#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v9b s ILE 2 N 0.00 0.62 0.06 3.17 -4.36 0.04 -1.58 121.20 119.14 1v9b s ILE 2 Ca 0.00 -1.95 0.08 0.00 -0.26 0.00 0.00 60.65 58.51 1v9b s ILE 2 Cb 0.00 -1.92 -0.03 0.00 1.25 0.00 0.00 42.46 41.75 1v9b s ILE 2 CO 0.00 -0.64 -0.19 -0.63 0.24 0.00 0.00 174.94 173.72 1v9b s ILE 3 N -3.69 2.76 -0.05 8.37 1.01 0.05 -2.12 121.20 127.53 1v9b s ILE 3 Ca 0.19 -1.26 0.02 0.00 0.00 0.00 0.00 60.65 59.60 1v9b s ILE 3 Cb 0.06 -2.18 0.01 0.00 0.01 0.00 0.00 42.46 40.36 1v9b s ILE 3 CO -0.00 0.29 -0.12 -0.69 0.00 0.00 0.00 174.94 174.43 1v9b s VAL 4 N -0.96 1.06 -0.09 2.92 1.01 0.38 -0.80 120.40 123.92 1v9b s VAL 4 Ca 0.15 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.70 1v9b s VAL 4 Cb -0.10 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 1v9b s VAL 4 CO 0.06 0.33 -0.18 -0.47 0.00 0.00 0.00 175.10 174.85 1v9b s TYR 5 N 0.53 2.66 0.22 5.22 6.14 0.70 0.00 117.35 132.83 1v9b s TYR 5 Ca -0.11 -0.62 -0.10 0.00 0.64 0.00 0.00 57.07 56.88 1v9b s TYR 5 Cb -0.14 -1.72 -0.01 0.00 0.42 0.00 0.00 41.96 40.51 1v9b s TYR 5 CO 0.03 -0.16 0.38 -0.08 0.64 0.00 0.00 175.55 176.36 1v9b s THR 6 N 0.00 0.01 0.09 4.34 -1.32 -0.96 -1.10 115.64 116.71 1v9b s THR 6 Ca -0.06 -1.51 0.03 0.00 -1.21 0.00 0.00 61.69 58.94 1v9b s THR 6 Cb -0.15 -2.20 -0.04 0.00 -1.51 0.00 0.00 72.50 68.61 1v9b s THR 6 CO 0.05 -0.04 -0.09 0.42 -2.21 0.00 0.00 174.62 172.74 1v9b s THR 7 N -4.04 0.87 0.12 5.08 -4.23 -1.26 -1.06 115.64 111.12 1v9b s THR 7 Ca 0.25 -1.63 0.05 0.00 -1.18 0.00 0.00 61.69 59.17 1v9b s THR 7 Cb 0.01 -1.34 -0.04 0.00 1.34 0.00 0.00 72.50 72.48 1v9b s THR 7 CO 0.08 -0.59 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.09 1v9b s PHE 8 N -2.52 1.27 -0.18 3.99 0.40 -0.35 -4.82 117.98 115.77 1v9b s PHE 8 Ca 0.05 -0.63 0.29 0.00 -0.60 0.00 0.00 56.93 56.04 1v9b s PHE 8 Cb -0.02 -0.66 1.00 0.00 0.51 0.00 0.00 43.02 43.85 1v9b s PHE 8 CO -0.01 0.09 1.84 -1.00 0.70 0.00 0.00 175.22 176.84 1v9b h PRO 9 N 3.33 0.00 -2.96 0.24 0.13 -1.89 -1.18 132.00 129.66 1v9b h PRO 9 Ca -0.38 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.77 1v9b h PRO 9 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1v9b h PRO 9 CO 0.55 0.00 0.28 0.16 -0.23 0.00 0.00 178.00 178.76 1v9b s ASP 10 N -5.57 -0.07 0.12 1.44 1.47 -1.26 -4.74 116.67 108.06 1v9b s ASP 10 Ca 0.04 -0.97 -0.08 0.00 1.18 0.00 0.00 52.55 52.72 1v9b s ASP 10 Cb 0.08 0.79 -0.11 0.00 -0.34 0.00 0.00 42.92 43.35 1v9b s ASP 10 CO 0.56 -1.55 1.30 -0.50 0.68 0.00 0.00 175.17 175.67 1v9b h TRP 11 N 2.00 0.80 0.19 2.11 4.06 -1.97 -2.73 115.95 120.40 1v9b h TRP 11 Ca -0.28 -0.40 0.01 0.00 2.06 0.00 0.00 58.89 60.28 1v9b h TRP 11 Cb 1.25 -0.10 -0.04 0.00 -1.00 0.00 0.00 29.16 29.26 1v9b h TRP 11 CO 1.11 1.22 -0.47 1.49 -3.56 0.00 0.00 178.44 178.23 1v9b h GLU 12 N 0.34 -0.72 -0.56 0.49 4.81 -1.99 0.05 114.58 117.00 1v9b h GLU 12 Ca -0.08 0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1v9b h GLU 12 Cb 1.52 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 31.04 1v9b h GLU 12 CO 0.17 -0.48 0.24 0.66 -0.73 0.00 0.00 179.01 178.87 1v9b h SER 13 N -0.74 0.75 -0.10 1.04 4.64 -1.99 -1.18 113.55 115.97 1v9b h SER 13 Ca -0.00 -0.15 0.03 0.00 -0.47 0.00 0.00 61.79 61.20 1v9b h SER 13 Cb 0.74 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.60 1v9b h SER 13 CO -0.23 0.70 -0.11 0.00 -0.87 0.00 0.00 176.83 176.32 1v9b h ALA 14 N 1.08 -0.04 -0.37 5.18 0.00 -1.19 0.58 119.26 124.50 1v9b h ALA 