#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 6.02 0.10 0.00 2.47 -1.26 -4.85 114.94 117.42 1ov8 s ASN 3 Ca 0.00 -0.54 -0.14 0.00 0.42 0.00 0.00 52.86 52.60 1ov8 s ASN 3 Cb 0.00 -2.56 0.02 0.00 -1.45 0.00 0.00 41.25 37.27 1ov8 s ASN 3 CO 0.00 -1.92 0.33 0.00 -3.72 0.00 0.00 177.10 171.79 1ov8 s ALA 4 N 6.40 -0.70 0.91 1.71 0.00 -1.26 -4.81 121.76 124.01 1ov8 s ALA 4 Ca 0.45 -0.17 -0.11 0.00 0.00 0.00 0.00 51.96 52.12 1ov8 s ALA 4 Cb -0.07 0.56 0.14 0.00 0.00 0.00 0.00 23.12 23.75 1ov8 s ALA 4 CO 0.10 -0.56 1.10 -1.25 0.00 0.00 0.00 175.76 175.15 1ov8 s PRO 5 N -3.55 1.11 0.00 0.00 0.04 -1.26 -4.31 135.00 127.03 1ov8 s PRO 5 Ca 0.02 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1ov8 s PRO 5 Cb 0.02 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1ov8 s PRO 5 CO -0.10 -2.42 0.00 0.41 0.04 0.00 0.00 177.00 174.93 1ov8 n GLY 6 N -0.53 1.10 0.00 0.56 0.00 -0.77 -4.94 105.19 100.62 1ov8 n GLY 6 Ca 0.08 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 3.78 0.21 -0.02 0.00 -1.26 -0.01 105.19 107.88 1ov8 n GLY 7 Ca 0.00 -1.67 0.03 0.00 0.00 0.00 0.00 46.02 44.39 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 0.04 -0.39 1.61 4.64 -0.79 -3.01 113.55 115.65 1ov8 h SER 8 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1ov8 h SER 8 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1ov8 h SER 8 CO 0.00 0.32 0.00 0.59 -0.87 0.00 0.00 176.83 176.87 1ov8 n ASN 9 N -4.19 2.93 -4.77 4.97 4.13 -0.37 -4.96 115.26 113.00 1ov8 n ASN 9 Ca -0.02 -1.93 -0.41 0.00 1.68 0.00 0.00 54.58 53.91 1ov8 n ASN 9 Cb 0.34 -0.25 -0.01 0.00 -1.54 0.00 0.00 39.78 38.31 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 -1.50 2.48 0.04 2.41 1.01 -1.14 -0.66 120.40 123.05 1ov8 s VAL 10 Ca 0.37 0.49 -0.04 0.00 0.00 0.00 0.00 61.98 62.80 1ov8 s VAL 10 Cb 0.21 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 1ov8 s VAL 10 CO 0.29 0.11 0.06 0.68 0.00 0.00 0.00 175.10 176.24 1ov8 s VAL 11 N -1.14 0.15 -1.04 2.92 -7.23 -0.72 -4.86 120.40 108.48 1ov8 s VAL 11 Ca 0.51 -1.27 -0.05 0.00 -1.81 0.00 0.00 61.98 59.36 1ov8 s VAL 11 Cb -0.42 -1.04 0.29 0.00 0.56 0.00 0.00 36.38 35.77 1ov8 s VAL 11 CO 0.56 -0.70 1.27 0.59 -0.31 0.00 0.00 