#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s7a s ALA 2 N 0.00 -1.99 0.19 -5.12 0.00 -1.26 -5.15 121.76 108.43 1s7a s ALA 2 Ca 0.00 -0.41 0.11 0.00 0.00 0.00 0.00 51.96 51.65 1s7a s ALA 2 Cb 0.00 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 1s7a s ALA 2 CO 0.00 -2.23 -0.23 -2.00 0.00 0.00 0.00 175.76 171.31 1s7a s GLU 3 N 0.98 1.46 -0.16 0.00 2.12 -1.26 -5.07 118.70 116.77 1s7a s GLU 3 Ca 0.28 -1.50 -0.39 0.00 0.36 0.00 0.00 54.97 53.72 1s7a s GLU 3 Cb -0.01 -1.72 -0.16 0.00 0.26 0.00 0.00 34.13 32.51 1s7a s GLU 3 CO -0.06 0.37 1.61 -1.71 -0.54 0.00 0.00 175.26 174.93 1s7a n ASN 4 N 0.27 2.12 -3.15 -1.70 4.05 -1.26 -4.92 115.26 110.67 1s7a n ASN 4 Ca -0.13 1.09 -0.19 0.00 0.45 0.00 0.00 54.58 55.80 1s7a n ASN 4 Cb 0.56 -1.15 0.18 0.00 1.23 0.00 0.00 39.78 40.60 1s7a n ASN 4 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1s7a n GLY 5 N 3.64 -3.64 0.00 8.20 0.00 -1.26 -5.00 105.19 107.14 1s7a n GLY 5 Ca 0.24 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1s7a n GLY 5 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1s7a n ASP 6 N -4.70 0.00 -0.69 1.61 5.75 -1.26 -5.01 116.55 112.26 1s7a n ASP 6 Ca 0.09 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.84 1s7a n ASP 6 Cb 0.38 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.45 1s7a n ASP 6 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1s7a n ASN 7 N 0.00 -0.37 0.06 -1.12 6.94 -1.26 -4.97 115.26 114.55 1s7a n ASN 7 Ca 0.00 -1.38 -0.13 0.00 -0.02 0.00 0.00 54.58 53.05 1s7a n ASN 7 Cb 0.00 0.11 -0.08 0.00 -2.36 0.00 0.00 39.78 37.45 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 0.00 -0.11 -0.52 -3.83 5.08 -2.00 -1.35 114.58 111.85 1s7a h GLU 8 Ca -0.21 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 1s7a h GLU 8 Cb 1.16 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1s7a h GLU 8 CO -0.11 0.09 0.18 -0.22 -1.00 0.00 0.00 179.01 177.95 1s7a h LYS 9 N -0.28 0.80 -0.69 2.33 3.11 -2.01 -2.59 116.57 117.24 1s7a h LYS 9 Ca -0.01 -0.16 0.03 0.00 -2.81 0.00 0.00 60.65 57.70 1s7a h LYS 9 Cb 0.24 -0.12 -0.04 0.00 -1.00 0.00 0.00 32.23 31.31 1s7a h LYS 9 CO 0.02 0.73 0.45 1.98 -2.81 0.00 0.00 179.45 179.82 1s7a h MET 10 N 0.71 0.82 -0.70 1.90 4.05 -1.91 -1.60 114.93 118.20 1s7a h MET 10 Ca 0.17 -0.05 0.03 0.00 -0.28 0.00 0.00 59.70 59.58 1s7a h MET 10 Cb 0.24 -0.19 -0.05 0.00 -0.80 0.00 0.00 31.60 30.81 1s7a h MET 10 CO -0.01 0.54 0.44 0.00 0.23 0.00 0.00 176.91 178.11 1s7a h ALA 11 N 1.59 0.92 -0.09 0.39 0.00 -0.84 -1.53 119.26 119.71 1s7a h ALA 11 Ca 0.27 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 1s7a h ALA 11 Cb 0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1s7a h ALA 11 CO -0.07 0.20 -0.54 0.00 0.00 0.00 0.00 179.25 178.84 1s7a h ALA 12 N 1.31 0.92 -0.61 0.00 0.00 -1.28 -3.09 119.26 116.50 1s7a h ALA 12 Ca 0.29 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1s7a h ALA 12 Cb 0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1s7a h ALA 12 CO -0.12 0.68 0.35 1.25 0.00 0.00 0.00 179.25 181.42 1s7a h LEU 13 N 0.20 0.76 -0.37 0.00 6.46 -0.40 -1.05 115.31 120.91 1s7a h LEU 13 Ca 0.00 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1s7a h LEU 13 Cb 1.02 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.74 1s7a h LEU 13 CO 0.08 0.62 0.24 -0.08 -0.62 0.00 0.00 178.44 178.68 1s7a h GLU 14 N 0.83 0.49 -0.38 1.25 4.81 -1.27 -2.33 114.58 117.99 1s7a h GLU 14 Ca 0.22 