#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ov8 s ASN 3 N 0.00 5.60 0.09 0.00 2.47 -1.26 -4.85 114.94 116.99 1ov8 s ASN 3 Ca 0.00 -0.60 -0.08 0.00 0.42 0.00 0.00 52.86 52.60 1ov8 s ASN 3 Cb 0.00 -2.56 -0.00 0.00 -1.45 0.00 0.00 41.25 37.24 1ov8 s ASN 3 CO 0.00 -2.28 0.19 0.00 -3.72 0.00 0.00 177.10 171.29 1ov8 s ALA 4 N 8.20 -0.18 0.97 1.71 0.00 -1.26 -4.79 121.76 126.41 1ov8 s ALA 4 Ca 0.60 -0.66 -0.12 0.00 0.00 0.00 0.00 51.96 51.78 1ov8 s ALA 4 Cb -0.07 0.50 0.17 0.00 0.00 0.00 0.00 23.12 23.73 1ov8 s ALA 4 CO 0.04 -0.51 1.08 -1.25 0.00 0.00 0.00 175.76 175.12 1ov8 s PRO 5 N -3.87 0.65 0.00 0.00 0.04 -1.26 -4.26 135.00 126.29 1ov8 s PRO 5 Ca 0.06 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.91 1ov8 s PRO 5 Cb 0.05 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.85 1ov8 s PRO 5 CO -0.10 -2.66 0.00 0.41 0.04 0.00 0.00 177.00 174.69 1ov8 n GLY 6 N -0.67 0.56 0.00 0.56 0.00 -0.47 -4.91 105.19 100.25 1ov8 n GLY 6 Ca 0.06 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1ov8 n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ov8 n GLY 7 N 0.00 4.08 0.23 -0.02 0.00 -1.26 -0.33 105.19 107.89 1ov8 n GLY 7 Ca 0.00 -1.59 0.04 0.00 0.00 0.00 0.00 46.02 44.46 1ov8 n GLY 7 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ov8 h SER 8 N 0.00 0.10 -0.48 1.61 4.64 -0.78 -3.12 113.55 115.52 1ov8 h SER 8 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1ov8 h SER 8 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1ov8 h SER 8 CO 0.00 0.28 0.00 0.59 -0.87 0.00 0.00 176.83 176.83 1ov8 n ASN 9 N -4.29 3.56 -4.76 4.97 4.13 -0.16 -4.98 115.26 113.72 1ov8 n ASN 9 Ca -0.02 -1.99 -0.41 0.00 1.68 0.00 0.00 54.58 53.84 1ov8 n ASN 9 Cb 0.26 -0.31 -0.01 0.00 -1.54 0.00 0.00 39.78 38.18 1ov8 n ASN 9 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1ov8 s VAL 10 N -1.37 2.38 0.04 2.41 1.01 -1.18 -0.33 120.40 123.35 1ov8 s VAL 10 Ca 0.42 0.35 -0.03 0.00 0.00 0.00 0.00 61.98 62.71 1ov8 s VAL 10 Cb 0.23 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 1ov8 s VAL 10 CO 0.32 0.07 0.04 0.68 0.00 0.00 0.00 175.10 176.22 1ov8 s VAL 11 N -0.65 0.15 -1.08 2.92 -7.23 -0.79 -4.84 120.40 108.89 1ov8 s VAL 11 Ca 0.55 -1.27 -0.07 0.00 -1.81 0.00 0.00 61.98 59.39 1ov8 s VAL 11 Cb -0.44 -0.99 0.28 0.00 0.56 0.00 0.00 36.38 35.79 1ov8 s VAL 11 CO 0.53 -0.70 1.17 0.59 -0.31 0.00 0.00 175.10 176.38 1ov8 n ASN 12 N 0.68 5.57 -4.13 4.85 3.02 -1.26 -4.55 115.26 119.44 1ov8 n ASN 12 Ca -0.18 -3.15 -0.09 0.00 -0.03 0.00 0.00 54.58 51.13 1ov8 n ASN 12 Cb 0.59 -1.30 -0.10 0.00 -0.61 0.00 0.00 39.78 38.36 1ov8 n ASN 12 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ov8 s GLU 13 N -1.70 0.73 0.18 3.52 2.02 -1.26 -5.12 118.70 117.07 1ov8 s GLU 13 Ca 0.31 -1.29 -0.30 0.00 0.02 0.00 0.00 54.97 53.71 1ov8 s GLU 13 Cb -0.06 0.04 -0.08 0.00 0.10 0.00 0.00 34.13 34.13 1ov8 s GLU 13 CO -0.04 -0.09 1.28 0.99 0.02 0.00 0.00 175.26 177.42 1ov8 s THR 14 N -3.81 3.36 0.31 3.63 2.01 -1.26 -4.97 115.64 114.91 1ov8 s THR 14 Ca 0.11 1.10 -0.29 0.00 0.31 0.00 0.00 61.69 62.92 1ov8 s THR 14 Cb 0.07 -3.71 -0.10 0.00 0.01 0.00 0.00 72.50 68.78 1ov8 s THR 14 CO -0.07 0.16 1.19 -2.84 -0.69 0.00 0.00 174.62 172.37 1ov8 s PRO 15 N -0.01 4.47 0.20 4.92 0.02 -1.26 -4.86 135.00 138.47 1ov8 s PRO 15 Ca 0.56 1.97 0.14 0.00 0.02 0.00 0.00 61.00 63.69 1ov8 s PRO 15 Cb -0.35 -3.09 -0.03 0.00 0.02 0.00 0.00 34.50 31.05 1ov8 s PRO 15 CO 0.37 -0.00 1.29 0.00 -0.33 0.00 0.00 177.00 178.32 1ov8 h ALA 16 N 3.51 0.61 -2.63 -1.55 0.00 -1.21 -3.47 119.26 114.52 1ov8 h ALA 16 Ca -0.48 -0.64 -0.13 0.00 0.00 0.00 0.00 54.91 53.67 1ov8 h ALA 16 Cb 1.22 -0.02 -0.19 0.00 0.00 0.00 0.00 17.79 18.80 1ov8 h ALA 16 CO 0.66 0.82 -0.41 -0.65 0.00 0.00 0.00 179.25 179.67 1ov8 s GLN 17 N -2.90 0.60 0.12 0.00 -0.21 -1.17 -5.06 119.66 111.04 1ov8 s GLN 17 Ca 0.02 -0.44 0.08 0.00 0.02 0.00 0.00 55.36 55.04 1ov8 s GLN 17 Cb 0.08 0.25 -0.04 0.00 1.00 0.00 0.00 33.01 34.31 1ov8 s GLN 17 CO 0.77 -0.16 -0.19 0.95 -2.12 0.00 0.00 175.29 174.54 1ov8 s THR 18 N -1.80 1.68 -0.06 -0.19 -4.23 -1.26 -1.65 115.64 108.13 1ov8 s THR 18 Ca -0.11 -1.65 -0.05 0.00 -1.18 0.00 0.00 61.69 58.70 1ov8 s THR 18 Cb -0.05 -1.61 0.02 0.00 1.34 0.00 0.00 72.50 72.20 1ov8 s THR 18 CO 0.00 -0.17 0.15 0.54 -0.54 0.00 0.00 174.62 174.61 1ov8 s VAL 19 N -1.50 -0.01 -0.11 2.29 0.11 -0.62 -4.94 120.40 115.62 1ov8 s VAL 19 Ca 0.09 0.02 -0.04 0.00 -2.93 0.00 0.00 61.98 59.12 1ov8 s VAL 19 Cb -0.08 -0.23 -0.04 0.00 -1.53 0.00 0.00 36.38 34.50 1ov8 s VAL 19 CO 0.05 0.01 0.04 -0.70 -3.33 0.00 0.00 175.10 171.17 1ov8 s GLU 20 N 0.24 3.29 -0.01 1.54 2.12 -1.26 -1.22 118.70 123.39 1ov8 