14 Ca 0.19 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 1v9b h ALA 14 Cb 0.17 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1v9b h ALA 14 CO -0.02 -0.57 -0.32 0.93 0.00 0.00 0.00 179.25 179.26 1v9b h GLU 15 N -0.15 0.82 -0.38 0.00 5.08 -0.93 -1.53 114.58 117.49 1v9b h GLU 15 Ca 0.07 -0.39 0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1v9b h GLU 15 Cb 0.25 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1v9b h GLU 15 CO -0.18 1.02 0.25 -0.22 -1.00 0.00 0.00 179.01 178.88 1v9b h LYS 16 N 0.69 0.50 -0.07 2.33 3.64 -0.86 0.11 116.57 122.90 1v9b h LYS 16 Ca 0.07 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1v9b h LYS 16 Cb 0.87 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1v9b h LYS 16 CO 0.08 0.33 -0.05 0.28 -2.27 0.00 0.00 179.45 177.81 1v9b h VAL 17 N 0.51 1.35 -0.84 2.00 2.07 -0.85 -2.53 116.25 117.96 1v9b h VAL 17 Ca 0.14 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 1v9b h VAL 17 Cb -0.05 1.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 1v9b h VAL 17 CO -0.04 0.32 0.48 0.58 0.02 0.00 0.00 177.57 178.92 1v9b h VAL 18 N -0.24 1.24 -0.05 2.57 2.07 -1.16 -0.90 116.25 119.78 1v9b h VAL 18 Ca 0.01 -0.58 -0.08 0.00 0.82 0.00 0.00 66.70 66.87 1v9b h VAL 18 Cb 0.53 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1v9b h VAL 18 CO 0.01 0.27 -0.32 0.11 0.02 0.00 0.00 177.57 177.66 1v9b h LYS 19 N 1.17 0.10 -0.29 1.57 1.57 -0.82 -0.33 116.57 119.55 1v9b h LYS 19 Ca 0.30 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.88 1v9b h LYS 19 Cb 0.01 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1v9b h LYS 19 CO -0.05 0.42 -0.44 1.15 -0.57 0.00 0.00 179.45 179.95 1v9b h THR 20 N 0.09 1.29 -0.61 -0.16 2.02 -0.93 0.53 112.91 115.14 1v9b h THR 20 Ca 0.01 -1.63 -0.09 0.00 0.77 0.00 0.00 66.41 65.47 1v9b h THR 20 Cb 0.62 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.64 1v9b h THR 20 CO 0.05 0.53 0.03 -0.07 0.37 0.00 0.00 175.52 176.43 1v9b h LEU 21 N 0.57 1.00 -0.19 2.58 3.38 -0.82 -1.50 115.31 120.33 1v9b h LEU 21 Ca 0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1v9b h LEU 21 Cb 1.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1v9b h LEU 21 CO 0.10 1.04 0.04 -0.07 0.09 0.00 0.00 178.44 179.64 1v9b h LEU 22 N 0.96 0.30 -0.98 1.67 3.38 -0.94 0.78 115.31 120.49 1v9b h LEU 22 Ca 0.18 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.96 1v9b h LEU 22 Cb 0.51 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1v9b h LEU 22 CO 0.02 0.47 0.63 0.50 0.09 0.00 0.00 178.44 180.16 1v9b h LYS 23 N 0.12 1.13 -0.08 1.13 3.64 -0.69 0.16 116.57 121.98 1v9b h LYS 23 Ca 0.06 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1v9b h LYS 23 Cb 0.30 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1v9b h LYS 23 CO 0.00 0.75 0.00 0.39 -2.27 0.00 0.00 179.45 178.32 1v9b n GLU 24 N -4.51 1.38 -3.90 1.90 1.02 -0.58 -4.93 120.64 111.03 1v9b n GLU 24 Ca 0.14 -0.58 -0.29 0.00 -0.02 0.00 0.00 57.16 56.42 1v9b n GLU 24 Cb 0.16 -1.36 0.02 0.00 -0.02 0.00 0.00 31.44 30.24 1v9b n GLU 24 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1v9b n ARG 25 N -0.22 -5.31 0.07 3.49 1.74 0.56 -4.73 116.66 112.26 1v9b n ARG 25 Ca 0.16 0.59 0.12 0.00 -0.77 0.00 0.00 57.85 57.95 1v9b n ARG 25 Cb 0.21 -5.41 0.18 0.00 -1.02 0.00 0.00 32.46 26.42 1v9b n ARG 25 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1v9b h LEU 26 N -2.04 0.00 -8.01 0.55 3.38 -1.12 -1.30 115.31 106.77 1v9b h LEU 26 Ca -0.59 