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1s7a h GLU 14 Cb 0.02 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1s7a h GLU 14 CO -0.04 0.34 -0.01 0.00 -0.73 0.00 0.00 179.01 178.58 1s7a h ALA 15 N 1.12 1.28 -1.00 2.92 0.00 -1.44 -2.56 119.26 119.58 1s7a h ALA 15 Ca 0.13 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1s7a h ALA 15 Cb -0.03 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 1s7a h ALA 15 CO -0.03 0.48 0.66 0.87 0.00 0.00 0.00 179.25 181.23 1s7a h LYS 16 N 0.57 1.25 -0.17 0.00 1.57 -0.65 -0.85 116.57 118.29 1s7a h LYS 16 Ca 0.12 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 1s7a h LYS 16 Cb 0.38 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1s7a h LYS 16 CO 0.01 0.83 -0.21 0.82 -0.57 0.00 0.00 179.45 180.33 1s7a h ILE 17 N 1.29 1.35 -0.76 1.86 2.04 -1.16 -2.39 117.51 119.74 1s7a h ILE 17 Ca 0.39 -1.41 0.02 0.00 1.00 0.00 0.00 64.86 64.85 1s7a h ILE 17 Cb -0.05 1.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 1s7a h ILE 17 CO -0.11 0.42 0.49 0.00 0.00 0.00 0.00 178.15 178.96 1s7a h HIS 19 N 0.99 0.76 -0.11 0.00 3.86 -1.14 -1.86 115.15 117.65 1s7a h HIS 19 Ca 0.29 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 1s7a h HIS 19 Cb -0.07 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.18 1s7a h HIS 19 CO -0.03 0.70 0.05 1.96 0.86 0.00 0.00 177.93 181.47 1s7a h GLN 20 N 0.69 0.16 -0.65 2.45 1.08 -0.83 -1.10 115.11 116.91 1s7a h GLN 20 Ca 0.14 -0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.37 1s7a h GLN 20 Cb 0.38 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.75 1s7a h GLN 20 CO 0.01 0.25 0.43 0.82 -0.95 0.00 0.00 178.83 179.39 1s7a h ILE 21 N 0.03 1.04 -0.40 2.54 1.08 -1.21 0.99 117.51 121.58 1s7a h ILE 21 Ca 0.04 -0.24 -0.03 0.00 -0.39 0.00 0.00 64.86 64.24 1s7a h ILE 21 Cb 0.15 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 34.16 1s7a h ILE 21 CO -0.00 0.13 0.12 -0.08 -0.69 0.00 0.00 178.15 177.62 1s7a h GLU 22 N 0.70 0.59 -0.54 2.37 4.81 -0.49 -1.78 114.58 120.24 1s7a h GLU 22 Ca 0.27 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1s7a h GLU 22 Cb 0.19 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 1s7a h GLU 22 CO -0.08 0.52 0.36 -0.92 -0.73 0.00 0.00 179.01 178.16 1s7a h TYR 23 N 0.58 0.68 0.12 0.92 3.20 0.42 4.91 116.97 127.80 1s7a h TYR 23 Ca 0.14 0.02 -0.27 0.00 3.14 0.00 0.00 58.73 61.76 1s7a h TYR 23 Cb 0.19 -0.23 0.03 0.00 1.54 0.00 0.00 36.73 38.26 1s7a h TYR 23 CO 0.01 0.43 -1.11 1.88 -1.64 0.00 0.00 178.16 177.72 1s7a h TYR 24 N 0.73 0.89 0.00 -3.82 0.05 -1.43 -2.71 116.97 110.68 1s7a h TYR 24 Ca 0.20 -0.57 -0.08 0.00 0.05 0.00 0.00 58.73 58.33 1s7a h TYR 24 Cb -0.08 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 1s7a h TYR 24 CO -0.04 1.42 -1.64 1.19 -1.05 0.00 0.00 178.16 178.04 1s7a n PHE 25 N -3.90 0.00 -0.28 4.88 3.72 -0.69 -2.13 117.46 119.06 1s7a n PHE 25 Ca -0.14 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.26 1s7a n PHE 25 Cb 0.93 -0.38 0.03 0.00 -0.94 0.00 0.00 39.48 39.12 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 1.99 -1.47 0.00 1.37 0.00 1.61 -4.67 105.19 104.02 1s7a n GLY 26 Ca -0.08 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 -5.06 0.00 0.03 1.61 2.03 -1.24 -4.90 116.55 109.02 1s7a n ASP 27 Ca 0.07 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.19 1s7a n ASP 27 Cb 0.29 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.55 