175.10 176.50 1ov8 n ASN 12 N 0.60 5.79 -4.16 4.85 3.02 -1.26 -4.57 115.26 119.52 1ov8 n ASN 12 Ca -0.18 -3.28 -0.11 0.00 -0.03 0.00 0.00 54.58 50.98 1ov8 n ASN 12 Cb 0.59 -1.24 -0.10 0.00 -0.61 0.00 0.00 39.78 38.42 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 -2.22 0.82 0.17 3.52 2.02 -1.26 -5.12 118.70 116.62 1ov8 s GLU 13 Ca 0.31 -1.30 -0.32 0.00 0.02 0.00 0.00 54.97 53.69 1ov8 s GLU 13 Cb 0.00 -0.22 -0.10 0.00 0.10 0.00 0.00 34.13 33.91 1ov8 s GLU 13 CO 0.02 -0.01 1.57 0.99 0.02 0.00 0.00 175.26 177.85 1ov8 s THR 14 N -3.46 2.61 0.27 3.63 2.01 -1.26 -4.96 115.64 114.48 1ov8 s THR 14 Ca 0.10 0.44 -0.29 0.00 0.31 0.00 0.00 61.69 62.25 1ov8 s THR 14 Cb 0.04 -3.28 -0.09 0.00 0.01 0.00 0.00 72.50 69.18 1ov8 s THR 14 CO -0.04 0.03 1.21 -2.84 -0.69 0.00 0.00 174.62 172.29 1ov8 s PRO 15 N 1.14 4.49 0.23 4.92 0.02 -1.26 -4.84 135.00 139.70 1ov8 s PRO 15 Ca 0.70 1.98 0.13 0.00 0.02 0.00 0.00 61.00 63.83 1ov8 s PRO 15 Cb -0.44 -3.16 -0.01 0.00 0.02 0.00 0.00 34.50 30.91 1ov8 s PRO 15 CO 0.31 -0.03 1.40 0.00 -0.33 0.00 0.00 177.00 178.35 1ov8 h ALA 16 N 4.16 0.58 -2.60 -1.55 0.00 -0.86 -3.47 119.26 115.52 1ov8 h ALA 16 Ca -0.47 -0.59 -0.12 0.00 0.00 0.00 0.00 54.91 53.74 1ov8 h ALA 16 Cb 1.22 -0.10 -0.18 0.00 0.00 0.00 0.00 17.79 18.72 1ov8 h ALA 16 CO 0.69 0.81 -0.38 -0.65 0.00 0.00 0.00 179.25 179.71 1ov8 s GLN 17 N -2.89 0.66 0.09 0.00 -0.21 -1.10 -5.06 119.66 111.14 1ov8 s GLN 17 Ca 0.03 -0.51 0.07 0.00 0.02 0.00 0.00 55.36 54.97 1ov8 s GLN 17 Cb 0.08 0.28 -0.03 0.00 1.00 0.00 0.00 33.01 34.34 1ov8 s GLN 17 CO 0.77 -0.18 -0.19 0.95 -2.12 0.00 0.00 175.29 174.51 1ov8 s THR 18 N -2.15 1.55 -0.05 -0.19 -4.23 -1.26 -1.38 115.64 107.92 1ov8 s THR 18 Ca -0.08 -1.42 -0.05 0.00 -1.18 0.00 0.00 61.69 58.95 1ov8 s THR 18 Cb -0.03 -1.41 0.01 0.00 1.34 0.00 0.00 72.50 72.41 1ov8 s THR 18 CO -0.02 -0.06 0.14 0.54 -0.54 0.00 0.00 174.62 174.69 1ov8 s VAL 19 N -1.13 -0.00 -0.12 2.29 0.11 -0.38 -4.94 120.40 116.24 1ov8 s VAL 19 Ca 0.04 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.04 1ov8 s VAL 19 Cb -0.10 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.50 1ov8 s VAL 19 CO 0.03 0.00 0.09 -0.70 -3.33 0.00 0.00 175.10 171.20 1ov8 