s GLU 20 Ca -0.01 -0.34 0.06 0.00 0.36 0.00 0.00 54.97 55.04 1ov8 s GLU 20 Cb -0.02 -2.96 -0.02 0.00 0.26 0.00 0.00 34.13 31.39 1ov8 s GLU 20 CO -0.01 0.63 -0.18 0.08 -0.54 0.00 0.00 175.26 175.24 1ov8 s VAL 21 N -0.65 1.41 0.15 3.70 1.01 0.02 -4.96 120.40 121.08 1ov8 s VAL 21 Ca 0.11 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.36 1ov8 s VAL 21 Cb -0.12 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1ov8 s VAL 21 CO 0.02 0.36 -0.18 -0.13 0.00 0.00 0.00 175.10 175.18 1ov8 s ARG 22 N -0.52 1.21 0.50 2.72 0.52 -1.26 -0.97 118.95 121.15 1ov8 s ARG 22 Ca 0.07 -1.34 -0.18 0.00 -0.52 0.00 0.00 55.73 53.76 1ov8 s ARG 22 Cb -0.07 -1.26 -0.08 0.00 0.52 0.00 0.00 34.95 34.05 1ov8 s ARG 22 CO -0.00 0.26 0.99 0.00 0.02 0.00 0.00 175.30 176.56 1ov8 s ALA 23 N -1.93 3.02 0.37 2.13 0.00 -1.10 -0.26 121.76 123.99 1ov8 s ALA 23 Ca 0.13 0.27 -0.27 0.00 0.00 0.00 0.00 51.96 52.08 1ov8 s ALA 23 Cb -0.06 -3.14 -0.10 0.00 0.00 0.00 0.00 23.12 19.82 1ov8 s ALA 23 CO 0.06 -0.22 1.34 0.00 0.00 0.00 0.00 175.76 176.94 1ov8 s ALA 24 N -2.49 3.41 0.20 0.00 0.00 0.12 -4.36 121.76 118.65 1ov8 s ALA 24 Ca 0.60 1.31 0.15 0.00 0.00 0.00 0.00 51.96 54.02 1ov8 s ALA 24 Cb -0.11 -3.51 0.50 0.00 0.00 0.00 0.00 23.12 20.01 1ov8 s ALA 24 CO 0.28 -0.80 1.66 -1.00 0.00 0.00 0.00 175.76 175.89 1ov8 h PRO 25 N 3.00 0.00 0.00 0.00 0.13 -1.90 -3.34 132.00 129.90 1ov8 h PRO 25 Ca -0.50 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1ov8 h PRO 25 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1ov8 h PRO 25 CO 0.64 0.50 -0.21 -0.25 -0.23 0.00 0.00 178.00 178.45 1ov8 n ASP 26 N -3.64 1.41 -4.05 1.44 8.00 -1.26 0.75 116.55 119.20 1ov8 n ASP 26 Ca -0.01 -2.66 -0.10 0.00 0.71 0.00 0.00 54.79 52.74 1ov8 n ASP 26 Cb 0.57 -0.34 -0.08 0.00 -0.02 0.00 0.00 41.12 41.26 1ov8 n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ov8 s ALA 27 N -1.73 0.32 -1.20 2.24 0.00 -1.25 -5.03 121.76 115.10 1ov8 s ALA 27 Ca 0.19 -1.14 -0.07 0.00 0.00 0.00 0.00 51.96 50.95 1ov8 s ALA 27 Cb 0.17 1.02 0.22 0.00 0.00 0.00 0.00 23.12 24.53 1ov8 s ALA 27 CO 0.02 -0.66 1.80 1.28 0.00 0.00 0.00 175.76 178.20 1ov8 n LEU 28 N -0.25 6.79 -3.91 0.00 4.77 -1.26 -4.44 117.00 118.70 1ov8 n LEU 28 Ca -0.04 -4.91 -0.09 0.00 -0.03 0.00 0.00 56.01 50.94 1ov8 n LEU 28 Cb 0.63 -1.38 -0.05 0.00 -2.33 0.00 0.00 43.42 40.29 1ov8 n LEU 28 CO 0.27 1.60 0.15 0.00 -1.33 0.00 0.00 177.39 178.08 1ov8 s ALA 29 N -1.14 -0.39 0.12 -1.18 0.00 -1.26 -3.58 121.76 114.33 1ov8 s ALA 29 Ca 0.38 -0.67 -0.18 0.00 0.00 0.00 0.00 51.96 51.49 1ov8 s ALA 29 Cb 0.10 0.94 -0.07 0.00 0.00 0.00 0.00 23.12 24.08 1ov8 s ALA 29 CO 0.02 -0.78 0.59 -0.06 0.00 0.00 0.00 175.76 175.53 1ov8 s PHE 30 N -3.96 3.71 0.39 0.00 0.08 -1.26 0.15 117.98 117.10 1ov8 s PHE 30 Ca 0.17 1.21 0.08 0.00 0.12 0.00 0.00 56.93 58.51 1ov8 s PHE 30 Cb 0.00 -2.47 0.80 0.00 -0.57 0.00 0.00 43.02 40.79 1ov8 s PHE 30 CO 0.03 0.49 1.97 0.00 -0.10 0.00 0.00 175.22 177.61 1ov8 h ALA 31 N 4.01 1.58 -2.83 5.36 0.00 -0.83 -3.39 119.26 123.15 1ov8 h ALA 31 Ca -0.49 -0.13 -0.69 0.00 0.00 0.00 0.00 54.91 53.60 1ov8 h ALA 31 Cb 1.20 -0.12 -0.23 0.00 0.00 0.00 0.00 17.79 18.64 1ov8 h ALA 31 CO 0.65 0.32 -0.53 -0.65 0.00 0.00 0.00 179.25 179.03 1ov8 s GLN 32 N -5.05 3.11 0.00 0.00 1.11 -1.26 -4.96 119.66 112.61 1ov8 s GLN 32 Ca -0.07 -0.88 0.25 0.00 0.01 0.00 0.00 55.36 54.67 1ov8 s GLN 32 Cb 0.16 -3.65 0.53 0.00 -1.01 0.00 0.00 33.01 29.04 1ov8 s GLN 32 CO 0.73 -0.55 1.45 0.25 0.01 0.00 0.00 175.29 177.19 1ov8 n THR 33 N 4.99 0.08 -3.80 -0.19 -2.24 -1.26 -4.82 114.28 107.04 1ov8 n THR 33 Ca -0.13 -0.44 -0.12 0.00 -2.27 0.00 0.00 64.05 61.09 1ov8 n THR 33 Cb 0.48 1.03 -0.11 0.00 -2.10 0.00 0.00 70.33 69.63 1ov8 n THR 33 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ov8 s SER 34 N -1.90 -0.19 0.13 3.42 1.04 -1.26 -0.73 113.70 114.22 1ov8 s SER 34 Ca 0.33 0.29 0.04 0.00 0.48 0.00 0.00 55.95 57.09 1ov8 s SER 34 Cb 0.20 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 1ov8 s SER 34 CO 0.31 -0.19 -0.10 -0.76 0.98 0.00 0.00 173.24 173.48 1ov8 s LEU 35 N -0.37 2.50 -0.03 2.42 1.43 -0.26 -4.93 118.68 119.43 1ov8 s LEU 35 Ca -0.05 -0.96 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 1ov8 s LEU 35 Cb -0.03 -0.35 0.03 0.00 0.03 0.00 0.00 46.19 45.87 1ov8 s LEU 35 CO 0.01 -0.31 0.00 -0.55 0.23 0.00 0.00 176.35 175.74 1ov8 s SER 36 N -2.97 0.45 0.02 2.29 0.15 -1.26 -1.13 113.70 111.24 1ov8 s SER 36 Ca 0.14 -0.02 -0.05 0.00 0.70 0.00 0.00 55.95 56.72 1ov8 s SER 36 Cb 0.01 -0.22 -0.01 0.00 -1.71 0.00 0.00 66.02 64.09 1ov8 s SER 36 CO 0.00 -0.11 0.08 -0.76 1.20 0.00 0.00 173.24 173.66 1ov8 s LEU 37 N 1.06 1.82 0.46 3.45 