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 0.44 0.04 -0.67 0.04 -1.82 -3.34 116.94 111.65 1s7a h PHE 28 Ca 0.00 -0.32 -0.23 0.00 2.80 0.00 0.00 57.97 60.22 1s7a h PHE 28 Cb 0.00 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 1s7a h PHE 28 CO 0.00 1.27 -1.03 -0.91 -0.60 0.00 0.00 178.31 177.04 1s7a h ASN 29 N -0.48 0.32 -0.82 2.17 4.21 -1.58 -3.33 115.58 116.07 1s7a h ASN 29 Ca -0.13 -0.30 0.05 0.00 1.21 0.00 0.00 56.30 57.14 1s7a h ASN 29 Cb 1.53 -0.10 -0.06 0.00 -1.12 0.00 0.00 38.32 38.58 1s7a h ASN 29 CO 0.12 1.16 0.51 -0.07 -1.29 0.00 0.00 177.43 177.86 1s7a h LEU 30 N 0.10 0.81 -1.41 1.61 3.38 -1.58 3.90 115.31 122.12 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 1.71 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.29 1s7a h LEU 30 CO 0.16 0.54 0.05 -0.65 0.09 0.00 0.00 178.44 178.62 1s7a h PRO 31 N 0.95 0.00 0.00 1.13 0.11 -1.67 -3.14 132.00 129.38 1s7a h PRO 31 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 1s7a h PRO 31 Cb 0.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.22 1s7a h PRO 31 CO -0.15 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.18 1s7a n ARG 32 N -2.26 0.00 -1.55 1.05 1.74 -0.53 -4.97 116.66 110.13 1s7a n ARG 32 Ca -0.01 -0.10 -0.31 0.00 -0.77 0.00 0.00 57.85 56.66 1s7a n ARG 32 Cb 0.08 -0.27 -0.04 0.00 -1.02 0.00 0.00 32.46 31.21 1s7a n ARG 32 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1s7a s ASP 33 N 0.00 4.28 -0.01 0.55 1.01 1.28 -4.77 116.67 119.00 1s7a s ASP 33 Ca 0.00 0.85 -0.21 0.00 0.71 0.00 0.00 52.55 53.89 1s7a s ASP 33 Cb 0.00 -2.51 -0.23 0.00 1.01 0.00 0.00 42.92 41.19 1s7a s ASP 33 CO 0.00 -3.13 1.09 0.11 0.21 0.00 0.00 175.17 173.44 1s7a h LYS 34 N 18.07 0.32 -0.26 8.23 1.79 -1.92 -2.45 116.57 140.36 1s7a h LYS 34 Ca -0.18 -0.33 -0.12 0.00 -2.18 0.00 0.00 60.65 57.83 1s7a h LYS 34 Cb 1.21 0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1s7a h LYS 34 CO 1.12 1.02 -0.32 0.27 -1.08 0.00 0.00 179.45 180.46 1s7a h PHE 35 N -0.24 0.82 -0.34 -1.35 -5.15 -1.98 -2.91 116.94 105.78 1s7a h PHE 35 Ca -0.05 -0.26 -0.03 0.00 -0.20 0.00 0.00 57.97 57.42 1s7a h PHE 35 Cb 1.16 -0.17 -0.02 0.00 0.22 0.00 0.00 35.95 37.15 1s7a h PHE 35 CO 0.16 1.01 0.07 -0.07 -2.00 0.00 0.00 178.31 177.48 1s7a h LEU 36 N 0.40 0.46 -1.85 2.10 3.38 -1.95 -0.34 115.31 117.51 1s7a h LEU 36 Ca 0.03 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1s7a h LEU 36 Cb 0.90 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 1s7a h LEU 36 CO 0.08 0.48 0.01 0.50 0.09 0.00 0.00 178.44 179.60 1s7a h LYS 37 N 0.50 0.11 -0.04 1.13 1.63 -1.25 0.40 116.57 119.04 1s7a h LYS 37 Ca 0.12 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.88 1s7a h LYS 37 Cb 0.21 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1s7a h LYS 37 CO -0.00 0.11 -0.07 0.93 -3.45 0.00 0.00 179.45 176.97 1s7a h GLU 38 N 0.11 0.12 -0.06 1.90 4.39 -0.88 0.66 114.58 120.81 1s7a h GLU 38 Ca 0.03 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1s7a h GLU 38 Cb 0.05 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1s7a h GLU 38 CO -0.00 0.63 -0.07 0.37 -1.16 0.00 0.00 179.01 178.78 1s7a h GLN 39 N -0.38 0.16 -0.73 2.33 5.75 -1.07 0.25 115.11 121.43 1s7a h GLN 39 Ca 0.00 -0.09 -0.02 0.00 -0.15 0.00 0.00 58.65 58.40 1s7a h GLN 39 Cb 0.62 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.14 1s7a h GLN 39 CO 0.02 0.61 0.37 0.97 -2.65 0.00 0.00 178.83 178.14 1s7a h ILE 40 N -0.29 1.23 0.00 