s GLU 20 N 0.09 3.35 -0.02 1.54 2.12 -1.26 -0.76 118.70 123.76 1ov8 s GLU 20 Ca -0.00 -0.23 0.06 0.00 0.36 0.00 0.00 54.97 55.16 1ov8 s GLU 20 Cb -0.01 -3.08 -0.01 0.00 0.26 0.00 0.00 34.13 31.29 1ov8 s GLU 20 CO 0.00 0.72 -0.19 0.08 -0.54 0.00 0.00 175.26 175.33 1ov8 s VAL 21 N -0.88 1.51 0.19 3.70 1.01 0.08 -4.94 120.40 121.07 1ov8 s VAL 21 Ca 0.14 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.40 1ov8 s VAL 21 Cb -0.12 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1ov8 s VAL 21 CO 0.03 0.43 -0.17 -0.13 0.00 0.00 0.00 175.10 175.26 1ov8 s ARG 22 N -0.32 1.31 0.40 2.72 0.52 -1.26 -0.75 118.95 121.57 1ov8 s ARG 22 Ca 0.04 -1.49 -0.12 0.00 -0.52 0.00 0.00 55.73 53.64 1ov8 s ARG 22 Cb -0.09 -1.27 -0.07 0.00 0.52 0.00 0.00 34.95 34.05 1ov8 s ARG 22 CO 0.00 0.24 0.79 0.00 0.02 0.00 0.00 175.30 176.35 1ov8 s ALA 23 N -2.42 3.31 0.34 2.13 0.00 -0.98 -0.06 121.76 124.08 1ov8 s ALA 23 Ca 0.19 -0.10 -0.29 0.00 0.00 0.00 0.00 51.96 51.76 1ov8 s ALA 23 Cb -0.04 -2.77 -0.10 0.00 0.00 0.00 0.00 23.12 20.21 1ov8 s ALA 23 CO 0.07 0.04 1.34 0.00 0.00 0.00 0.00 175.76 177.21 1ov8 s ALA 24 N -2.31 3.51 0.26 0.00 0.00 0.81 -4.32 121.76 119.71 1ov8 s ALA 24 Ca 0.53 1.32 0.06 0.00 0.00 0.00 0.00 51.96 53.87 1ov8 s ALA 24 Cb -0.10 -3.50 0.34 0.00 0.00 0.00 0.00 23.12 19.85 1ov8 s ALA 24 CO 0.28 -0.72 1.61 -1.00 0.00 0.00 0.00 175.76 175.94 1ov8 h PRO 25 N 3.34 0.18 0.00 0.00 0.13 -1.89 -3.33 132.00 130.43 1ov8 h PRO 25 Ca -0.49 -0.11 -0.02 0.00 -0.87 0.00 0.00 66.00 64.51 1ov8 h PRO 25 Cb 1.23 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1ov8 h PRO 25 CO 0.65 0.69 -0.32 -0.25 -0.23 0.00 0.00 178.00 178.54 1ov8 n ASP 26 N -3.90 1.75 -3.77 1.44 8.00 -1.26 0.41 116.55 119.22 1ov8 n ASP 26 Ca -0.02 -3.16 -0.10 0.00 0.71 0.00 0.00 54.79 52.22 1ov8 n ASP 26 Cb 0.58 -0.43 -0.05 0.00 -0.02 0.00 0.00 41.12 41.20 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 -2.44 -0.72 -1.33 2.24 0.00 -1.25 -5.05 121.76 113.21 1ov8 s ALA 27 Ca 0.31 -0.34 -0.12 0.00 0.00 0.00 0.00 51.96 51.81 1ov8 s ALA 27 Cb 0.29 0.81 0.12 0.00 0.00 0.00 0.00 23.12 24.34 1ov8 s ALA 27 CO -0.03 -0.73 1.94 1.28 0.00 0.00 0.00 175.76 178.22 1ov8 n LEU 28 N -0.28 