1.43 -0.77 -4.98 118.68 121.15 1ov8 s LEU 37 Ca -0.09 -0.39 -0.22 0.00 -1.03 0.00 0.00 54.13 52.40 1ov8 s LEU 37 Cb -0.13 0.49 -0.08 0.00 0.03 0.00 0.00 46.19 46.50 1ov8 s LEU 37 CO -0.02 -0.39 1.11 -2.16 0.23 0.00 0.00 176.35 175.12 1ov8 s PRO 38 N -1.77 3.82 0.76 1.29 0.04 -1.26 -1.31 135.00 136.57 1ov8 s PRO 38 Ca -0.12 1.62 -0.13 0.00 0.04 0.00 0.00 61.00 62.41 1ov8 s PRO 38 Cb -0.06 -2.34 0.05 0.00 0.04 0.00 0.00 34.50 32.19 1ov8 s PRO 38 CO -0.01 -0.46 1.14 0.00 0.04 0.00 0.00 177.00 177.71 1ov8 s ALA 39 N -1.67 2.11 -1.59 8.56 0.00 0.63 -3.96 121.76 125.83 1ov8 s ALA 39 Ca 0.64 0.60 -0.06 0.00 0.00 0.00 0.00 51.96 53.13 1ov8 s ALA 39 Cb -0.24 -3.38 0.06 0.00 0.00 0.00 0.00 23.12 19.55 1ov8 s ALA 39 CO 0.30 -1.88 0.30 -1.71 0.00 0.00 0.00 175.76 172.77 1ov8 n ASN 40 N -3.13 -0.35 -4.26 0.00 5.15 -1.05 -4.93 115.26 106.70 1ov8 n ASN 40 Ca 0.11 -1.18 -0.29 0.00 -0.60 0.00 0.00 54.58 52.62 1ov8 n ASN 40 Cb 0.52 -2.08 -0.16 0.00 -0.53 0.00 0.00 39.78 37.52 1ov8 n ASN 40 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1ov8 s THR 41 N -3.95 1.86 -0.15 -0.44 2.01 -1.25 -4.85 115.64 108.86 1ov8 s THR 41 Ca 0.24 -1.00 -0.29 0.00 0.31 0.00 0.00 61.69 60.95 1ov8 s THR 41 Cb -0.14 -1.55 -0.01 0.00 0.01 0.00 0.00 72.50 70.82 1ov8 s THR 41 CO 0.97 0.53 1.07 -0.69 -0.69 0.00 0.00 174.62 175.80 1ov8 s VAL 42 N -0.46 4.63 0.00 3.82 1.01 -1.26 -0.89 120.40 127.25 1ov8 s VAL 42 Ca 0.06 1.94 0.05 0.00 0.00 0.00 0.00 61.98 64.03 1ov8 s VAL 42 Cb -0.10 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 1ov8 s VAL 42 CO -0.00 -0.08 -0.15 -0.69 0.00 0.00 0.00 175.10 174.19 1ov8 s VAL 43 N 2.61 1.16 -0.26 2.92 1.01 -0.25 -0.56 120.40 127.02 1ov8 s VAL 43 Ca 0.48 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.68 1ov8 s VAL 43 Cb -0.18 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 1ov8 s VAL 43 CO 0.14 0.26 0.06 -0.60 0.00 0.00 0.00 175.10 174.96 1ov8 s ARG 44 N -0.52 3.49 -0.22 2.72 3.52 -0.66 -1.64 118.95 125.64 1ov8 s ARG 44 Ca 0.05 -0.58 -0.13 0.00 -0.13 0.00 0.00 55.73 54.93 1ov8 s ARG 44 Cb -0.06 -3.31 -0.04 0.00 -1.56 0.00 0.00 34.95 29.97 1ov8 s ARG 44 CO -0.00 -0.25 0.29 -1.17 -0.81 0.00 0.00 175.30 173.36 1ov8 s LEU 45 N 1.58 4.13 -0.28 -0.88 0.20 -0.23 -1.60 118.68 121.61 1ov8 s LEU 45 Ca 0.05 0.32 -0.08 0.00 0.69 0.00 0.00 54.13 55.11 1ov8 s LEU 45 Cb -0.15 -2.33 -0.02 0.00 -0.43 0.00 0.00 46.19 43.26 1ov8 s LEU 45 CO 0.03 -0.03 0.10 -1.81 -0.29 0.00 0.00 176.35 174.35 1ov8 s ASP 46 N 1.12 5.26 -0.28 3.68 1.01 -0.36 -1.95 116.67 125.15 1ov8 s ASP 46 Ca 0.14 -0.38 -0.09 0.00 0.71 0.00 0.00 52.55 52.92 1ov8 s ASP 46 Cb -0.14 -1.94 -0.02 0.00 1.01 0.00 0.00 42.92 41.82 1ov8 s ASP 46 CO 0.07 -0.11 0.12 0.12 0.21 0.00 0.00 175.17 175.58 1ov8 s PHE 47 N 1.60 3.14 -0.34 4.23 5.36 0.20 -0.80 117.98 131.36 1ov8 s PHE 47 Ca 0.05 -0.42 -0.10 0.00 -0.96 0.00 0.00 56.93 55.50 1ov8 s PHE 47 Cb -0.16 -2.31 0.01 0.00 -0.34 0.00 0.00 43.02 40.23 1ov8 s PHE 47 CO 0.04 -0.38 0.17 0.08 -1.46 0.00 0.00 175.22 173.68 1ov8 s VAL 48 N 1.63 4.51 -0.91 3.12 1.01 -0.15 -1.21 120.40 128.40 1ov8 s VAL 48 Ca 0.06 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 1ov8 s VAL 48 Cb -0.16 -3.42 0.23 0.00 0.00 0.00 0.00 36.38 33.03 1ov8 s VAL 48 CO 0.06 -0.09 0.85 0.21 0.00 0.00 0.00 175.10 176.12 1ov8 s ASN 49 N 1.57 6.66 -0.24 3.32 2.47 -0.35 -2.71 114.94 125.66 1ov8 s ASN 49 Ca 0.03 -3.17 -0.05 0.00 0.42 0.00 0.00 52.86 50.09 1ov8 s ASN 49 Cb -0.18 -2.12 -0.00 0.00 -1.45 0.00 0.00 41.25 37.49 1ov8 s ASN 49 CO 0.06 -0.39 -0.01 -1.10 -3.72 0.00 0.00 177.10 171.94 1ov8 s GLN 50 N -0.58 3.29 0.08 0.43 -1.52 -1.26 0.55 119.66 120.65 1ov8 s GLN 50 Ca 0.24 -0.69 -0.10 0.00 -1.95 0.00 0.00 55.36 52.85 1ov8 s GLN 50 Cb -0.11 -3.12 0.01 0.00 -0.22 0.00 0.00 33.01 29.57 1ov8 s GLN 50 CO -0.08 -0.27 0.23 0.54 -0.25 0.00 0.00 175.29 175.46 1ov8 s ASN 51 N 1.48 0.03 0.00 5.90 2.20 -1.26 -4.41 114.94 118.88 1ov8 s ASN 51 Ca 0.05 -0.49 0.14 0.00 -0.94 0.00 0.00 52.86 51.62 1ov8 s ASN 51 Cb -0.15 0.35 0.46 0.00 -2.00 0.00 0.00 41.25 39.91 1ov8 s ASN 51 CO -0.01 -0.69 1.36 0.59 -2.94 0.00 0.00 177.10 175.40 1ov8 n ASN 52 N 0.16 1.80 -0.29 3.54 3.02 0.23 -3.97 115.26 119.75 1ov8 n ASN 52 Ca -0.16 -1.90 0.10 0.00 -0.03 0.00 0.00 54.58 52.59 1ov8 n ASN 52 Cb 0.61 -0.19 -0.05 0.00 -0.61 0.00 0.00 39.78 39.55 1ov8 n ASN 52 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ov8 n LEU 53 N 0.46 1.58 -1.62 3.41 4.77 -1.26 -4.95 117.00 119.39 1ov8 n LEU 53 Ca 0.13 -0.66 -0.16 0.00 -0.03 0.00 0.00 56.01 55.29 1ov8 n LEU 53 Cb 0.31 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 1ov8 n LEU 53 CO 0.10 0.32 -0.19 0.61 -1.33 0.00 0.00 177.39 176.90 1ov8 n GLY 54 N 1.41 0.44 3.90 -0.72 0.00 -1.25 -5.00 105.19 103.97 1ov8 n GLY 54 Ca 0.07 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 1ov8 n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ov8 s VAL 55 N -2.73 5.22 0.39 1.61 0.11 -1.26 -4.64 120.40 119.10 1ov8 s VAL 55 Ca 0.00 -0.56 -0.15 0.00 -2.93 0.00 0.00 61.98 58.34 1ov8 s VAL 55 Cb 0.00 -3.59 -0.09 0.00 -1.53 0.00 0.00 36.38 31.17 1ov8 s VAL 55 CO 0.00 0.06 0.82 -1.10 -3.33 0.00 0.00 175.10 171.54 1ov8 s GLN 56 N -2.75 3.99 0.04 1.54 -0.21 -1.26 -3.20 119.66 117.81 1ov8 s GLN 56 Ca 0.34 0.75 -0.16 0.00 0.02 0.00 0.00 55.36 56.31 1ov8 s GLN 56 Cb -0.12 -2.33 0.03 0.00 1.00 0.00 0.00 33.01 31.58 1ov8 s GLN 56 CO 0.27 0.02 0.35 -1.01 -2.12 0.00 0.00 175.29 172.80 1ov8 s HIS 57 N -2.20 -0.18 0.37 0.91 3.76 -0.74 -4.92 115.29 112.28 1ov8 s HIS 57 Ca 0.56 0.12 0.06 0.00 -0.15 0.00 0.00 55.06 55.64 1ov8 s HIS 57 Cb -0.10 0.15 -0.03 0.00 1.11 0.00 0.00 32.58 33.71 1ov8 s HIS 57 CO 0.22 -0.52 0.22 0.54 -0.85 0.00 0.00 174.74 174.34 1ov8 s ASN 58 N -1.95 2.16 -0.09 1.40 4.22 -1.26 -1.02 114.94 118.40 1ov8 s ASN 58 Ca -0.06 -1.74 0.01 0.00 -2.14 0.00 0.00 52.86 48.93 1ov8 s ASN 58 Cb -0.01 0.56 0.02 0.00 1.28 0.00 0.00 41.25 43.10 1ov8 s ASN 58 CO -0.02 -1.02 -0.10 0.86 -2.04 0.00 0.00 177.10 174.78 1ov8 s TRP 59 N -3.35 1.41 -0.09 1.54 -0.00 -1.26 -4.26 118.94 112.94 1ov8 s TRP 59 Ca 0.33 -0.60 -0.01 0.00 -0.00 0.00 0.00 56.10 55.82 1ov8 s TRP 59 Cb 0.02 -1.11 0.03 0.00 -0.00 0.00 0.00 33.47 32.41 1ov8 s TRP 59 CO 0.22 -0.38 -0.02 0.08 -0.00 0.00 0.00 176.95 176.85 1ov8 s VAL 60 N 1.15 0.60 -0.19 5.86 1.01 0.52 -1.42 120.40 127.92 1ov8 s VAL 60 Ca -0.06 -0.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.71 1ov8 s VAL 60 Cb -0.14 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 1ov8 s VAL 60 CO -0.02 0.28 0.44 -0.22 0.00 0.00 0.00 175.10 175.58 1ov8 s LEU 61 N 1.88 4.16 0.11 3.92 2.96 0.17 -0.72 118.68 131.16 1ov8 s LEU 61 Ca 0.05 0.59 0.06 0.00 -0.22 0.00 0.00 54.13 54.60 1ov8 s LEU 61 Cb -0.13 -2.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.94 1ov8 s LEU 61 CO -0.06 -0.10 -0.03 0.68 -1.32 0.00 0.00 176.35 175.52 1ov8 s VAL 62 N 1.36 3.79 -1.38 1.68 -7.23 -0.50 -0.67 120.40 117.45 1ov8 s VAL 62 Ca 0.21 -1.15 -0.09 0.00 -1.81 0.00 0.00 61.98 59.15 1ov8 s VAL 62 Cb -0.15 -2.82 -0.09 0.00 0.56 0.00 0.00 36.38 33.88 1ov8 s VAL 62 CO 0.09 0.07 2.99 -3.20 -0.31 0.00 0.00 175.10 174.74 1ov8 n ASN 63 N 0.47 8.24 0.00 4.85 4.05 0.25 -4.08 115.26 129.04 1ov8 n ASN 63 Ca -0.11 -2.63 0.00 0.00 0.45 0.00 0.00 54.58 52.29 1ov8 n ASN 63 Cb 0.53 -1.52 0.00 0.00 1.23 0.00 0.00 39.78 40.02 1ov8 n ASN 63 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ov8 n GLY 64 N 3.22 -0.36 0.00 8.20 0.00 -1.26 -4.97 105.19 110.01 1ov8 n GLY 64 Ca 0.72 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1ov8 n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ov8 n GLY 65 N 0.00 4.10 0.36 -0.02 0.00 -1.26 -2.09 105.19 106.28 1ov8 n GLY 65 Ca 0.00 -1.88 0.12 0.00 0.00 0.00 0.00 46.02 44.26 1ov8 n GLY 65 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ov8 h ASP 66 N 0.00 0.80 -0.39 1.61 3.32 -1.99 0.30 116.42 120.08 1ov8 h ASP 66 Ca 0.00 0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 1ov8 h ASP 66 Cb 0.00 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1ov8 h ASP 66 CO 0.00 0.33 -0.03 0.44 -1.72 0.00 0.00 179.24 178.26 1ov8 h ASP 67 N 0.81 0.70 -0.47 6.45 3.32 -2.00 -0.99 116.42 124.23 1ov8 h ASP 67 Ca 0.55 -0.33 -0.10 0.00 0.02 0.00 0.00 57.03 57.17 1ov8 h ASP 67 Cb 0.80 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 1ov8 h ASP 67 CO -0.33 0.86 -0.09 0.58 -1.72 0.00 0.00 179.24 178.54 1ov8 h VAL 68 N 0.52 1.27 -0.93 -1.35 2.07 -1.67 -2.92 116.25 113.25 1ov8 h VAL 68 Ca 0.11 -1.21 0.08 0.00 0.82 0.00 0.00 66.70 66.50 1ov8 h VAL 68 Cb 0.52 1.08 -0.07 0.00 -1.52 0.00 0.00 31.29 31.31 1ov8 h VAL 68 CO 0.03 0.42 0.60 0.00 0.02 0.00 0.00 177.57 178.63 1ov8 h ALA 69 N 0.89 1.55 -0.40 1.67 0.00 -0.24 -1.04 119.26 121.68 1ov8 h ALA 69 Ca 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1ov8 h ALA 69 Cb 0.64 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1ov8 h ALA 69 CO 0.04 0.29 0.13 0.00 0.00 0.00 0.00 179.25 179.71 1ov8 h ALA 70 N 1.52 0.53 -0.30 0.00 0.00 -1.06 0.19 119.26 120.14 1ov8 h ALA 70 Ca 0.42 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1ov8 h ALA 70 Cb 0.31 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1ov8 h ALA 70 CO -0.18 0.17 0.20 0.00 0.00 0.00 0.00 179.25 179.44 1ov8 h ALA 71 N 0.98 0.38 -0.54 0.00 0.00 -1.18 0.24 119.26 119.14 1ov8 h ALA 71 