2.39 6.09 -0.31 -2.25 117.51 124.36 1s7a h ILE 40 Ca 0.01 -0.61 -0.13 0.00 -1.37 0.00 0.00 64.86 62.76 1s7a h ILE 40 Cb 0.58 0.27 -0.02 0.00 0.47 0.00 0.00 36.82 38.13 1s7a h ILE 40 CO 0.02 0.26 -0.61 0.50 -3.07 0.00 0.00 178.15 175.25 1s7a h LYS 41 N 1.02 0.00 0.00 2.19 3.64 -0.81 -1.34 116.57 121.28 1s7a h LYS 41 Ca 0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1s7a h LYS 41 Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1s7a h LYS 41 CO -0.04 0.61 0.00 -0.11 -2.27 0.00 0.00 179.45 177.65 1s7a n LEU 42 N -3.33 0.00 0.00 5.20 7.94 0.89 -4.74 117.00 122.96 1s7a n LEU 42 Ca 0.01 0.38 0.00 0.00 -1.11 0.00 0.00 56.01 55.29 1s7a n LEU 42 Cb 0.75 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.70 1s7a n LEU 42 CO 0.42 0.00 0.00 -0.67 -1.11 0.00 0.00 177.39 176.03 1s7a n ASP 43 N -0.57 0.00 -1.17 1.96 -0.08 -1.24 -4.87 116.55 110.58 1s7a n ASP 43 Ca 0.00 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.39 1s7a n ASP 43 Cb 0.00 0.00 0.28 0.00 2.34 0.00 0.00 41.12 43.74 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 2.49 0.00 -0.67 2.13 -1.26 -4.86 120.64 118.46 1s7a n GLU 44 Ca 0.00 -2.29 0.00 0.00 0.66 0.00 0.00 57.16 55.53 1s7a n GLU 44 Cb 0.00 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.20 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 1.52 1.97 3.65 8.31 0.00 -0.51 -4.96 105.19 115.18 1s7a n GLY 45 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.09 2.00 -0.03 1.61 0.52 -1.26 -4.20 118.94 115.49 1s7a s TRP 46 Ca 0.00 0.27 0.01 0.00 0.02 0.00 0.00 56.10 56.40 1s7a s TRP 46 Cb 0.00 -3.92 -0.03 0.00 -1.15 0.00 0.00 33.47 28.37 1s7a s TRP 46 CO 0.00 -3.67 -0.03 0.08 0.02 0.00 0.00 176.95 173.34 1s7a s VAL 47 N 4.30 3.94 0.12 4.03 1.01 0.43 -4.84 120.40 129.39 1s7a s VAL 47 Ca 0.73 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.98 1s7a s VAL 47 Cb -0.32 -2.70 -0.07 0.00 0.00 0.00 0.00 36.38 33.29 1s7a s VAL 47 CO 0.29 0.46 0.56 -2.16 0.00 0.00 0.00 175.10 174.26 1s7a s PRO 48 N -1.26 4.08 0.00 2.72 0.04 -1.26 0.17 135.00 139.49 1s7a s PRO 48 Ca 0.16 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.81 1s7a s PRO 48 Cb -0.11 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1s7a s PRO 48 CO 0.06 0.54 0.47 1.28 0.04 0.00 0.00 177.00 179.39 1s7a n LEU 49 N 1.18 0.00 -0.10 -3.56 4.77 -1.24 -2.42 117.00 115.62 1s7a n LEU 49 Ca -0.07 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.81 1s7a n LEU 49 Cb 0.51 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1s7a n LEU 49 CO 0.42 0.00 0.88 1.05 -1.33 0.00 0.00 177.39 178.41 1s7a h GLU 50 N 0.00 0.47 -0.37 3.23 4.11 -1.91 1.77 114.58 121.88 1s7a h GLU 50 Ca 0.00 -0.09 -0.08 0.00 0.07 0.00 0.00 59.36 59.26 1s7a h GLU 50 Cb 0.00 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1s7a h GLU 50 CO 0.00 0.49 -0.11 0.82 0.07 0.00 0.00 179.01 180.28 1s7a h ILE 51 N 0.35 1.25 0.09 -1.06 2.04 -1.89 -1.95 117.51 116.33 1s7a h ILE 51 Ca 0.10 -1.09 -0.19 0.00 1.00 0.00 0.00 64.86 64.68 1s7a h ILE 51 Cb 0.20 1.08 0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1s7a h ILE 51 CO -0.01 0.37 -0.79 0.24 0.00 0.00 0.00 178.15 177.96 1s7a h MET 52 N 0.59 0.38 0.00 2.37 2.86 -1.59 -1.52 114.93 118.03 1s7a h MET 52 Ca 0.11 -0.53 0.00 0.00 -2.06 0.00 0.00 59.70 57.22 1s7a h MET 52 Cb 0.53 0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.37 1s7a h MET 52 CO 0.03 1.21 0.00 -0.89 1.06 0.00 0.00 176.91 178.32 1s7a