6.44 -3.81 0.00 4.77 -1.26 -4.41 117.00 118.45 1ov8 n LEU 28 Ca -0.11 -4.40 -0.09 0.00 -0.03 0.00 0.00 56.01 51.38 1ov8 n LEU 28 Cb 0.63 -1.58 -0.04 0.00 -2.33 0.00 0.00 43.42 40.10 1ov8 n LEU 28 CO 0.19 1.12 0.24 0.00 -1.33 0.00 0.00 177.39 177.61 1ov8 s ALA 29 N 1.75 -0.76 0.18 -1.18 0.00 -1.26 -3.69 121.76 116.80 1ov8 s ALA 29 Ca 0.44 -0.39 -0.16 0.00 0.00 0.00 0.00 51.96 51.85 1ov8 s ALA 29 Cb 0.09 0.88 -0.07 0.00 0.00 0.00 0.00 23.12 24.02 1ov8 s ALA 29 CO -0.02 -0.81 0.60 -0.06 0.00 0.00 0.00 175.76 175.47 1ov8 s PHE 30 N -3.91 3.60 0.35 0.00 0.08 -1.26 -0.14 117.98 116.71 1ov8 s PHE 30 Ca 0.12 1.15 0.10 0.00 0.12 0.00 0.00 56.93 58.42 1ov8 s PHE 30 Cb -0.01 -2.44 0.65 0.00 -0.57 0.00 0.00 43.02 40.65 1ov8 s PHE 30 CO -0.00 0.38 1.81 0.00 -0.10 0.00 0.00 175.22 177.31 1ov8 h ALA 31 N 3.43 1.32 -3.08 5.36 0.00 -0.66 -3.40 119.26 122.23 1ov8 h ALA 31 Ca -0.48 -0.33 -0.68 0.00 0.00 0.00 0.00 54.91 53.42 1ov8 h ALA 31 Cb 1.19 -0.08 -0.27 0.00 0.00 0.00 0.00 17.79 18.63 1ov8 h ALA 31 CO 0.66 0.48 -0.64 -0.65 0.00 0.00 0.00 179.25 179.09 1ov8 s GLN 32 N -4.30 3.00 0.00 0.00 1.11 -1.26 -4.97 119.66 113.24 1ov8 s GLN 32 Ca -0.04 -0.91 0.27 0.00 0.01 0.00 0.00 55.36 54.69 1ov8 s GLN 32 Cb 0.14 -3.31 0.81 0.00 -1.01 0.00 0.00 33.01 29.64 1ov8 s GLN 32 CO 0.74 -0.46 1.60 0.25 0.01 0.00 0.00 175.29 177.44 1ov8 n THR 33 N 4.83 0.00 -3.83 -0.19 -2.24 -1.26 -4.82 114.28 106.76 1ov8 n THR 33 Ca -0.15 -0.24 -0.13 0.00 -2.27 0.00 0.00 64.05 61.27 1ov8 n THR 33 Cb 0.47 0.61 -0.14 0.00 -2.10 0.00 0.00 70.33 69.18 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 -2.19 -0.08 0.14 3.42 1.04 -1.26 -0.30 113.70 114.47 1ov8 s SER 34 Ca 0.32 0.18 0.06 0.00 0.48 0.00 0.00 55.95 56.98 1ov8 s SER 34 Cb 0.20 0.16 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 1ov8 s SER 34 CO 0.40 -0.05 -0.13 -0.76 0.98 0.00 0.00 173.24 173.68 1ov8 s LEU 35 N 0.25 2.47 -0.04 2.42 1.43 -0.03 -4.94 118.68 120.24 1ov8 s LEU 35 Ca -0.02 -0.91 -0.01 0.00 -1.03 0.00 0.00 54.13 52.16 1ov8 s LEU 35 Cb -0.03 -0.51 0.03 0.00 0.03 0.00 0.00 46.19 45.71 1ov8 s LEU 35 CO -0.01 -0.20 0.03 -0.55 0.23 0.00 0.00 176.35 175.85 1ov8 s SER 36 N -2.82 0.98 0.03 2.29 0.15 -1.26 -0.50 113.70 112.55 1ov8 s SER 36 Ca 0.14 0.02 -0.03 0.00 0.70 0.00 0.00 55.95 56.78 1ov8 s SER 36 Cb -0.02 -0.21 -0.02 0.00 -1.71 0.00 0.00 66.02 64.06 1ov8 s SER 36 CO 0.03 -0.20 0.03 -0.76 1.20 0.00 0.00 173.24 173.54 1ov8 s LEU 37 N 1.79 2.06 0.46 3.45 1.43 -0.80 -4.98 118.68 122.09 1ov8 s LEU 37 Ca 0.01 -0.53 -0.22 0.00 -1.03 0.00 0.00 54.13 52.36 1ov8 s LEU 37 Cb -0.12 0.33 -0.08 0.00 0.03 0.00 0.00 46.19 46.35 1ov8 s LEU 37 CO -0.03 -0.40 1.11 -2.16 0.23 0.00 0.00 176.35 175.10 1ov8 s PRO 38 N -2.06 3.79 0.75 1.29 0.04 -1.26 -1.54 135.00 136.01 1ov8 s PRO 38 Ca -0.10 1.62 -0.12 0.00 0.04 0.00 0.00 61.00 62.44 1ov8 s PRO 38 Cb -0.05 -2.32 0.05 0.00 0.04 0.00 0.00 34.50 32.22 1ov8 s PRO 38 CO -0.03 -0.48 1.11 0.00 0.04 0.00 0.00 177.00 177.64 1ov8 s ALA 39 N -1.68 2.24 -1.31 8.56 0.00 0.76 -3.94 121.76 126.39 1ov8 s ALA 39 Ca 0.64 0.42 -0.12 0.00 0.00 0.00 0.00 51.96 52.90 1ov8 s ALA 39 Cb -0.24 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.58 1ov8 s ALA 39 CO 0.29 -1.72 0.23 -1.71 0.00 0.00 0.00 175.76 172.86 1ov8 n ASN 40 N -3.20 -0.85 -4.17 0.00 5.15 -1.08 -4.92 115.26 106.18 1ov8 n ASN 40 Ca 0.10 -1.19 -0.25 0.00 -0.60 0.00 0.00 54.58 52.64 1ov8 n ASN 40 Cb 0.52 -1.45 -0.16 0.00 -0.53 0.00 0.00 39.78 38.17 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 -4.04 1.43 -0.18 -0.44 2.01 -1.25 -4.87 115.64 108.29 1ov8 s THR 41 Ca 0.17 -0.76 -0.29 0.00 0.31 0.00 0.00 61.69 61.12 1ov8 s THR 41 Cb -0.10 -1.20 -0.00 0.00 0.01 0.00 0.00 72.50 71.22 1ov8 s THR 41 CO 0.91 0.41 1.06 -0.69 -0.69 0.00 0.00 174.62 175.61 1ov8 s VAL 42 N -0.32 4.65 0.03 3.82 1.01 -1.26 -1.26 120.40 127.07 1ov8 s VAL 42 Ca 0.05 1.97 0.04 0.00 0.00 0.00 0.00 61.98 64.04 1ov8 s VAL 42 Cb -0.08 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.01 1ov8 s VAL 42 CO -0.00 -0.12 -0.12 -0.69 0.00 0.00 0.00 175.10 174.17 1ov8 s VAL 43 N 2.84 0.93 -0.24 2.92 1.01 -0.11 -0.08 120.40 127.67 1ov8 s VAL 43 Ca 0.47 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 1ov8 s VAL 43 Cb -0.17 -0.86 -0.00 0.00 0.00 0.00 0.00 36.38 35.34 1ov8 s VAL 43 CO 0.11 -0.04 -0.01 -0.60 0.00 0.00 0.00 175.10 174.56 1ov8 s ARG 44 N -1.07 3.31 -0.24 2.72 3.52 -0.48 -1.30 