Ca 0.13 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1ov8 h ALA 71 Cb 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1ov8 h ALA 71 CO -0.00 -0.15 0.12 0.28 0.00 0.00 0.00 179.25 179.49 1ov8 h VAL 72 N 0.41 1.25 -0.76 0.00 2.07 -0.96 -1.55 116.25 116.69 1ov8 h VAL 72 Ca 0.11 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 1ov8 h VAL 72 Cb -0.04 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1ov8 h VAL 72 CO -0.03 0.33 0.33 -1.13 0.02 0.00 0.00 177.57 177.09 1ov8 h ASN 73 N 0.77 1.03 -0.59 0.57 -1.24 -0.33 -1.06 115.58 114.73 1ov8 h ASN 73 Ca 0.17 -0.16 -0.03 0.00 0.71 0.00 0.00 56.30 56.99 1ov8 h ASN 73 Cb 0.36 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 39.11 1ov8 h ASN 73 CO 0.00 0.90 0.23 0.74 -1.29 0.00 0.00 177.43 178.02 1ov8 h THR 74 N 1.09 1.23 -0.16 -3.57 2.02 -0.31 0.16 112.91 113.36 1ov8 h THR 74 Ca 0.26 -0.72 -0.04 0.00 0.77 0.00 0.00 66.41 66.68 1ov8 h THR 74 Cb 0.18 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1ov8 h THR 74 CO -0.03 0.28 -0.09 0.00 0.37 0.00 0.00 175.52 176.05 1ov8 h ALA 75 N 1.08 1.55 -0.15 6.16 0.00 -0.75 -2.28 119.26 124.88 1ov8 h ALA 75 Ca 0.20 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1ov8 h ALA 75 Cb 0.21 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1ov8 h ALA 75 CO -0.02 0.32 -0.71 0.00 0.00 0.00 0.00 179.25 178.85 1ov8 h ALA 76 N 1.68 0.29 -0.94 0.00 0.00 -0.48 -3.15 119.26 116.67 1ov8 h ALA 76 Ca 0.05 -0.57 0.23 0.00 0.00 0.00 0.00 54.91 54.62 1ov8 h ALA 76 Cb 0.31 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1ov8 h ALA 76 CO 0.02 0.62 0.63 0.37 0.00 0.00 0.00 179.25 180.88 1ov8 h GLN 77 N 0.46 0.27 -0.99 0.00 4.15 -0.11 0.46 115.11 119.36 1ov8 h GLN 77 Ca -0.04 -0.02 -0.41 0.00 0.77 0.00 0.00 58.65 58.95 1ov8 h GLN 77 Cb 1.34 -0.06 -0.24 0.00 0.21 0.00 0.00 27.48 28.72 1ov8 h GLN 77 CO 0.15 0.18 0.52 0.09 -1.93 0.00 0.00 178.83 177.84 1ov8 n ASN 78 N -4.46 3.64 -2.60 -0.69 3.02 -1.13 -4.30 115.26 108.75 1ov8 n ASN 78 Ca 0.20 -3.29 -0.13 0.00 -0.03 0.00 0.00 54.58 51.34 1ov8 n ASN 78 Cb 0.82 -0.77 0.03 0.00 -0.61 0.00 0.00 39.78 39.24 1ov8 n ASN 78 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1ov8 n ASN 79 N -0.80 2.50 0.02 6.41 5.15 0.15 -4.91 115.26 123.79 1ov8 n ASN 79 Ca 0.48 -2.89 0.14 0.00 -0.60 0.00 0.00 54.58 51.71 1ov8 n ASN 79 Cb 1.44 -0.49 0.60 0.00 -0.53 0.00 0.00 39.78 40.81 1ov8 n ASN 79 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ov8 h ALA 80 N 2.76 2.19 0.00 5.20 0.00 -1.76 -0.68 119.26 126.96 1ov8 h ALA 80 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ov8 h ALA 80 Cb 1.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1ov8 h ALA 80 CO 0.54 -0.30 0.00 -0.44 0.00 0.00 0.00 179.25 179.05 1ov8 h ASP 81 N 0.17 0.00 -0.16 0.00 3.32 -1.96 -1.46 116.42 116.33 1ov8 h ASP 81 Ca 0.21 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1ov8 h ASP 81 Cb 0.59 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 1ov8 h ASP 81 CO -0.03 0.00 -0.04 0.00 -1.72 0.00 0.00 179.24 177.45 1ov8 n ALA 82 N -2.02 2.95 -2.90 3.45 0.00 -0.82 -4.75 120.51 116.43 1ov8 n ALA 82 Ca -0.01 -2.60 -0.18 0.00 0.00 0.00 0.00 53.44 50.65 1ov8 n ALA 82 Cb 0.18 -0.58 0.03 0.00 0.00 0.00 0.00 19.45 19.08 1ov8 n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ov8 n LEU 83 N -0.97 -2.52 -1.74 0.00 4.77 -0.55 -3.65 117.00 112.36 1ov8 n LEU 83 Ca 0.21 -0.24 -0.16 0.00 -0.03 0.00 0.00 56.01 55.79 1ov8 n LEU 83 Cb 0.81 -2.53 -0.01 0.00 -2.33 0.00 0.00 43.42 39.36 1ov8 n LEU 83 CO 0.10 0.21 -0.20 0.49 -1.33 0.00 0.00 177.39 176.66 1ov8 n PHE 84 N -4.30 -0.68 -2.53 -1.77 3.72 -0.33 -4.79 117.46 106.78 1ov8 n PHE 84 Ca -0.09 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.04 1ov8 n PHE 84 Cb 0.60 -3.19 0.01 0.00 -0.94 0.00 0.00 39.48 35.95 1ov8 n PHE 84 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1ov8 s VAL 85 N -2.76 4.66 0.31 -4.37 -7.23 -1.24 -4.35 120.40 105.41 1ov8 s VAL 85 Ca 0.00 0.21 -0.30 0.00 -1.81 0.00 0.00 61.98 60.09 1ov8 s VAL 85 Cb 0.00 -3.79 -0.11 0.00 0.56 0.00 0.00 36.38 33.04 1ov8 s VAL 85 CO 0.00 -0.80 1.60 -2.84 -0.31 0.00 0.00 175.10 172.75 1ov8 s PRO 86 N -4.82 4.10 0.66 4.82 0.02 -1.26 -4.62 135.00 133.90 1ov8 s PRO 86 Ca 0.49 2.61 -0.18 0.00 0.02 0.00 0.00 61.00 63.94 1ov8 s PRO 86 Cb -0.10 -3.01 -0.01 0.00 0.02 0.00 0.00 34.50 31.40 1ov8 s PRO 86 CO 0.46 -0.65 1.22 -2.30 -0.33 0.00 0.00 177.00 175.40 1ov8 n PRO 87 N 2.00 0.99 -1.71 5.54 -0.02 -1.26 -4.90 135.00 135.64 1ov8 n PRO 87 Ca 0.08 0.39 -0.40 0.00 -2.02 0.00 0.00 63.50 61.55 1ov8 n PRO 87 Cb 0.37 -2.46 0.02 0.00 -0.02 0.00 0.00 33.50 31.41 1ov8 n PRO 87 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1ov8 