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.10 1v9b h LEU 26 Cb 1.37 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.97 1v9b h LEU 26 CO 0.66 0.09 -0.54 0.27 0.09 0.00 0.00 178.44 179.01 1v9b s ILE 27 N -3.17 0.17 -0.95 1.22 -4.36 -1.24 -4.75 121.20 108.11 1v9b s ILE 27 Ca 0.06 -1.42 0.22 0.00 -0.26 0.00 0.00 60.65 59.25 1v9b s ILE 27 Cb 0.13 -1.30 -0.20 0.00 1.25 0.00 0.00 42.46 42.34 1v9b s ILE 27 CO 0.71 -0.78 0.96 0.00 0.24 0.00 0.00 174.94 176.07 1v9b n ALA 28 N 0.23 4.48 -3.58 2.27 0.00 -0.28 -4.59 120.51 119.05 1v9b n ALA 28 Ca -0.16 -0.56 -0.14 0.00 0.00 0.00 0.00 53.44 52.58 1v9b n ALA 28 Cb 0.61 -0.82 -0.06 0.00 0.00 0.00 0.00 19.45 19.17 1v9b n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v9b s ALA 30 N -3.03 -1.83 -0.17 0.00 0.00 -1.26 -5.03 121.76 110.44 1v9b s ALA 30 Ca 0.08 1.64 0.01 0.00 0.00 0.00 0.00 51.96 53.69 1v9b s ALA 30 Cb 0.16 -0.64 0.02 0.00 0.00 0.00 0.00 23.12 22.65 1v9b s ALA 30 CO 0.85 -0.33 -0.20 -0.80 0.00 0.00 0.00 175.76 175.27 1v9b s ASN 31 N -0.55 3.09 -0.11 0.00 0.02 -0.02 -4.96 114.94 112.41 1v9b s ASN 31 Ca -0.04 -0.63 0.01 0.00 -1.02 0.00 0.00 52.86 51.18 1v9b s ASN 31 Cb -0.02 -1.45 -0.01 0.00 0.02 0.00 0.00 41.25 39.78 1v9b s ASN 31 CO 0.04 0.01 -0.16 -0.76 0.02 0.00 0.00 177.10 176.25 1v9b s LEU 32 N 1.20 2.57 -0.09 0.60 1.02 -1.26 -0.84 118.68 121.87 1v9b s LEU 32 Ca 0.02 -0.36 -0.20 0.00 0.02 0.00 0.00 54.13 53.61 1v9b s LEU 32 Cb -0.14 -1.55 0.05 0.00 0.02 0.00 0.00 46.19 44.57 1v9b s LEU 32 CO -0.10 0.19 0.48 0.00 0.02 0.00 0.00 176.35 176.94 1v9b s ARG 33 N 0.17 0.75 0.73 1.70 3.03 -0.70 -4.99 118.95 119.64 1v9b s ARG 33 Ca -0.09 0.25 -0.11 0.00 2.03 0.00 0.00 55.73 57.81 1v9b s ARG 33 Cb -0.15 0.35 0.03 0.00 -1.03 0.00 0.00 34.95 34.15 1v9b s ARG 33 CO 0.05 -0.19 1.08 -1.21 -1.13 0.00 0.00 175.30 173.90 1v9b s GLU 34 N -0.73 2.65 0.31 3.89 2.02 -1.26 -0.14 118.70 125.43 1v9b s GLU 34 Ca -0.08 0.75 -0.19 0.00 0.02 0.00 0.00 54.97 55.47 1v9b s GLU 34 Cb -0.03 -1.97 0.04 0.00 0.10 0.00 0.00 34.13 32.26 1v9b s GLU 34 CO 0.05 -1.25 0.77 -3.38 0.02 0.00 0.00 175.26 171.46 1v9b s HIS 35 N -3.14 -0.07 -0.23 1.61 -3.43 -0.55 -4.79 115.29 104.70 1v9b s HIS 35 Ca 0.59 -0.46 -0.03 0.00 -0.80 0.00 0.00 55.06 54.36 1v9b s HIS 35 Cb -0.14 0.75 0.00 0.00 -1.43 0.00 0.00 32.58 31.77 1v9b s HIS 35 CO 0.54 -1.33 -0.06 1.03 -2.00 0.00 0.00 174.74 172.93 1v9b s ARG 36 N -3.26 3.19 0.06 -0.38 0.52 -1.26 -1.43 118.95 116.38 1v9b s ARG 36 Ca 0.13 -0.74 -0.12 0.00 -0.52 0.00 0.00 55.73 54.48 1v9b s ARG 36 Cb -0.05 -2.98 -0.06 0.00 0.52 0.00 0.00 34.95 32.38 1v9b s ARG 36 CO 0.08 -0.26 0.41 0.00 0.02 0.00 0.00 175.30 175.56 1v9b s ALA 37 N 1.42 3.70 -0.08 2.13 0.00 0.74 -4.89 121.76 124.79 1v9b s ALA 37 Ca 0.04 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.71 1v9b s ALA 37 Cb -0.15 -2.33 0.02 0.00 0.00 0.00 0.00 23.12 20.66 1v9b s ALA 37 CO -0.04 0.53 -0.10 -0.06 0.00 0.00 0.00 175.76 176.09 1v9b s PHE 38 N -1.31 1.40 0.15 0.00 0.40 -1.26 -0.71 117.98 116.66 1v9b s PHE 38 Ca 0.31 -0.57 -0.25 0.00 -0.60 0.00 0.00 56.93 55.82 1v9b s PHE 38 Cb -0.15 -1.08 0.06 0.00 0.51 0.00 0.00 43.02 42.36 1v9b s PHE 38 CO 0.17 -0.34 0.95 1.52 0.70 0.00 0.00 175.22 178.22 1v9b s TYR 39 N 0.99 -0.14 -0.01 0.36 1.13 -1.02 -5.01 117.35 113.66 1v9b s TYR 39 Ca -0.09 -0.16 -0.30 0.00 -1.41 0.00 0.00 57.07 55.12 1v9b s TYR 39 Cb -0.15 0.64 -0.03 0.00 -1.10 0.00 0.00 41.96 41.32 1v9b s TYR 39 CO -0.00 -0.82 1.00 -1.58 -2.51 0.00 0.00 175.55 