n ILE 53 N -4.12 0.00 0.00 -1.22 -0.00 0.60 -3.00 119.36 111.61 1s7a n ILE 53 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.62 1s7a n ILE 53 Cb 0.79 -0.56 0.00 0.00 -0.00 0.00 0.00 39.64 39.87 1s7a n ILE 53 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 1s7a n LYS 54 N -0.89 2.42 -2.19 0.38 4.81 -0.74 -4.59 118.16 117.35 1s7a n LYS 54 Ca 0.12 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.15 1s7a n LYS 54 Cb 0.06 -0.98 -0.03 0.00 0.02 0.00 0.00 35.03 34.10 1s7a n LYS 54 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1s7a s PHE 55 N -1.94 3.23 0.64 5.64 0.08 -0.58 -4.75 117.98 120.30 1s7a s PHE 55 Ca 0.00 1.17 0.34 0.00 0.12 0.00 0.00 56.93 58.56 1s7a s PHE 55 Cb 0.00 -3.63 1.87 0.00 -0.57 0.00 0.00 43.02 40.69 1s7a s PHE 55 CO 0.00 -2.01 2.11 -0.91 -0.10 0.00 0.00 175.22 174.31 1s7a h ASN 56 N 5.48 0.00 -0.64 1.36 4.21 -1.91 0.52 115.58 124.59 1s7a h ASN 56 Ca -0.45 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.04 1s7a h ASN 56 Cb 1.21 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.38 1s7a h ASN 56 CO 0.78 0.00 0.32 0.03 -1.29 0.00 0.00 177.43 177.27 1s7a h ARG 57 N 0.00 0.92 0.00 0.81 3.08 -1.89 -3.06 114.38 114.23 1s7a h ARG 57 Ca 0.04 -0.13 -0.23 0.00 0.07 0.00 0.00 59.98 59.72 1s7a h ARG 57 Cb 0.44 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 1s7a h ARG 57 CO -0.00 0.73 -1.89 -0.11 -1.07 0.00 0.00 179.97 177.63 1s7a n LEU 58 N -4.49 1.80 0.28 3.04 0.00 -0.52 -4.44 117.00 112.66 1s7a n LEU 58 Ca 0.05 -0.05 0.18 0.00 0.00 0.00 0.00 56.01 56.18 1s7a n LEU 58 Cb 0.12 -0.21 0.90 0.00 0.00 0.00 0.00 43.42 44.23 1s7a n LEU 58 CO 0.38 0.59 1.15 -1.13 0.00 0.00 0.00 177.39 178.38 1s7a h ASN 59 N 0.00 0.00 -0.38 1.96 -0.00 0.02 -1.58 115.58 115.59 1s7a h ASN 59 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.95 1s7a h ASN 59 Cb 1.64 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 39.94 1s7a h ASN 59 CO -0.03 0.00 0.25 -0.09 -0.00 0.00 0.00 177.43 177.56 1s7a h ARG 60 N 0.00 0.51 0.00 6.67 2.43 -1.72 -3.39 114.38 118.88 1s7a h ARG 60 Ca 0.04 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1s7a h ARG 60 Cb 0.52 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1s7a h ARG 60 CO -0.00 0.35 0.00 1.28 -1.51 0.00 0.00 179.97 180.09 1s7a n LEU 61 N -4.81 0.00 -4.42 3.80 7.99 -0.60 -5.01 117.00 113.96 1s7a n LEU 61 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 56.01 55.75 1s7a n LEU 61 Cb 0.03 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.23 1s7a n LEU 61 CO 0.35 0.00 -0.51 -0.89 -1.51 0.00 0.00 177.39 174.83 1s7a s THR 62 N 0.00 2.27 0.00 -5.08 2.01 -1.24 -5.03 115.64 108.57 1s7a s THR 62 Ca 0.00 -2.12 0.00 0.00 0.31 0.00 0.00 61.69 59.88 1s7a s THR 62 Cb 0.00 -2.12 0.00 0.00 0.01 0.00 0.00 72.50 70.39 1s7a s THR 62 CO 0.00 -0.24 0.34 0.35 -0.69 0.00 0.00 174.62 174.38 1s7a n THR 63 N 0.02 0.06 -1.86 -0.82 -2.24 -1.26 -4.50 114.28 103.69 1s7a n THR 63 Ca -0.11 -0.31 -0.36 0.00 -2.27 0.00 0.00 64.05 61.01 1s7a n THR 63 Cb 0.57 1.36 -0.03 0.00 -2.10 0.00 0.00 70.33 70.13 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 -0.06 4.92 0.34 3.42 1.01 -1.26 -4.79 116.67 120.24 1s7a s ASP 64 Ca 0.00 0.50 0.24 0.00 0.71 0.00 0.00 52.55 54.00 1s7a s ASP 64 Cb 0.00 -2.52 1.17 0.00 1.01 0.00 0.00 42.92 42.57 1s7a s ASP 64 CO 0.00 -2.64 1.25 0.49 0.21 0.00 0.00 175.17 174.48 1s7a n PHE 65 N 14.17 0.66 -0.08 4.23 3.01 -1.26 0.20 117.46 138.38 