1.26 -4.67 120.64 115.74 1s7a n GLU 78 Ca 0.13 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 1s7a n GLU 78 Cb 0.55 -0.23 0.00 0.00 -0.02 0.00 0.00 31.44 31.74 1s7a n GLU 78 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1s7a n LEU 79 N 0.00 0.30 -4.50 -4.62 0.00 -1.26 -4.91 117.00 102.01 1s7a n LEU 79 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 56.01 55.77 1s7a n LEU 79 Cb 0.04 -0.70 -0.10 0.00 0.00 0.00 0.00 43.42 42.66 1s7a n LEU 79 CO 0.00 -0.15 -0.38 -0.04 0.00 0.00 0.00 177.39 176.82 1s7a s MET 80 N -0.30 1.72 -0.20 1.96 -1.94 -1.26 -2.91 119.30 116.36 1s7a s MET 80 Ca 0.00 -1.88 -0.16 0.00 -1.71 0.00 0.00 55.69 51.93 1s7a s MET 80 Cb 0.00 -1.51 0.06 0.00 2.01 0.00 0.00 34.83 35.39 1s7a s MET 80 CO 0.00 0.11 0.53 -2.00 -0.01 0.00 0.00 175.02 173.64 1s7a s GLU 81 N -3.65 0.59 0.01 2.03 2.56 -0.92 -4.77 118.70 114.54 1s7a s GLU 81 Ca 0.31 0.82 0.08 0.00 0.00 0.00 0.00 54.97 56.18 1s7a s GLU 81 Cb 0.03 0.21 -0.02 0.00 2.00 0.00 0.00 34.13 36.35 1s7a s GLU 81 CO 0.15 -0.10 -0.25 0.42 -0.56 0.00 0.00 175.26 174.91 1s7a s ILE 82 N 0.70 2.02 0.00 -3.70 1.09 -1.26 -1.78 121.20 118.27 1s7a s ILE 82 Ca -0.03 -1.19 0.00 0.00 -1.10 0.00 0.00 60.65 58.32 1s7a s ILE 82 Cb -0.05 -1.70 0.00 0.00 -1.06 0.00 0.00 42.46 39.65 1s7a s ILE 82 CO -0.05 0.47 0.00 -0.24 -0.10 0.00 0.00 174.94 175.02 1s7a n SER 83 N 2.18 -0.78 0.10 3.58 2.88 -1.26 -4.85 113.62 115.47 1s7a n SER 83 Ca -0.16 -0.09 0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1s7a n SER 83 Cb 0.52 0.00 0.29 0.00 -0.75 0.00 0.00 64.21 64.27 1s7a n SER 83 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1s7a h GLU 84 N 0.00 0.00 0.00 -1.46 4.39 -2.00 -3.25 114.58 112.26 1s7a h GLU 84 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1s7a h GLU 84 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1s7a h GLU 84 CO 0.00 0.00 -0.61 -3.47 -1.16 0.00 0.00 179.01 173.77 1s7a n ASP 85 N -2.28 0.60 0.00 1.42 2.03 -1.26 -4.92 116.55 112.14 1s7a n ASP 85 Ca 0.04 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1s7a n ASP 85 Cb 0.44 0.25 0.00 0.00 -0.72 0.00 0.00 41.12 41.10 1s7a n ASP 85 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1s7a n LYS 86 N -1.86 -1.42 -1.09 -0.67 4.81 -1.23 -4.82 118.16 111.89 1s7a n LYS 86 Ca 0.04 0.35 -0.17 0.00 -0.87 0.00 0.00 58.31 57.66 1s7a n LYS 86 Cb 0.40 -4.46 0.18 0.00 0.02 0.00 0.00 35.03 31.17 1s7a n LYS 86 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1s7a n THR 87 N -2.25 2.98 -3.46 3.15 -2.24 -1.26 -4.76 114.28 106.44 1s7a n THR 87 Ca 0.00 -2.26 -0.13 0.00 -2.27 0.00 0.00 64.05 59.39 1s7a n THR 87 Cb 0.35 -0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.12 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 -3.29 1.13 0.06 -0.78 0.00 -1.26 -3.46 119.74 112.13 1s7a s LYS 88 Ca 0.53 -0.22 0.03 0.00 0.00 0.00 0.00 55.97 56.31 1s7a s LYS 88 Cb 0.45 0.52 -0.03 0.00 0.00 0.00 0.00 37.83 38.78 1s7a s LYS 88 CO 0.07 -0.45 -0.09 0.96 0.00 0.00 0.00 175.35 175.83 1s7a s ILE 89 N -2.85 0.74 0.09 3.79 -4.36 0.29 -4.14 121.20 114.77 1s7a s ILE 89 Ca -0.02 -1.29 -0.13 0.00 -0.26 0.00 0.00 60.65 58.95 1s7a s ILE 89 Cb -0.01 -0.92 0.02 0.00 1.25 0.00 0.00 42.46 42.81 1s7a s ILE 89 CO -0.06 -0.42 0.32 0.00 0.24 0.00 0.00 174.94 175.02 1s7a s ARG 90 N -1.99 0.93 0.03 0.37 1.04 -0.73 -0.74 118.95 117.86 1s7a s ARG 90 Ca -0.04 -0.72 -0.21 0.00 -1.04 0.00 0.00 55.73 53.72 1s7a s ARG 90 Cb -0.08 0.40 -0.06 0.00 -2.04 0.00 0.00 34.95 33.18 1s7a s ARG 90 CO 0.00 -0.33 0.62 0.50 -0.04 0.00 0.00 175.30 176.05 1s7a s ARG 91 N -3.46 4.32 -0.33 3.89 6.06 -1.26 -2.16 118.95 126.02 1s7a s ARG 91 Ca 0.01 0.79 -0.28 0.00 -2.50 0.00 0.00 55.73 53.76 1s7a s ARG 91 Cb 0.02 -3.32 -0.03 0.00 0.06 0.00 0.00 34.95 31.68 1s7a s ARG 91 CO -0.09 0.43 1.98 0.45 -2.50 0.00 0.00 175.30 175.57 1s7a s SER 92 N -0.43 5.60 0.52 -2.12 0.15 -1.15 -4.80 113.70 111.48 1s7a s SER 92 Ca 0.32 1.41 0.27 0.00 0.70 0.00 0.00 55.95 58.64 1s7a s SER 92 Cb -0.19 -2.52 1.45 0.00 -1.71 0.00 0.00 66.02 63.05 1s7a s SER 92 CO 0.19 -1.92 2.08 1.55 1.20 0.00 0.00 173.24 176.33 1s7a h PRO 93 N 14.20 0.00 -0.04 5.44 0.13 -1.94 -0.18 132.00 149.61 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 0.11 0.00 0.43 -0.23 0.00 0.00 178.00 179.35 1s7a n SER 94 N -3.69 0.86 -4.32 1.44 7.64 -1.26 -4.78 113.62 109.50 1s7a n SER 94 Ca -0.02 -1.38 -0.32 0.00 1.01 0.00 0.00 58.87 58.16 1s7a n SER 94 Cb 0.23 -0.02 -0.16 0.00 -1.01 0.00 0.00 64.21 63.25 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 -1.96 2.53 0.54 1.43 1.02 -0.08 -5.11 119.74 118.11 1s7a s LYS 95 Ca 0.38 -0.85 -0.20 0.00 0.02 0.00 0.00 55.97 55.32 1s7a s LYS 95 Cb 0.19 -2.22 -0.05 0.00 -0.52 0.00 0.00 37.83 35.23 1s7a s LYS 95 CO 0.31 0.45 1.18 -1.25 -0.92 0.00 0.00 175.35 175.12 1s7a s PRO 96 N -0.31 3.29 -0.19 -1.68 0.04 -1.26 -4.80 135.00 130.08 1s7a s PRO 96 Ca 0.01 1.76 0.01 0.00 0.04 0.00 0.00 61.00 62.83 1s7a s PRO 96 Cb -0.13 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.37 1s7a s PRO 96 CO 0.02 -0.94 -0.15 -0.48 0.04 0.00 0.00 177.00 175.50 1s7a s LEU 97 N -3.72 2.25 0.32 -3.56 0.05 -1.26 -5.09 118.68 107.67 1s7a s LEU 97 Ca 0.73 -0.78 -0.04 0.00 0.05 0.00 0.00 54.13 54.09 1s7a s LEU 97 Cb -0.28 -1.36 -0.05 0.00 -2.05 0.00 0.00 46.19 42.45 1s7a s LEU 97 CO 0.32 -0.08 0.57 -2.16 -0.55 0.00 0.00 176.35 174.45 1s7a s PRO 98 N 1.33 3.59 0.10 1.48 0.04 -1.26 -4.91 135.00 135.37 1s7a s PRO 98 Ca 0.01 -0.07 0.08 0.00 0.04 0.00 0.00 61.00 61.07 1s7a s PRO 98 Cb -0.15 -2.63 -0.04 0.00 0.04 0.00 0.00 34.50 31.72 1s7a s PRO 98 CO -0.10 0.16 -0.17 -2.00 0.04 0.00 0.00 177.00 174.93 1s7a s GLU 99 N -3.84 1.88 0.04 4.56 -6.30 -1.26 -4.52 118.70 109.26 1s7a s GLU 99 Ca 0.43 -1.12 -0.18 0.00 -2.50 0.00 0.00 54.97 51.60 1s7a s GLU 99 Cb -0.10 -2.15 -0.06 0.00 0.00 0.00 0.00 34.13 31.82 1s7a s GLU 99 CO 0.33 0.50 0.53 0.14 0.02 0.00 0.00 175.26 176.77 1s7a s VAL 100 N -1.09 4.83 0.15 3.70 -7.23 -1.26 -5.07 120.40 114.43 1s7a s VAL 100 Ca 0.17 1.12 0.10 0.00 -1.81 0.00 0.00 61.98 61.57 1s7a s VAL 100 Cb -0.11 -3.85 -0.04 0.00 0.56 0.00 0.00 36.38 32.94 1s7a s VAL 100 CO 0.09 0.54 -0.21 0.42 -0.31 0.00 0.00 175.10 175.64 1s7a s THR 101 N -0.98 2.63 -0.00 5.32 -4.23 -1.26 -5.12 115.64 112.00 1s7a s THR 101 Ca 0.28 -1.72 -0.12 0.00 -1.18 0.00 0.00 61.69 58.94 1s7a s THR 101 Cb -0.19 -2.22 -0.05 0.00 1.34 0.00 0.00 72.50 71.37 1s7a s THR 101 CO 0.17 0.01 0.37 1.51 -0.54 0.00 0.00 174.62 176.14 1s7a s ASP 102 N -2.36 6.71 0.00 3.99 -4.77 -1.26 -5.31 116.67 113.67 1s7a s ASP 102 Ca 0.19 0.85 0.00 0.00 -3.30 0.00 0.00 52.55 50.29 1s7a s ASP 102 Cb -0.09 -2.21 0.00 0.00 -1.09 0.00 0.00 42.92 39.53 1s7a s ASP 102 CO 0.10 0.31 0.00 -0.62 0.70 0.00 0.00 175.17 175.65