171.64 1v9b s TRP 40 N -3.29 3.62 -0.18 -3.49 0.52 -1.26 -1.11 118.94 113.75 1v9b s TRP 40 Ca 0.12 1.65 -0.05 0.00 0.02 0.00 0.00 56.10 57.83 1v9b s TRP 40 Cb -0.01 -3.16 0.09 0.00 -1.15 0.00 0.00 33.47 29.24 1v9b s TRP 40 CO 0.02 -0.16 0.35 -0.46 0.02 0.00 0.00 176.95 176.72 1v9b s TRP 41 N 1.13 -0.65 -1.19 -1.98 -0.11 0.26 -4.92 118.94 111.49 1v9b s TRP 41 Ca 0.52 1.18 -0.04 0.00 1.22 0.00 0.00 56.10 58.98 1v9b s TRP 41 Cb -0.22 0.12 0.00 0.00 -1.50 0.00 0.00 33.47 31.87 1v9b s TRP 41 CO 0.27 -0.47 1.01 0.39 -4.62 0.00 0.00 176.95 173.53 1v9b n GLU 42 N 5.37 -6.76 -1.14 5.86 1.02 -1.26 -2.63 120.64 121.10 1v9b n GLU 42 Ca -0.07 0.78 -0.05 0.00 -0.02 0.00 0.00 57.16 57.81 1v9b n GLU 42 Cb 0.50 -5.65 -0.02 0.00 -0.02 0.00 0.00 31.44 26.24 1v9b n GLU 42 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1v9b n GLY 43 N -1.48 0.64 3.07 0.62 0.00 -1.26 -4.98 105.19 101.81 1v9b n GLY 43 Ca -0.15 -0.17 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 1v9b n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1v9b s LYS 44 N -1.92 0.53 -0.28 1.61 2.20 -1.08 -5.12 119.74 115.69 1v9b s LYS 44 Ca 0.00 -0.88 -0.28 0.00 -0.36 0.00 0.00 55.97 54.45 1v9b s LYS 44 Cb 0.00 0.20 0.01 0.00 -1.51 0.00 0.00 37.83 36.53 1v9b s LYS 44 CO 0.00 -0.11 1.00 0.42 -0.36 0.00 0.00 175.35 176.30 1v9b s ILE 45 N -2.80 4.63 0.10 5.43 1.01 -1.26 -0.57 121.20 127.74 1v9b s ILE 45 Ca -0.03 1.73 0.05 0.00 0.00 0.00 0.00 60.65 62.40 1v9b s ILE 45 Cb -0.00 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 1v9b s ILE 45 CO -0.06 -0.32 -0.01 -0.70 0.00 0.00 0.00 174.94 173.86 1v9b s GLU 46 N 3.34 2.51 -0.12 2.79 2.12 -0.27 -4.95 118.70 124.12 1v9b s GLU 46 Ca 0.42 -0.87 0.00 0.00 0.36 0.00 0.00 54.97 54.89 1v9b s GLU 46 Cb -0.14 -2.51 -0.02 0.00 0.26 0.00 0.00 34.13 31.72 1v9b s GLU 46 CO 0.11 0.53 -0.13 -2.00 -0.54 0.00 0.00 175.26 173.24 1v9b s GLU 47 N -2.35 3.23 -0.06 4.30 2.12 -1.26 -2.44 118.70 122.24 1v9b s GLU 47 Ca 0.26 -0.68 -0.03 0.00 0.36 0.00 0.00 54.97 54.88 1v9b s GLU 47 Cb -0.11 -2.60 0.04 0.00 0.26 0.00 0.00 34.13 31.71 1v9b s GLU 47 CO 0.18 0.30 0.14 0.34 -0.54 0.00 0.00 175.26 175.68 1v9b s ASP 48 N 0.13 -0.11 0.20 -1.70 2.15 0.12 -4.96 116.67 112.51 1v9b s ASP 48 Ca -0.06 0.29 -0.30 0.00 0.43 0.00 0.00 52.55 52.91 1v9b s ASP 48 Cb -0.15 0.19 -0.08 0.00 -0.30 0.00 0.00 42.92 42.58 1v9b s ASP 48 CO 0.05 -0.14 1.22 -0.75 -0.17 0.00 0.00 175.17 175.38 1v9b s LYS 49 N 1.06 4.47 0.22 4.34 2.36 -1.26 -0.18 119.74 130.74 1v9b s LYS 49 Ca -0.08 1.93 -0.02 0.00 -2.55 0.00 0.00 55.97 55.25 1v9b s LYS 49 Cb -0.10 -3.22 -0.03 0.00 -1.05 0.00 0.00 37.83 33.43 1v9b s LYS 49 CO -0.05 -0.10 0.19 -1.21 1.55 0.00 0.00 175.35 175.72 1v9b s GLU 50 N -0.41 1.29 -0.32 4.03 2.02 -0.52 -4.86 118.70 119.93 1v9b s GLU 50 Ca 0.53 -1.61 -0.02 0.00 0.02 0.00 0.00 54.97 53.89 1v9b s GLU 50 Cb -0.34 0.30 0.06 0.00 0.10 0.00 0.00 34.13 34.25 1v9b s GLU 50 CO 0.38 -0.44 0.03 0.08 0.02 0.00 0.00 175.26 175.33 1v9b s VAL 51 N -4.08 3.04 0.33 2.63 1.01 -0.45 -1.48 120.40 121.40 1v9b s VAL 51 Ca 0.37 -1.49 -0.23 0.00 0.00 0.00 0.00 61.98 60.63 1v9b s VAL 51 Cb 0.06 -2.81 -0.10 0.00 0.00 0.00 0.00 36.38 33.53 1v9b s VAL 51 CO 0.13 -0.20 0.88 -0.83 0.00 0.00 0.00 175.10 175.08 1v9b s GLY 52 N 1.33 2.62 -0.06 4.51 0.00 0.80 -1.22 107.32 115.30 1v9b s GLY 52 Ca -0.03 0.38 0.00 0.00 0.00 0.00 0.00 44.72 45.08 1v9b s GLY 52 CO -0.02 0.75 -0.05 0.00 0.00 0.00 0.00 173.10 173.78 1v9b s ALA 53 N -1.77 0.82 -0.32 