1s7a n PHE 65 Ca 0.28 0.66 -0.15 0.00 1.01 0.00 0.00 57.45 59.26 1s7a n PHE 65 Cb 0.52 -1.08 -0.05 0.00 -0.01 0.00 0.00 39.48 38.87 1s7a n PHE 65 CO 0.00 0.00 0.00 -2.95 1.01 0.00 0.00 176.76 174.82 1s7a h ASN 66 N 0.00 0.90 -0.16 4.37 -1.07 -1.89 -2.18 115.58 115.54 1s7a h ASN 66 Ca 0.70 -0.53 -0.09 0.00 0.07 0.00 0.00 56.30 56.46 1s7a h ASN 66 Cb 2.16 -0.26 -0.00 0.00 -2.07 0.00 0.00 38.32 38.15 1s7a h ASN 66 CO -0.43 1.26 -0.24 0.58 0.07 0.00 0.00 177.43 178.66 1s7a h VAL 67 N 0.58 1.35 -0.09 6.14 2.07 0.18 -0.77 116.25 125.71 1s7a h VAL 67 Ca 0.02 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.08 1s7a h VAL 67 Cb 1.08 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 32.75 1s7a h VAL 67 CO 0.11 0.44 0.03 0.40 0.02 0.00 0.00 177.57 178.57 1s7a h ILE 68 N 0.09 1.16 -0.43 4.57 5.03 -1.29 -1.61 117.51 125.04 1s7a h ILE 68 Ca 0.02 -0.48 -0.04 0.00 -0.12 0.00 0.00 64.86 64.23 1s7a h ILE 68 Cb 0.81 1.32 -0.02 0.00 -3.03 0.00 0.00 36.82 35.90 1s7a h ILE 68 CO 0.06 0.14 0.10 -0.37 -0.68 0.00 0.00 178.15 177.40 1s7a h VAL 69 N -0.03 1.23 -0.37 1.67 -1.51 -1.46 -2.30 116.25 113.49 1s7a h VAL 69 Ca 0.03 -0.81 0.03 0.00 -1.23 0.00 0.00 66.70 64.72 1s7a h VAL 69 Cb 0.19 0.95 -0.02 0.00 -2.13 0.00 0.00 31.29 30.28 1s7a h VAL 69 CO -0.00 0.28 0.25 -0.08 -1.23 0.00 0.00 177.57 176.79 1s7a h GLU 70 N 0.55 0.39 -0.20 5.19 4.22 -1.04 0.60 114.58 124.29 1s7a h GLU 70 Ca 0.13 -0.02 -0.06 0.00 0.08 0.00 0.00 59.36 59.49 1s7a h GLU 70 Cb 0.32 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1s7a h GLU 70 CO 0.00 0.26 -0.10 0.00 -2.18 0.00 0.00 179.01 176.99 1s7a h ALA 71 N 1.78 0.28 0.00 2.92 0.00 -0.76 -3.00 119.26 120.48 1s7a h ALA 71 Ca 0.15 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1s7a h ALA 71 Cb 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1s7a h ALA 71 CO -0.03 0.11 -0.43 -0.07 0.00 0.00 0.00 179.25 178.83 1s7a h LEU 72 N 0.11 0.00 -1.68 0.00 3.38 -0.89 -2.78 115.31 113.45 1s7a h LEU 72 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1s7a h LEU 72 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1s7a h LEU 72 CO 0.03 0.43 0.42 -1.28 0.09 0.00 0.00 178.44 178.12 1s7a h SER 73 N 0.00 0.00 0.00 -0.43 0.87 -0.75 0.50 113.55 113.74 1s7a h SER 73 Ca -0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1s7a h SER 73 Cb 0.82 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.78 1s7a h SER 73 CO 0.06 0.00 -1.50 1.17 -0.53 0.00 0.00 176.83 176.03 1s7a n LYS 74 N -2.79 0.71 -1.04 2.24 0.00 -1.06 -5.02 118.16 111.20 1s7a n LYS 74 Ca -0.02 -0.08 -0.34 0.00 0.00 0.00 0.00 58.31 57.88 1s7a n LYS 74 Cb 0.46 -1.24 0.12 0.00 0.00 0.00 0.00 35.03 34.36 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 -1.95 -0.26 -3.19 3.14 3.41 0.16 -4.98 113.62 109.96 1s7a n SER 75 Ca -0.04 0.52 -0.21 0.00 -0.26 0.00 0.00 58.87 58.88 1s7a n SER 75 Cb 0.37 -1.37 -0.05 0.00 -0.26 0.00 0.00 64.21 62.90 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 -2.39 0.86 -0.25 4.33 2.85 -1.26 -4.91 118.16 117.38 1s7a n LYS 76 Ca 0.11 -3.30 0.04 0.00 -1.05 0.00 0.00 58.31 54.10 1s7a n LYS 76 Cb 0.51 -1.49 0.14 0.00 -0.65 0.00 0.00 35.03 33.54 1s7a n LYS 76 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1s7a n ALA 77 N 0.77 2.76 -0.22 0.58 0.00 -1.26 -4.92 120.51 118.22 1s7a n ALA 77 Ca 0.23 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1s7a n ALA 77 Cb 0.60 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 