n PRO 88 N -1.87 1.85 -0.94 0.52 -0.02 -1.26 -1.47 135.00 131.81 1ov8 n PRO 88 Ca 0.15 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1ov8 n PRO 88 Cb 0.48 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1ov8 n PRO 88 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ov8 n ASP 89 N -0.07 -2.41 -4.66 2.55 8.00 -1.26 -4.97 116.55 113.73 1ov8 n ASP 89 Ca 0.08 0.00 -0.48 0.00 0.71 0.00 0.00 54.79 55.10 1ov8 n ASP 89 Cb 0.41 -1.22 -0.05 0.00 -0.02 0.00 0.00 41.12 40.24 1ov8 n ASP 89 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1ov8 n THR 90 N -2.41 0.14 -1.82 -3.53 -1.04 -0.54 -4.88 114.28 100.20 1ov8 n THR 90 Ca 0.00 -0.03 -0.41 0.00 -2.04 0.00 0.00 64.05 61.57 1ov8 n THR 90 Cb 0.10 -1.51 -0.01 0.00 -1.82 0.00 0.00 70.33 67.09 1ov8 n THR 90 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1ov8 s PRO 91 N 1.65 4.14 -0.08 -2.82 0.02 -1.26 -3.01 135.00 133.64 1ov8 s PRO 91 Ca 0.83 2.54 0.00 0.00 0.02 0.00 0.00 61.00 64.39 1ov8 s PRO 91 Cb -0.73 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 30.77 1ov8 s PRO 91 CO 0.43 -0.57 0.00 0.09 -0.33 0.00 0.00 177.00 176.62 1ov8 n ASN 92 N 1.67 -4.28 -4.38 2.53 5.03 -1.26 -4.77 115.26 109.79 1ov8 n ASN 92 Ca 0.06 0.02 -0.45 0.00 0.87 0.00 0.00 54.58 55.08 1ov8 n ASN 92 Cb 0.38 -1.85 -0.07 0.00 -1.02 0.00 0.00 39.78 37.23 1ov8 n ASN 92 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ov8 s ALA 93 N -1.63 3.54 0.07 5.41 0.00 -1.16 0.87 121.76 128.85 1ov8 s ALA 93 Ca 0.00 -2.14 -0.15 0.00 0.00 0.00 0.00 51.96 49.68 1ov8 s ALA 93 Cb 0.00 -3.19 -0.21 0.00 0.00 0.00 0.00 23.12 19.72 1ov8 s ALA 93 CO 0.00 -1.88 1.21 -0.07 0.00 0.00 0.00 175.76 175.02 1ov8 h LEU 94 N 9.03 0.87 -7.00 0.00 3.38 -1.22 -1.85 115.31 118.52 1ov8 h LEU 94 Ca -0.29 -0.71 0.01 0.00 0.09 0.00 0.00 57.88 56.98 1ov8 h LEU 94 Cb 1.10 -0.26 -0.22 0.00 0.09 0.00 0.00 40.66 41.37 1ov8 h LEU 94 CO 0.94 1.46 0.33 0.00 0.09 0.00 0.00 178.44 181.26 1ov8 s ALA 95 N -3.42 -1.85 -0.05 1.53 0.00 -1.15 -0.99 121.76 115.82 1ov8 s ALA 95 Ca -0.10 1.64 -0.20 0.00 0.00 0.00 0.00 51.96 53.30 1ov8 s ALA 95 Cb 0.07 -0.69 0.04 0.00 0.00 0.00 0.00 23.12 22.53 1ov8 s ALA 95 CO 0.90 -0.32 0.44 1.67 0.00 0.00 0.00 175.76 178.45 1ov8 s TRP 96 N -0.60 -0.37 0.69 0.00 -2.14 0.56 0.43 118.94 117.50 1ov8 s TRP 96 Ca -0.04 0.68 -0.07 0.00 2.66 0.00 0.00 56.10 59.34 1ov8 s TRP 96 Cb -0.02 0.20 0.05 0.00 -3.10 0.00 0.00 33.47 30.60 1ov8 s TRP 96 CO 0.03 -0.43 1.00 0.95 -2.66 0.00 0.00 176.95 175.85 1ov8 s THR 97 N -1.01 2.50 1.00 0.66 -4.23 -0.51 -1.37 115.64 112.68 1ov8 s THR 97 Ca -0.10 -0.21 -0.12 0.00 -1.18 0.00 0.00 61.69 60.08 1ov8 s THR 97 Cb -0.03 -3.08 0.19 0.00 1.34 0.00 0.00 72.50 70.92 1ov8 s THR 97 CO 0.05 -0.09 1.08 0.00 -0.54 0.00 0.00 174.62 175.13 1ov8 s ALA 98 N -3.22 0.78 -0.14 3.99 0.00 -1.26 -4.55 121.76 117.37 1ov8 s ALA 98 Ca 0.59 0.05 -0.27 0.00 0.00 0.00 0.00 51.96 52.32 1ov8 s ALA 98 Cb -0.11 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 1ov8 s ALA 98 CO 0.45 -3.00 0.92 1.41 0.00 0.00 0.00 175.76 175.54 1ov8 s MET 99 N -4.71 4.35 -0.12 0.00 1.75 -1.26 -4.58 119.30 114.74 1ov8 s MET 99 Ca 0.66 1.21 -0.02 0.00 -1.25 0.00 0.00 55.69 56.29 1ov8 s MET 99 Cb -0.22 -3.56 -0.03 0.00 2.84 0.00 0.00 34.83 33.87 1ov8 s MET 99 CO 0.60 -0.33 -0.06 -0.51 -0.65 0.00 0.00 175.02 174.07 1ov8 s LEU 100 N 2.12 3.15 0.69 4.11 1.43 -0.19 -4.92 118.68 125.07 1ov8 s LEU 100 Ca 0.43 -0.12 -0.14 0.00 -1.03 0.00 0.00 54.13 53.27 1ov8 s LEU 100 Cb -0.17 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.33 1ov8 s LEU 100 CO 0.14 0.24 1.11 0.20 0.23 0.00 0.00 176.35 178.27 1ov8 s ASN 101 N -0.04 4.93 0.08 2.29 0.01 -1.26 -1.79 114.94 119.15 1ov8 s ASN 101 Ca 0.00 1.98 -0.36 0.00 -0.71 0.00 0.00 52.86 53.77 1ov8 s ASN 101 Cb -0.13 -2.55 -0.16 0.00 0.41 0.00 0.00 41.25 38.82 1ov8 s ASN 101 CO 0.03 -1.75 1.45 0.00 -1.51 0.00 0.00 177.10 175.31 1ov8 n ALA 102 N -2.67 -0.21 -0.24 0.60 0.00 -1.19 -0.53 120.51 116.27 1ov8 n ALA 102 Ca 0.10 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1ov8 n ALA 102 Cb 0.52 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1ov8 n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ov8 n GLY 103 N 2.92 0.70 3.90 0.00 0.00 0.19 -4.97 105.19 107.93 1ov8 n GLY 103 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 1ov8 n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ov8 s GLU 104 N -0.70 2.94 0.00 1.61 2.02 0.31 -4.94 118.70 119.94 1ov8 s GLU 104 Ca 0.00 -1.12 -0.01 0.00 0.02 0.00 0.00 54.97 53.85 1ov8 s GLU 104 Cb 0.00 -2.63 -0.01 0.00 0.10 0.00 0.00 34.13 31.60 1ov8 s GLU 104 CO 0.00 0.17 0.02 -1.12 0.02 