3.20 0.00 -0.23 -1.72 121.76 121.75 1v9b s ALA 53 Ca 0.52 -0.17 -0.09 0.00 0.00 0.00 0.00 51.96 52.22 1v9b s ALA 53 Cb -0.15 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.40 1v9b s ALA 53 CO 0.20 -0.15 0.14 0.42 0.00 0.00 0.00 175.76 176.38 1v9b s ILE 54 N 1.22 4.47 -0.04 0.00 1.01 -0.02 -2.25 121.20 125.58 1v9b s ILE 54 Ca -0.06 -0.53 -0.01 0.00 0.00 0.00 0.00 60.65 60.05 1v9b s ILE 54 Cb -0.14 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 1v9b s ILE 54 CO -0.02 0.03 0.04 -0.76 0.00 0.00 0.00 174.94 174.23 1v9b s LEU 55 N 1.58 3.73 -0.14 2.97 1.43 0.10 -0.84 118.68 127.51 1v9b s LEU 55 Ca 0.04 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 1v9b s LEU 55 Cb -0.17 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 44.01 1v9b s LEU 55 CO 0.06 0.32 -0.22 -0.54 0.23 0.00 0.00 176.35 176.20 1v9b s LYS 56 N -1.36 3.03 0.09 1.70 1.02 -1.26 -0.47 119.74 122.48 1v9b s LYS 56 Ca 0.18 -0.85 -0.03 0.00 0.02 0.00 0.00 55.97 55.29 1v9b s LYS 56 Cb -0.12 -2.44 0.01 0.00 -0.52 0.00 0.00 37.83 34.76 1v9b s LYS 56 CO 0.08 -0.02 0.17 -2.37 -0.92 0.00 0.00 175.35 172.30 1v9b n THR 57 N 4.08 0.00 -3.13 2.17 5.66 -0.90 -1.12 114.28 121.03 1v9b n THR 57 Ca -0.20 -0.27 -0.30 0.00 -3.05 0.00 0.00 64.05 60.23 1v9b n THR 57 Cb 0.51 0.24 -0.04 0.00 -1.55 0.00 0.00 70.33 69.50 1v9b n THR 57 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1v9b s ARG 58 N -2.06 3.74 0.24 1.09 0.52 -1.26 -0.78 118.95 120.44 1v9b s ARG 58 Ca 0.04 0.27 -0.06 0.00 -0.52 0.00 0.00 55.73 55.47 1v9b s ARG 58 Cb -0.01 -2.53 0.25 0.00 0.52 0.00 0.00 34.95 33.18 1v9b s ARG 58 CO 0.03 0.12 1.84 0.93 0.02 0.00 0.00 175.30 178.24 1v9b h GLU 59 N 1.64 1.15 0.00 3.54 3.07 -1.93 -2.65 114.58 119.40 1v9b h GLU 59 Ca -0.47 -0.17 0.00 0.00 -0.50 0.00 0.00 59.36 58.22 1v9b h GLU 59 Cb 1.19 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.89 1v9b h GLU 59 CO 0.65 0.89 0.00 0.38 -1.40 0.00 0.00 179.01 179.53 1v9b h ASP 60 N 1.14 0.00 -0.05 1.42 2.03 -2.01 -2.26 116.42 116.69 1v9b h ASP 60 Ca 0.27 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.57 1v9b h ASP 60 Cb 0.12 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.62 1v9b h ASP 60 CO -0.03 0.00 0.00 0.18 -1.03 0.00 0.00 179.24 178.36 1v9b n LEU 61 N -2.79 1.87 0.15 0.15 4.77 -1.00 -4.55 117.00 115.61 1v9b n LEU 61 Ca 0.00 -0.65 -0.16 0.00 -0.03 0.00 0.00 56.01 55.17 1v9b n LEU 61 Cb 0.21 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.19 1v9b n LEU 61 CO 0.22 0.33 0.54 -0.25 -1.33 0.00 0.00 177.39 176.89 1v9b h TRP 62 N 2.85 -1.42 -0.42 -1.77 -0.00 -1.46 0.16 115.95 113.89 1v9b h TRP 62 Ca 0.00 0.03 0.06 0.00 -0.00 0.00 0.00 58.89 58.98 1v9b h TRP 62 Cb 0.61 0.59 -0.05 0.00 -0.00 0.00 0.00 29.16 30.31 1v9b h TRP 62 CO 0.02 -0.60 0.12 0.93 -0.00 0.00 0.00 178.44 178.91 1v9b h GLU 63 N -0.79 0.26 -0.50 2.65 4.39 -1.83 0.20 114.58 118.97 1v9b h GLU 63 Ca -0.01 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 1v9b h GLU 63 Cb 0.77 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.34 1v9b h GLU 63 CO -0.23 0.17 0.18 1.49 -1.16 0.00 0.00 179.01 179.46 1v9b h GLU 64 N 0.27 0.77 -0.38 2.33 4.81 -1.82 -1.68 114.58 118.88 1v9b h GLU 64 Ca 0.20 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1v9b h GLU 64 Cb 0.22 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1v9b h GLU 64 CO -0.23 0.70 0.17 1.25 -0.73 0.00 0.00 179.01 180.17 1v9b h LEU 65 N 0.68 0.51 -0.23 1.64 5.85 -0.55 -1.13 115.31 122.08 1v9b h LEU 65 Ca 0.17 