0.29 0.00 -0.00 0.00 2.13 -1.26 -3.65 120.64 118.15 1s7a n GLU 78 Ca 0.10 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.92 1s7a n GLU 78 Cb 0.44 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.15 1s7a n GLU 78 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1s7a n LEU 79 N 0.00 -0.01 -4.74 4.31 -0.00 -1.26 -4.29 117.00 111.01 1s7a n LEU 79 Ca 0.00 0.21 -0.29 0.00 -0.00 0.00 0.00 56.01 55.93 1s7a n LEU 79 Cb 0.00 -0.10 0.15 0.00 -0.00 0.00 0.00 43.42 43.47 1s7a n LEU 79 CO 0.00 -0.11 0.68 -0.32 -0.00 0.00 0.00 177.39 177.65 1s7a s MET 80 N -3.07 0.84 -0.24 1.96 1.75 -1.24 -3.33 119.30 115.97 1s7a s MET 80 Ca -0.00 0.38 -0.06 0.00 -1.25 0.00 0.00 55.69 54.75 1s7a s MET 80 Cb 0.00 -1.80 0.12 0.00 2.84 0.00 0.00 34.83 35.99 1s7a s MET 80 CO 0.00 -2.42 0.49 -1.83 -0.65 0.00 0.00 175.02 170.62 1s7a s GLU 81 N -5.15 0.42 0.10 4.11 -1.05 -0.79 -4.80 118.70 111.53 1s7a s GLU 81 Ca 0.64 1.04 -0.19 0.00 -0.15 0.00 0.00 54.97 56.31 1s7a s GLU 81 Cb -0.16 0.35 -0.07 0.00 -0.44 0.00 0.00 34.13 33.80 1s7a s GLU 81 CO 0.55 -0.35 0.60 0.42 0.95 0.00 0.00 175.26 177.43 1s7a s ILE 82 N 2.70 4.70 1.24 1.83 1.09 -1.26 -2.82 121.20 128.68 1s7a s ILE 82 Ca 0.03 1.23 -0.16 0.00 -1.10 0.00 0.00 60.65 60.65 1s7a s ILE 82 Cb -0.13 -3.90 0.31 0.00 -1.06 0.00 0.00 42.46 37.68 1s7a s ILE 82 CO -0.16 0.49 1.00 -0.94 -0.10 0.00 0.00 174.94 175.23 1s7a s SER 83 N -1.23 0.37 0.13 3.58 1.04 -1.21 -4.91 113.70 111.47 1s7a s SER 83 Ca 0.32 1.29 0.26 0.00 0.48 0.00 0.00 55.95 58.29 1s7a s SER 83 Cb -0.19 -1.96 0.74 0.00 0.10 0.00 0.00 66.02 64.70 1s7a s SER 83 CO 0.20 -4.55 1.65 -0.62 0.98 0.00 0.00 173.24 170.90 1s7a n GLU 84 N -5.13 0.20 0.07 4.02 -0.58 -1.26 -3.43 120.64 114.52 1s7a n GLU 84 Ca 0.05 0.12 0.10 0.00 -0.42 0.00 0.00 57.16 57.02 1s7a n GLU 84 Cb 0.56 -1.69 0.43 0.00 -0.57 0.00 0.00 31.44 30.17 1s7a n GLU 84 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1s7a n ASP 85 N -2.01 0.38 -3.50 1.62 -0.08 -1.26 -4.88 116.55 106.82 1s7a n ASP 85 Ca 0.05 0.58 -0.24 0.00 -1.51 0.00 0.00 54.79 53.67 1s7a n ASP 85 Cb 0.41 -0.67 0.07 0.00 2.34 0.00 0.00 41.12 43.27 1s7a n ASP 85 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1s7a n LYS 86 N -1.90 -7.42 -0.45 -0.67 5.02 -1.22 -4.84 118.16 106.67 1s7a n LYS 86 Ca 0.03 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.17 1s7a n LYS 86 Cb 0.24 -5.87 0.00 0.00 -0.02 0.00 0.00 35.03 29.38 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 -4.93 0.00 -3.47 -0.18 5.66 -1.26 -4.68 114.28 105.42 1s7a n THR 87 Ca -0.01 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.85 1s7a n THR 87 Cb 0.57 0.26 -0.04 0.00 -1.55 0.00 0.00 70.33 69.58 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 1.13 0.02 1.09 -2.85 -1.26 -3.72 119.74 114.15 1s7a s LYS 88 Ca 0.00 -0.16 0.04 0.00 -1.00 0.00 0.00 55.97 54.85 1s7a s LYS 88 Cb 0.00 0.52 -0.02 0.00 -2.06 0.00 0.00 37.83 36.28 1s7a s LYS 88 CO 0.00 -0.44 -0.11 0.96 0.10 0.00 0.00 175.35 175.86 1s7a s ILE 89 N -2.63 0.85 0.05 3.79 -4.36 0.45 -3.36 121.20 115.99 1s7a s ILE 89 Ca -0.03 -0.73 -0.03 0.00 -0.26 0.00 0.00 60.65 59.60 1s7a s ILE 89 Cb -0.01 -0.77 -0.03 0.00 1.25 0.00 0.00 42.46 42.91 1s7a s ILE 89 CO -0.04 0.04 0.02 -0.60 0.24 0.00 0.00 174.94 174.61 1s7a s ARG 90 N -0.77 0.59 -0.15 0.37 3.52 -1.13 0.16 118.95 121.54 1s7a s ARG 90 Ca 0.01 -1.00 -0.08 0.00 -0.13 0.00 0.00 55.73 54.52 1s7a s ARG 90 Cb -0.06 