118.95 125.41 1ov8 s ARG 44 Ca -0.00 -0.68 -0.13 0.00 -0.13 0.00 0.00 55.73 54.79 1ov8 s ARG 44 Cb -0.07 -3.11 -0.05 0.00 -1.56 0.00 0.00 34.95 30.16 1ov8 s ARG 44 CO 0.01 -0.26 0.25 -1.17 -0.81 0.00 0.00 175.30 173.32 1ov8 s LEU 45 N 1.48 4.11 -0.34 -0.88 2.96 -0.36 -1.25 118.68 124.40 1ov8 s LEU 45 Ca 0.05 0.23 -0.09 0.00 -0.22 0.00 0.00 54.13 54.09 1ov8 s LEU 45 Cb -0.15 -2.25 0.02 0.00 0.50 0.00 0.00 46.19 44.30 1ov8 s LEU 45 CO -0.02 -0.01 0.16 -1.81 -1.32 0.00 0.00 176.35 173.35 1ov8 s ASP 46 N 1.20 5.52 -0.36 3.68 1.01 0.06 -2.07 116.67 125.70 1ov8 s ASP 46 Ca 0.11 -0.88 -0.15 0.00 0.71 0.00 0.00 52.55 52.34 1ov8 s ASP 46 Cb -0.14 -1.97 -0.00 0.00 1.01 0.00 0.00 42.92 41.81 1ov8 s ASP 46 CO 0.07 -0.31 0.34 0.12 0.21 0.00 0.00 175.17 175.60 1ov8 s PHE 47 N 1.53 3.21 -0.36 4.23 5.36 0.13 -0.74 117.98 131.34 1ov8 s PHE 47 Ca 0.02 -0.18 -0.13 0.00 -0.96 0.00 0.00 56.93 55.68 1ov8 s PHE 47 Cb -0.18 -2.65 0.00 0.00 -0.34 0.00 0.00 43.02 39.84 1ov8 s PHE 47 CO 0.05 -0.47 0.24 0.08 -1.46 0.00 0.00 175.22 173.66 1ov8 s VAL 48 N 1.93 5.09 -1.01 3.12 1.01 0.07 -1.70 120.40 128.92 1ov8 s VAL 48 Ca 0.10 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 1ov8 s VAL 48 Cb -0.17 -3.70 0.26 0.00 0.00 0.00 0.00 36.38 32.76 1ov8 s VAL 48 CO 0.12 -0.12 0.98 0.21 0.00 0.00 0.00 175.10 176.28 1ov8 s ASN 49 N 1.67 6.98 -0.23 3.32 2.47 0.15 -2.33 114.94 126.99 1ov8 s ASN 49 Ca 0.05 -3.39 -0.05 0.00 0.42 0.00 0.00 52.86 49.89 1ov8 s ASN 49 Cb -0.18 -2.16 -0.02 0.00 -1.45 0.00 0.00 41.25 37.44 1ov8 s ASN 49 CO 0.09 -0.34 0.01 -1.10 -3.72 0.00 0.00 177.10 172.04 1ov8 s GLN 50 N -0.92 3.54 0.12 0.43 -1.52 -1.26 0.30 119.66 120.34 1ov8 s GLN 50 Ca 0.27 -0.54 -0.14 0.00 -1.95 0.00 0.00 55.36 53.00 1ov8 s GLN 50 Cb -0.10 -3.15 0.02 0.00 -0.22 0.00 0.00 33.01 29.57 1ov8 s GLN 50 CO -0.09 -0.14 0.35 0.54 -0.25 0.00 0.00 175.29 175.70 1ov8 s ASN 51 N 1.42 -0.13 0.00 5.90 2.20 -1.26 -4.34 114.94 118.72 1ov8 s ASN 51 Ca 0.05 -0.44 0.20 0.00 -0.94 0.00 0.00 52.86 51.73 1ov8 s ASN 51 Cb -0.15 0.44 0.54 0.00 -2.00 0.00 0.00 41.25 40.09 1ov8 s ASN 51 CO 0.01 -0.83 1.46 0.59 -2.94 0.00 0.00 177.10 175.38 1ov8 n ASN 52 N -0.19 3.26 -0.00 3.54 3.02 0.16 -4.14 