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1v9b h LEU 65 Cb 0.23 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1v9b h LEU 65 CO -0.01 0.51 0.06 0.50 -0.34 0.00 0.00 178.44 179.15 1v9b h LYS 66 N 0.47 0.15 -0.76 1.25 3.64 -0.42 -0.18 116.57 120.72 1v9b h LYS 66 Ca 0.13 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1v9b h LYS 66 Cb 0.14 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1v9b h LYS 66 CO -0.01 0.10 0.29 0.93 -2.27 0.00 0.00 179.45 178.49 1v9b h GLU 67 N 0.15 1.14 -0.71 1.90 4.39 -1.18 -2.14 114.58 118.14 1v9b h GLU 67 Ca 0.10 -0.21 -0.06 0.00 0.34 0.00 0.00 59.36 59.53 1v9b h GLU 67 Cb 0.09 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 1v9b h GLU 67 CO -0.12 0.94 0.22 -0.09 -1.16 0.00 0.00 179.01 178.79 1v9b h ARG 68 N 1.10 1.11 -0.65 2.33 9.65 -0.84 -2.25 114.38 124.82 1v9b h ARG 68 Ca 0.25 -0.24 -0.05 0.00 -1.10 0.00 0.00 59.98 58.84 1v9b h ARG 68 Cb 0.23 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.62 1v9b h ARG 68 CO -0.02 0.95 0.21 0.82 2.80 0.00 0.00 179.97 184.73 1v9b h ILE 69 N 1.05 1.24 -0.54 1.20 2.04 -0.77 -2.01 117.51 119.72 1v9b h ILE 69 Ca 0.23 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 1v9b h ILE 69 Cb 0.31 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1v9b h ILE 69 CO -0.01 0.32 0.31 0.11 0.00 0.00 0.00 178.15 178.89 1v9b h LYS 70 N 0.96 0.74 -0.03 2.37 1.57 -0.97 0.35 116.57 121.57 1v9b h LYS 70 Ca 0.21 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 1v9b h LYS 70 Cb 0.27 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1v9b h LYS 70 CO -0.01 0.55 -0.26 0.93 -0.57 0.00 0.00 179.45 180.10 1v9b h GLU 71 N 0.72 0.05 0.00 3.15 5.08 -1.04 -3.28 114.58 119.26 1v9b h GLU 71 Ca 0.19 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.35 1v9b h GLU 71 Cb 0.02 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1v9b h GLU 71 CO -0.03 0.30 -2.18 1.28 -1.00 0.00 0.00 179.01 177.39 1v9b n LEU 72 N -4.22 0.03 -4.74 1.33 4.77 -0.79 -5.01 117.00 108.37 1v9b n LEU 72 Ca -0.02 0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1v9b n LEU 72 Cb 0.32 0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.65 1v9b n LEU 72 CO 0.38 0.26 1.28 -2.28 -1.33 0.00 0.00 177.39 175.69 1v9b s HIS 73 N -2.98 2.79 0.27 -1.77 2.46 0.12 -4.93 115.29 111.24 1v9b s HIS 73 Ca -0.09 0.67 0.17 0.00 0.47 0.00 0.00 55.06 56.28 1v9b s HIS 73 Cb 0.10 -4.09 0.75 0.00 -0.13 0.00 0.00 32.58 29.20 1v9b s HIS 73 CO 0.87 -3.78 1.79 -1.00 -2.47 0.00 0.00 174.74 170.14 1v9b h PRO 74 N 5.33 0.00 -7.03 2.88 0.13 -1.92 -3.44 132.00 127.95 1v9b h PRO 74 Ca -0.46 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.21 1v9b h PRO 74 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1v9b h PRO 74 CO 0.83 0.38 0.36 0.71 -0.23 0.00 0.00 178.00 180.05 1v9b s TYR 75 N -3.84 3.26 0.16 1.56 2.02 -1.26 -4.97 117.35 114.27 1v9b s TYR 75 Ca -0.01 1.63 -0.00 0.00 -0.37 0.00 0.00 57.07 58.31 1v9b s TYR 75 Cb 0.12 -2.96 -0.02 0.00 -0.40 0.00 0.00 41.96 38.70 1v9b s TYR 75 CO 0.69 -0.36 1.36 -0.44 -1.57 0.00 0.00 175.55 175.24 1v9b h ASP 76 N 2.04 0.36 -2.26 2.29 3.32 -2.00 -3.36 116.42 116.81 1v9b h ASP 76 Ca -0.49 -0.29 -0.58 0.00 0.02 0.00 0.00 57.03 55.69 1v9b h ASP 76 Cb 1.20 -0.11 -0.40 0.00 0.22 0.00 0.00 39.33 40.24 1v9b h ASP 76 CO 0.61 1.08 -0.88 0.52 -1.72 0.00 0.00 179.24 178.85 1v9b n VAL 77 N -3.71 0.30 -1.81 -1.35 0.31 -1.26 -5.12 118.33 105.70 1v9b n VAL 77 Ca -0.05 -4.32 -0.32 0.00 -0.01 0.00 0.00 