0.22 -0.04 0.00 -1.56 0.00 0.00 34.95 33.50 1s7a s ARG 90 CO 0.00 -0.13 0.13 0.50 -0.81 0.00 0.00 175.30 175.00 1s7a s ARG 91 N -3.29 3.72 -0.36 5.12 3.52 -1.26 -1.89 118.95 124.51 1s7a s ARG 91 Ca 0.01 -0.18 -0.28 0.00 -0.13 0.00 0.00 55.73 55.16 1s7a s ARG 91 Cb 0.03 -3.26 -0.03 0.00 -1.56 0.00 0.00 34.95 30.13 1s7a s ARG 91 CO -0.08 0.59 2.00 -1.12 -0.81 0.00 0.00 175.30 175.87 1s7a s SER 92 N -0.47 5.51 0.58 -2.12 0.01 -1.21 -4.78 113.70 111.21 1s7a s SER 92 Ca 0.12 1.30 0.35 0.00 1.31 0.00 0.00 55.95 59.03 1s7a s SER 92 Cb -0.12 -2.52 1.79 0.00 0.21 0.00 0.00 66.02 65.38 1s7a s SER 92 CO 0.02 -2.02 2.17 1.55 0.41 0.00 0.00 173.24 175.37 1s7a h PRO 93 N 14.59 0.00 -0.15 12.44 0.13 -1.94 0.51 132.00 157.58 1s7a h PRO 93 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1s7a h PRO 93 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1s7a h PRO 93 CO 1.05 0.05 0.00 0.43 -0.23 0.00 0.00 178.00 179.30 1s7a n SER 94 N -3.36 1.49 -4.19 1.44 7.64 -1.26 -4.76 113.62 110.62 1s7a n SER 94 Ca -0.02 -1.69 -0.33 0.00 1.01 0.00 0.00 58.87 57.84 1s7a n SER 94 Cb 0.18 -0.10 -0.16 0.00 -1.01 0.00 0.00 64.21 63.12 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 -1.80 3.06 0.55 1.43 2.47 0.17 -5.10 119.74 120.51 1s7a s LYS 95 Ca 0.31 -0.83 -0.20 0.00 -1.56 0.00 0.00 55.97 53.69 1s7a s LYS 95 Cb 0.17 -2.50 -0.05 0.00 -1.46 0.00 0.00 37.83 33.99 1s7a s LYS 95 CO 0.25 -0.03 1.21 -1.25 0.16 0.00 0.00 175.35 175.69 1s7a s PRO 96 N 0.87 3.22 -0.19 4.03 0.04 -1.26 -4.81 135.00 136.90 1s7a s PRO 96 Ca -0.05 1.84 0.01 0.00 0.04 0.00 0.00 61.00 62.84 1s7a s PRO 96 Cb -0.15 -2.09 0.04 0.00 0.04 0.00 0.00 34.50 32.34 1s7a s PRO 96 CO -0.03 -1.01 -0.14 -0.48 0.04 0.00 0.00 177.00 175.39 1s7a s LEU 97 N -3.73 2.30 0.32 -3.56 -0.00 -1.26 -5.08 118.68 107.66 1s7a s LEU 97 Ca 0.73 -0.83 -0.03 0.00 -0.00 0.00 0.00 54.13 54.00 1s7a s LEU 97 Cb -0.30 -1.33 -0.04 0.00 -0.00 0.00 0.00 46.19 44.51 1s7a s LEU 97 CO 0.35 -0.10 0.57 -2.16 -0.00 0.00 0.00 176.35 175.00 1s7a s PRO 98 N 1.35 3.57 -0.07 1.48 0.04 -1.26 -4.78 135.00 135.33 1s7a s PRO 98 Ca 0.00 -0.09 -0.08 0.00 0.04 0.00 0.00 61.00 60.87 1s7a s PRO 98 Cb -0.15 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.71 1s7a s PRO 98 CO -0.09 0.17 0.22 -2.00 0.04 0.00 0.00 177.00 175.33 1s7a s GLU 99 N -3.87 3.56 0.06 4.56 2.12 -1.26 -4.58 118.70 119.29 1s7a s GLU 99 Ca 0.43 -0.03 -0.22 0.00 0.36 0.00 0.00 54.97 55.51 1s7a s GLU 99 Cb -0.10 -3.17 -0.06 0.00 0.26 0.00 0.00 34.13 31.05 1s7a s GLU 99 CO 0.33 0.73 0.66 0.14 -0.54 0.00 0.00 175.26 176.59 1s7a s VAL 100 N -1.10 4.71 -0.07 3.70 -7.23 -1.26 -5.06 120.40 114.08 1s7a s VAL 100 Ca 0.20 1.42 -0.05 0.00 -1.81 0.00 0.00 61.98 61.74 1s7a s VAL 100 Cb -0.13 -4.01 -0.04 0.00 0.56 0.00 0.00 36.38 32.76 1s7a s VAL 100 CO 0.09 0.47 0.14 0.42 -0.31 0.00 0.00 175.10 175.90 1s7a s THR 101 N -0.61 5.32 -0.22 5.32 -4.23 -1.26 -5.05 115.64 114.90 1s7a s THR 101 Ca 0.33 -0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.54 1s7a s THR 101 Cb -0.20 -3.38 -0.00 0.00 1.34 0.00 0.00 72.50 70.26 1s7a s THR 101 CO 0.21 0.50 1.21 -0.62 -0.54 0.00 0.00 174.62 175.38 1s7a s ASP 102 N -1.38 6.91 0.00 3.99 2.15 -1.26 -5.29 116.67 121.79 1s7a s ASP 102 Ca 0.20 1.46 0.00 0.00 0.43 0.00 0.00 52.55 54.64 1s7a s ASP 102 Cb -0.12 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 1s7a s ASP 102 CO 0.10 -0.82 0.00 1.21 -0.17 0.00 0.00 175.17 175.48