0.00 0.00 175.26 174.35 1ov8 s SER 105 N -4.01 0.07 -0.00 -0.19 0.01 -1.26 -1.21 113.70 107.11 1ov8 s SER 105 Ca 0.40 -0.17 -0.21 0.00 1.31 0.00 0.00 55.95 57.28 1ov8 s SER 105 Cb -0.07 0.10 0.04 0.00 0.21 0.00 0.00 66.02 66.29 1ov8 s SER 105 CO 0.28 -0.16 0.46 -0.83 0.41 0.00 0.00 173.24 173.41 1ov8 s GLY 106 N -0.68 -0.34 0.29 3.44 0.00 -0.35 -5.00 107.32 104.69 1ov8 s GLY 106 Ca -0.07 0.62 0.06 0.00 0.00 0.00 0.00 44.72 45.33 1ov8 s GLY 106 CO -0.00 0.35 -0.04 -0.56 0.00 0.00 0.00 173.10 172.85 1ov8 s SER 107 N -1.55 2.77 -0.08 1.64 0.01 -1.26 -0.63 113.70 114.60 1ov8 s SER 107 Ca -0.10 -1.23 -0.05 0.00 1.31 0.00 0.00 55.95 55.89 1ov8 s SER 107 Cb -0.02 -0.17 0.03 0.00 0.21 0.00 0.00 66.02 66.07 1ov8 s SER 107 CO 0.03 -0.39 0.18 0.54 0.41 0.00 0.00 173.24 174.02 1ov8 s VAL 108 N -3.04 -0.03 -0.18 3.43 0.11 -0.82 -4.68 120.40 115.19 1ov8 s VAL 108 Ca 0.31 0.10 -0.03 0.00 -2.93 0.00 0.00 61.98 59.43 1ov8 s VAL 108 Cb 0.05 -0.28 -0.02 0.00 -1.53 0.00 0.00 36.38 34.60 1ov8 s VAL 108 CO 0.13 0.04 -0.06 -0.89 -3.33 0.00 0.00 175.10 170.99 1ov8 s THR 109 N 0.75 3.45 0.14 5.04 2.01 -1.26 -1.06 115.64 124.71 1ov8 s THR 109 Ca -0.05 -0.49 -0.14 0.00 0.31 0.00 0.00 61.69 61.31 1ov8 s THR 109 Cb -0.07 -2.53 0.02 0.00 0.01 0.00 0.00 72.50 69.94 1ov8 s THR 109 CO -0.04 0.47 0.38 0.72 -0.69 0.00 0.00 174.62 175.46 1ov8 s PHE 110 N 0.89 -0.04 -0.24 4.92 -0.71 -0.65 -1.88 117.98 120.26 1ov8 s PHE 110 Ca -0.01 -0.30 -0.21 0.00 -1.04 0.00 0.00 56.93 55.36 1ov8 s PHE 110 Cb -0.15 0.20 -0.02 0.00 -1.21 0.00 0.00 43.02 41.84 1ov8 s PHE 110 CO 0.01 -0.73 0.68 0.50 -1.34 0.00 0.00 175.22 174.34 1ov8 s ARG 111 N -3.85 4.15 0.62 1.99 3.52 0.55 -1.09 118.95 124.84 1ov8 s ARG 111 Ca 0.07 0.66 -0.18 0.00 -0.13 0.00 0.00 55.73 56.14 1ov8 s ARG 111 Cb 0.02 -3.63 -0.03 0.00 -1.56 0.00 0.00 34.95 29.74 1ov8 s ARG 111 CO -0.08 -0.40 1.06 0.25 -0.81 0.00 0.00 175.30 175.32 1ov8 n THR 112 N 5.11 4.12 -0.78 4.11 -2.24 -0.07 -4.84 114.28 119.68 1ov8 n THR 112 Ca 0.01 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1ov8 n THR 112 Cb 0.49 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.47 1ov8 n THR 112 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1ov8 n PRO 113 N -1.31 -0.01 -1.21 -0.78 -0.04 -1.26 -2.53 135.00 127.86 1ov8 n PRO 113 Ca 0.14 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.30 1ov8 n PRO 113 Cb 0.48 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.05 1ov8 n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ov8 s ALA 114 N -3.83 1.87 0.40 0.55 0.00 -1.26 -2.71 121.76 116.78 1ov8 s ALA 114 Ca 0.00 0.12 -0.25 0.00 0.00 0.00 0.00 51.96 51.83 1ov8 s ALA 114 Cb 0.00 -3.24 -0.12 0.00 0.00 0.00 0.00 23.12 19.76 1ov8 s ALA 114 CO 0.00 -2.09 0.91 -2.30 0.00 0.00 0.00 175.76 172.28 1ov8 n PRO 115 N -3.73 1.17 -2.62 0.00 -0.02 -1.26 -4.82 135.00 123.72 1ov8 n PRO 115 Ca 0.08 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1ov8 n PRO 115 Cb 0.54 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 1ov8 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ov8 n GLY 116 N 1.32 -0.74 3.27 -1.23 0.00 -0.20 -4.97 105.19 102.65 1ov8 n GLY 116 Ca 0.10 -1.48 -0.32 0.00 0.00 0.00 0.00 46.02 44.32 1ov8 n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ov8 s THR 117 N -2.48 2.29 -0.00 2.61 2.01 -1.26 -0.23 115.64 118.58 1ov8 s THR 117 Ca 0.00 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.06 1ov8 s THR 117 Cb 0.00 -1.88 -0.00 0.00 0.01 0.00 0.00 72.50 70.62 1ov8 s THR 117 CO 0.00 0.56 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.14 1ov8 s TYR 118 N 0.16 0.36 0.17 4.92 1.51 -0.03 -4.66 117.35 119.77 1ov8 s TYR 118 Ca -0.12 -0.09 -0.20 0.00 -1.01 0.00 0.00 57.07 55.65 1ov8 s TYR 118 Cb -0.16 -0.23 -0.08 0.00 -0.11 0.00 0.00 41.96 41.38 1ov8 s TYR 118 CO 0.07 -0.01 0.67 -0.51 -1.11 0.00 0.00 175.55 174.65 1ov8 s LEU 119 N -0.19 4.43 -0.05 -1.29 1.43 -0.89 0.60 118.68 122.72 1ov8 s LEU 119 Ca 0.01 1.37 0.06 0.00 -1.03 0.00 0.00 54.13 54.54 1ov8 s LEU 119 Cb -0.02 -3.32 -0.02 0.00 0.03 0.00 0.00 46.19 42.86 1ov8 s LEU 119 CO -0.00 0.13 -0.24 -0.72 0.23 0.00 0.00 176.35 175.76 1ov8 s TYR 120 N -1.35 2.45 0.21 0.29 -0.85 -0.02 -1.41 117.35 116.68 1ov8 s TYR 120 Ca 0.37 -0.58 0.01 0.00 -0.52 0.00 0.00 57.07 56.35 1ov8 s TYR 120 Cb -0.18 -1.58 -0.05 0.00 0.38 0.00 0.00 41.96 40.53 1ov8 s TYR 120 CO 0.21 -0.12 0.08 0.96 -1.52 0.00 0.00 175.55 175.15 1ov8 s ILE 121 N -0.33 0.43 -0.15 -3.49 -4.36 0.10 -0.31 121.20 113.09 1ov8 s ILE 121 Ca 0.02 -1.99 -0.06 0.00 -0.26 0.00 0.00 60.65 58.36 1ov8 s ILE 121 Cb -0.12 -2.42 -0.04 0.00 1.25 0.00 0.00 42.46 41.13 1ov8 s ILE 121 CO 0.02 -0.17 0.07 