64.34 59.64 1v9b n VAL 77 Cb 0.80 -1.96 0.03 0.00 -0.91 0.00 0.00 33.84 31.80 1v9b n VAL 77 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1v9b s PRO 78 N -1.31 3.13 -0.22 5.55 0.04 -1.26 -5.02 135.00 135.91 1v9b s PRO 78 Ca 0.35 1.08 -0.16 0.00 0.04 0.00 0.00 61.00 62.30 1v9b s PRO 78 Cb 0.11 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 1v9b s PRO 78 CO -0.11 -0.95 0.43 0.00 0.04 0.00 0.00 177.00 176.41 1v9b s ALA 79 N -2.75 3.56 -0.48 8.56 0.00 -1.26 -5.00 121.76 124.39 1v9b s ALA 79 Ca 0.61 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 52.04 1v9b s ALA 79 Cb -0.15 -2.71 0.13 0.00 0.00 0.00 0.00 23.12 20.39 1v9b s ALA 79 CO 0.46 -0.43 0.25 0.42 0.00 0.00 0.00 175.76 176.45 1v9b s ILE 80 N 1.61 1.93 -0.23 0.00 1.01 -1.26 -3.96 121.20 120.30 1v9b s ILE 80 Ca 0.20 -2.90 -0.10 0.00 0.00 0.00 0.00 60.65 57.84 1v9b s ILE 80 Cb -0.15 -2.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.93 1v9b s ILE 80 CO 0.09 -0.85 0.14 -0.63 0.00 0.00 0.00 174.94 173.69 1v9b s ILE 81 N 0.06 5.27 -0.20 2.92 1.01 -0.26 -4.94 121.20 125.06 1v9b s ILE 81 Ca 0.17 0.15 -0.08 0.00 0.00 0.00 0.00 60.65 60.89 1v9b s ILE 81 Cb -0.25 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 1v9b s ILE 81 CO -0.00 0.36 0.08 -0.60 0.00 0.00 0.00 174.94 174.78 1v9b s ARG 82 N 0.96 3.95 -0.15 2.79 3.52 -1.26 -0.22 118.95 128.54 1v9b s ARG 82 Ca 0.07 -0.35 -0.01 0.00 -0.13 0.00 0.00 55.73 55.32 1v9b s ARG 82 Cb -0.13 -3.27 0.04 0.00 -1.56 0.00 0.00 34.95 30.02 1v9b s ARG 82 CO 0.03 0.19 -0.05 0.42 -0.81 0.00 0.00 175.30 175.08 1v9b s ILE 83 N 0.60 1.03 0.25 4.11 1.01 0.02 -5.00 121.20 123.22 1v9b s ILE 83 Ca 0.04 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 59.91 1v9b s ILE 83 Cb -0.13 -1.17 -0.09 0.00 0.01 0.00 0.00 42.46 41.08 1v9b s ILE 83 CO 0.01 0.20 1.27 -1.81 0.00 0.00 0.00 174.94 174.60 1v9b s ASP 84 N 1.68 6.94 -0.23 3.58 1.11 -1.26 -0.77 116.67 127.72 1v9b s ASP 84 Ca 0.02 2.44 -0.24 0.00 0.18 0.00 0.00 52.55 54.95 1v9b s ASP 84 Cb -0.14 -2.62 -0.01 0.00 1.07 0.00 0.00 42.92 41.22 1v9b s ASP 84 CO -0.08 -0.45 0.80 -0.69 1.18 0.00 0.00 175.17 175.93 1v9b s VAL 85 N -0.43 4.86 0.17 -1.27 1.01 -0.62 -4.90 120.40 119.23 1v9b s VAL 85 Ca 0.52 1.52 -0.07 0.00 0.00 0.00 0.00 61.98 63.96 1v9b s VAL 85 Cb -0.36 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 1v9b s VAL 85 CO 0.42 -0.04 1.50 0.44 0.00 0.00 0.00 175.10 177.42 1v9b h ASP 86 N 7.64 0.80 -4.97 3.32 3.32 -1.94 -3.41 116.42 121.19 1v9b h ASP 86 Ca -0.25 -0.39 0.02 0.00 0.02 0.00 0.00 57.03 56.44 1v9b h ASP 86 Cb 1.10 -0.23 -0.11 0.00 0.22 0.00 0.00 39.33 40.32 1v9b h ASP 86 CO 0.86 1.14 0.27 -0.62 -1.72 0.00 0.00 179.24 179.16 1v9b s ASP 87 N -6.88 -0.47 -0.03 6.45 3.68 -1.26 -5.08 116.67 113.07 1v9b s ASP 87 Ca -0.09 -0.13 -0.29 0.00 2.13 0.00 0.00 52.55 54.17 1v9b s ASP 87 Cb 0.11 0.59 0.10 0.00 -1.45 0.00 0.00 42.92 42.27 1v9b s ASP 87 CO 0.86 -0.99 0.87 0.54 0.13 0.00 0.00 175.17 176.58 1v9b s VAL 88 N -3.67 0.00 0.20 1.11 0.11 -1.26 -5.11 120.40 111.78 1v9b s VAL 88 Ca 0.04 0.00 -0.32 0.00 -2.93 0.00 0.00 61.98 58.77 1v9b s VAL 88 Cb -0.02 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.72 1v9b s VAL 88 CO -0.08 0.00 1.68 0.54 -3.33 0.00 0.00 175.10 173.91 1v9b s ASN 89 N -2.05 6.43 0.11 3.54 4.22 -1.26 -4.86 114.94 121.07 1v9b s ASN 89 Ca 0.01 2.81 0.18 0.00 -2.14 0.00 0.00 52.86 53.73 1v9b s ASN 89 Cb -0.01 -2.60 0.77 0.00 1.28 0.00 0.00 41.25 40.70 1v9b s ASN 89 CO -0.05 -0.93 1.57 -0.62 -2.04 0.00 0.00 177.10 175.03 1v9b n GLU 90 N 3.86 0.09 0.07 3.55 1.02 -1.26 -2.19 120.64 125.78 1v9b n GLU 90 Ca 0.15 0.33 -0.09 0.00 -0.02 0.00 0.00 57.16 57.52 1v9b n GLU 90 Cb 0.36 -1.66 -0.13 0.00 -0.02 0.00 0.00 31.44 29.99 1v9b n GLU 90 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1v9b h ASP 91 N 0.00 0.11 -0.15 1.62 2.03 -2.00 -2.39 116.42 115.64 1v9b h ASP 91 Ca 0.00 -0.12 -0.17 0.00 -0.73 0.00 0.00 57.03 56.01 1v9b h ASP 91 Cb 0.30 -0.04 0.01 0.00 -0.83 0.00 0.00 39.33 38.77 1v9b h ASP 91 CO 0.00 1.10 -0.57 0.22 -1.03 0.00 0.00 179.24 178.95 1v9b h TYR 92 N 0.02 0.87 -0.43 4.15 5.03 -1.82 -2.68 116.97 122.11 1v9b h TYR 92 Ca -0.05 -0.36 -0.04 0.00 2.58 0.00 0.00 58.73 60.85 1v9b h TYR 92 Cb 1.83 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 39.94 1v9b h TYR 92 CO 0.02 1.16 0.09 1.25 -1.32 0.00 0.00 178.16 179.36 1v9b h LEU 93 N 0.34 0.61 -0.17 2.82 5.85 -1.50 0.43 115.31 123.68 1v9b h LEU 93 Ca -0.03 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1v9b h LEU 93 Cb 1.20 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1v9b h LEU 93 CO 0.12 0.62 0.07 0.50 -0.34 0.00 0.00 178.44 179.41 1v9b h LYS 94 N 0.64 0.25 -0.25 1.25 1.63 -1.41 -0.41 116.57 118.27 1v9b h LYS 94 Ca 0.14 -0.04 0.03 0.00 -0.85 0.00 0.00 60.65 59.93 1v9b h LYS 94 Cb 0.27 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.82 1v9b h LYS 94 CO -0.00 0.32 0.05 2.35 -3.45 0.00 0.00 179.45 178.72 1v9b h TRP 95 N 0.13 0.09 -0.39 1.91 7.01 -1.06 -1.10 115.95 122.54 1v9b h TRP 95 Ca 0.06 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.09 1v9b h TRP 95 Cb 0.16 -0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.19 1v9b h TRP 95 CO -0.02 0.03 0.22 1.25 -2.79 0.00 0.00 178.44 177.12 1v9b h LEU 96 N 0.15 0.34 -0.64 0.65 6.46 -0.65 -1.39 115.31 120.23 1v9b h LEU 96 Ca 0.11 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.86 1v9b h LEU 96 Cb 0.11 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 1v9b h LEU 96 CO -0.15 0.25 0.31 0.40 -0.62 0.00 0.00 178.44 178.62 1v9b h ILE 97 N 0.44 1.22 -0.02 4.05 2.04 -0.84 -2.80 117.51 121.59 1v9b h ILE 97 Ca 0.16 -0.62 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 1v9b h ILE 97 Cb 0.03 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1v9b h ILE 97 CO -0.09 0.25 -0.26 -0.33 0.00 0.00 0.00 178.15 177.73 1v9b h GLU 98 N 0.88 0.04 -0.01 2.37 4.39 -0.82 -2.81 114.58 118.62 1v9b h GLU 98 Ca 0.22 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1v9b h GLU 98 Cb 0.12 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1v9b h GLU 98 CO -0.03 0.30 -0.15 0.39 -1.16 0.00 0.00 179.01 178.37 1v9b n GLU 99 N -4.21 0.78 -4.04 2.33 -0.58 -0.56 -4.89 120.64 109.47 1v9b n GLU 99 Ca -0.02 -0.35 -0.30 0.00 -0.42 0.00 0.00 57.16 56.07 1v9b n GLU 99 Cb 0.32 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.64 1v9b n GLU 99 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1v9b s THR 100 N -2.46 4.59 0.60 2.62 -4.23 -1.06 -4.79 115.64 110.91 1v9b s THR 100 Ca 0.28 -0.75 -0.18 0.00 -1.18 0.00 0.00 61.69 59.86 1v9b s THR 100 Cb 0.20 -3.22 -0.06 0.00 1.34 0.00 0.00 72.50 70.76 1v9b s THR 100 CO 0.48 0.12 0.77 2.29 -0.54 0.00 0.00 174.62 177.74 1v9b n LYS 101 N 0.42 0.69 0.00 3.99 2.85 -0.49 -4.99 118.16 120.62 1v9b n LYS 101 Ca -0.08 0.27 0.00 0.00 -1.05 0.00 0.00 58.31 57.45 1v9b n LYS 101 Cb 0.52 -1.97 0.00 0.00 -0.65 0.00 0.00 35.03 32.92 1v9b n LYS 101 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71