0.00 0.24 0.00 0.00 174.94 175.11 1ov8 n THR 123 N 2.86 0.39 -1.73 0.00 -2.24 -1.26 -3.18 114.28 109.11 1ov8 n THR 123 Ca -0.18 -0.69 -0.42 0.00 -2.27 0.00 0.00 64.05 60.48 1ov8 n THR 123 Cb 0.53 1.11 -0.02 0.00 -2.10 0.00 0.00 70.33 69.85 1ov8 n THR 123 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1ov8 n PHE 124 N 1.48 2.71 -1.62 4.78 7.35 -1.26 -4.61 117.46 126.28 1ov8 n PHE 124 Ca 0.18 0.25 -0.62 0.00 -0.76 0.00 0.00 57.45 56.50 1ov8 n PHE 124 Cb 0.61 -2.59 -0.09 0.00 0.35 0.00 0.00 39.48 37.77 1ov8 n PHE 124 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1ov8 n PRO 125 N 2.46 0.14 0.00 -7.13 -0.02 -1.26 -0.97 135.00 128.21 1ov8 n PRO 125 Ca 0.10 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1ov8 n PRO 125 Cb 0.35 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1ov8 n PRO 125 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ov8 n GLY 126 N 2.73 2.63 0.19 -1.23 0.00 -1.26 -4.88 105.19 103.37 1ov8 n GLY 126 Ca 0.25 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.11 1ov8 n GLY 126 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1ov8 h HIS 127 N 0.00 0.80 -0.35 1.61 3.86 -1.32 -0.70 115.15 119.05 1ov8 h HIS 127 Ca 0.00 -0.33 0.04 0.00 -1.16 0.00 0.00 60.37 58.92 1ov8 h HIS 127 Cb 0.00 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.30 1ov8 h HIS 127 CO 0.00 1.11 0.12 -0.92 0.86 0.00 0.00 177.93 179.10 1ov8 h TYR 128 N 0.26 0.22 -0.18 2.45 3.20 -1.73 0.14 116.97 121.33 1ov8 h TYR 128 Ca -0.02 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 1ov8 h TYR 128 Cb 1.14 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 1ov8 h TYR 128 CO 0.10 0.09 0.01 -0.07 -1.64 0.00 0.00 178.16 176.65 1ov8 h LEU 129 N 0.27 0.23 0.00 2.82 3.38 -1.89 0.77 115.31 120.89 1ov8 h LEU 129 Ca 0.16 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ov8 h LEU 129 Cb 0.13 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1ov8 h LEU 129 CO -0.16 0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.64 1ov8 n ALA 130 N -2.50 2.46 0.00 1.53 0.00 -0.28 -4.87 120.51 116.86 1ov8 n ALA 130 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1ov8 n ALA 130 Cb 0.17 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1ov8 n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ov8 n GLY 131 N 0.78 1.02 3.53 0.00 0.00 0.26 -4.97 105.19 105.81 1ov8 n GLY 131 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1ov8 n GLY 131 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ov8 s MET 132 N -0.27 3.75 0.24 1.61 0.00 0.41 -4.86 119.30 120.17 1ov8 s MET 132 Ca 0.00 -1.64 -0.17 0.00 0.00 0.00 0.00 55.69 53.89 1ov8 s MET 132 Cb 0.00 -5.28 0.01 0.00 0.00 0.00 0.00 34.83 29.56 1ov8 s MET 132 CO 0.00 -2.08 0.56 -1.59 0.00 0.00 0.00 175.02 171.91 1ov8 s LYS 133 N 3.94 1.57 0.28 4.11 -2.85 -1.26 -2.39 119.74 123.14 1ov8 s LYS 133 Ca 0.45 -1.06 -0.18 0.00 -1.00 0.00 0.00 55.97 54.18 1ov8 s LYS 133 Cb -0.00 0.53 0.02 0.00 -2.06 0.00 0.00 37.83 36.31 1ov8 s LYS 133 CO -0.04 -0.68 0.66 0.20 0.10 0.00 0.00 175.35 175.59 1ov8 s GLY 134 N -2.95 0.14 -0.17 0.59 0.00 0.57 -4.74 107.32 100.77 1ov8 s GLY 134 Ca 0.15 -0.52 -0.02 0.00 0.00 0.00 0.00 44.72 44.34 1ov8 s GLY 134 CO 0.05 -0.26 -0.09 -1.59 0.00 0.00 0.00 173.10 171.20 1ov8 s THR 135 N -3.80 3.18 -0.26 0.90 2.01 0.10 -0.84 115.64 116.94 1ov8 s THR 135 Ca 0.15 -0.59 -0.12 0.00 0.31 0.00 0.00 61.69 61.44 1ov8 s THR 135 Cb -0.04 -2.39 -0.05 0.00 0.01 0.00 0.00 72.50 70.03 1ov8 s THR 135 CO 0.08 0.48 0.21 -0.22 -0.69 0.00 0.00 174.62 174.49 1ov8 s LEU 136 N 0.86 4.07 -0.30 4.42 2.96 0.20 -1.11 118.68 129.79 1ov8 s LEU 136 Ca -0.03 0.11 -0.13 0.00 -0.22 0.00 0.00 54.13 53.86 1ov8 s LEU 136 Cb -0.15 -2.18 -0.03 0.00 0.50 0.00 0.00 46.19 44.33 1ov8 s LEU 136 CO 0.01 -0.02 0.29 -0.89 -1.32 0.00 0.00 176.35 174.41 1ov8 s THR 137 N 1.49 5.23 -0.27 3.68 2.01 -0.28 -0.85 115.64 126.65 1ov8 s THR 137 Ca 0.09 0.23 -0.11 0.00 0.31 0.00 0.00 61.69 62.21 1ov8 s THR 137 Cb -0.15 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.65 1ov8 s THR 137 CO 0.08 0.12 0.19 -0.69 -0.69 0.00 0.00 174.62 173.63 1ov8 s VAL 138 N 1.91 5.32 0.57 3.82 1.01 0.68 -1.84 120.40 131.87 1ov8 s VAL 138 Ca 0.10 0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.32 1ov8 s VAL 138 Cb -0.16 -3.53 0.07 0.00 0.00 0.00 0.00 36.38 32.76 1ov8 s VAL 138 CO 0.11 0.28 0.79 0.42 0.00 0.00 0.00 175.10 176.70 1ov8 s THR 139 N 1.53 2.46 -2.00 3.92 -4.23 -0.43 -1.03 115.64 115.87 1ov8 s THR 139 Ca 0.08 -0.81 0.06 0.00 -1.18 0.00 0.00 61.69 59.84 1ov8 s THR 139 Cb -0.15 -2.65 0.18 0.00 1.34 0.00 0.00 72.50 71.21 1ov8 s THR 139 CO 0.09 0.00 0.84 -2.65 -0.54 0.00 0.00 174.62 172.36