115.26 120.91 1ov8 n ASN 52 Ca -0.15 -1.98 0.09 0.00 -0.03 0.00 0.00 54.58 52.50 1ov8 n ASN 52 Cb 0.63 -0.38 -0.11 0.00 -0.61 0.00 0.00 39.78 39.32 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 1.29 0.84 -0.80 3.41 4.77 -1.26 -4.97 117.00 120.28 1ov8 n LEU 53 Ca 0.20 -0.48 -0.09 0.00 -0.03 0.00 0.00 56.01 55.61 1ov8 n LEU 53 Cb 0.52 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 1ov8 n LEU 53 CO 0.14 0.21 -0.10 0.61 -1.33 0.00 0.00 177.39 176.93 1ov8 n GLY 54 N 1.44 0.78 3.90 -0.72 0.00 -1.26 -5.01 105.19 104.31 1ov8 n GLY 54 Ca 0.03 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.37 5.26 0.40 1.61 0.11 -1.26 -4.60 120.40 119.55 1ov8 s VAL 55 Ca 0.00 -0.43 -0.19 0.00 -2.93 0.00 0.00 61.98 58.43 1ov8 s VAL 55 Cb 0.00 -3.56 -0.10 0.00 -1.53 0.00 0.00 36.38 31.19 1ov8 s VAL 55 CO 0.00 0.15 0.89 -1.10 -3.33 0.00 0.00 175.10 171.71 1ov8 s GLN 56 N -2.46 4.14 0.06 1.54 -0.21 -1.26 -3.23 119.66 118.24 1ov8 s GLN 56 Ca 0.34 0.97 -0.15 0.00 0.02 0.00 0.00 55.36 56.54 1ov8 s GLN 56 Cb -0.13 -2.25 0.03 0.00 1.00 0.00 0.00 33.01 31.66 1ov8 s GLN 56 CO 0.27 0.01 0.35 -1.01 -2.12 0.00 0.00 175.29 172.78 1ov8 s HIS 57 N -2.15 -0.15 0.33 0.91 3.76 -0.55 -4.91 115.29 112.52 1ov8 s HIS 57 Ca 0.59 0.01 0.07 0.00 -0.15 0.00 0.00 55.06 55.58 1ov8 s HIS 57 Cb -0.09 0.15 -0.03 0.00 1.11 0.00 0.00 32.58 33.72 1ov8 s HIS 57 CO 0.16 -0.56 0.24 0.27 -0.85 0.00 0.00 174.74 174.00 1ov8 n ASN 58 N 0.40 -0.32 -3.87 1.40 6.94 -1.26 -0.89 115.26 117.65 1ov8 n ASN 58 Ca -0.18 -3.07 -0.24 0.00 -0.02 0.00 0.00 54.58 51.06 1ov8 n ASN 58 Cb 0.60 1.47 -0.17 0.00 -2.36 0.00 0.00 39.78 39.33 1ov8 n ASN 58 CO 0.00 0.00 0.00 0.86 -1.03 0.00 0.00 177.26 177.09 1ov8 s TRP 59 N -3.23 1.10 -0.10 -2.53 -0.00 -1.26 -4.28 118.94 108.63 1ov8 s TRP 59 Ca 0.34 -0.45 -0.01 0.00 -0.00 0.00 0.00 56.10 55.99 1ov8 s TRP 59 Cb 0.02 -0.98 0.03 0.00 -0.00 0.00 0.00 33.47 32.53 1ov8 s TRP 59 CO 0.24 -0.37 -0.03 0.08 -0.00 0.00 0.00 176.95 176.87 1ov8 s VAL 60 N 1.54 0.72 -0.18 5.86 1.01 0.86 -1.51 120.40 128.70 1ov8 s VAL 60 Ca 0.00 -0.15 -0.18 0.00 0.00 0.00 0.00 61.98 61.65 1ov8 s VAL 60 Cb -0.13 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1ov8 s VAL 60 CO -0.05 0.27 0.48 -0.22 0.00 0.00 0.00 175.10 175.59 1ov8 s LEU 61 N 1.83 4.19 0.08 3.92 2.96 0.34 -0.13 118.68 131.86 1ov8 s LEU 61 Ca 0.04 0.68 0.05 0.00 -0.22 0.00 0.00 54.13 54.69 1ov8 s LEU 61 Cb -0.13 -2.66 -0.04 0.00 0.50 0.00 0.00 46.19 43.86 1ov8 s LEU 61 CO -0.07 -0.11 -0.06 0.68 -1.32 0.00 0.00 176.35 175.47 1ov8 s VAL 62 N 1.28 3.65 -1.39 1.68 -7.23 -0.10 -0.92 120.40 117.37 1ov8 s VAL 62 Ca 0.24 -1.06 -0.12 0.00 -1.81 0.00 0.00 61.98 59.23 1ov8 s VAL 62 Cb -0.15 -2.69 -0.05 0.00 0.56 0.00 0.00 36.38 34.05 1ov8 s VAL 62 CO 0.09 0.18 2.49 -3.20 -0.31 0.00 0.00 175.10 174.36 1ov8 n ASN 63 N 0.86 5.92 0.00 4.85 4.05 0.18 -4.01 115.26 127.11 1ov8 n ASN 63 Ca -0.13 -2.64 0.00 0.00 0.45 0.00 0.00 54.58 52.26 1ov8 n ASN 63 Cb 0.52 -1.49 0.00 0.00 1.23 0.00 0.00 39.78 40.05 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 3.88 -0.02 0.00 8.20 0.00 -1.26 -4.97 105.19 111.03 1ov8 n GLY 64 Ca 0.62 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 6.78 0.32 -0.02 0.00 -1.26 -2.30 105.19 108.71 1ov8 n GLY 65 Ca 0.00 -2.01 0.19 0.00 0.00 0.00 0.00 46.02 44.20 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 0.05 -0.42 1.61 3.32 -1.99 0.55 116.42 119.53 1ov8 h ASP 66 Ca 0.00 0.23 -0.09 0.00 0.02 0.00 0.00 57.03 57.18 1ov8 h ASP 66 Cb 0.00 0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1ov8 h ASP 66 CO 0.00 -0.24 -0.09 0.44 -1.72 0.00 0.00 179.24 177.62 1ov8 h ASP 67 N 0.15 0.82 -0.14 6.45 3.32 -2.00 -0.89 116.42 124.12 1ov8 h ASP 67 Ca 0.65 -0.36 -0.12 0.00 0.02 0.00 0.00 57.03 57.22 1ov8 h ASP 67 Cb 1.44 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 1ov8 h ASP 67 CO -0.72 0.98 -0.32 0.58 -1.72 0.00 0.00 179.24 178.03 1ov8 h VAL 68 N 0.64 1.28 -0.77 -1.35 2.07 -1.19 -2.86 116.25 114.07 1ov8 h VAL 68 Ca 0.11 -1.45 0.02 0.00 0.82 0.00 0.00 66.70 66.20 1ov8 h VAL 68 Cb 0.62 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 1ov8 h VAL 68 CO 0.04 0.47 0.51 0.00 0.02 0.00 0.00 177.57 178.61 1ov8 h ALA 69 N 1.10 1.49 -0.55 1.67 0.00 0.34 -1.93 119.26 121.39 1ov8 h ALA 69 Ca 0.06 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1ov8 h ALA 69 Cb 0.82 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1ov8 h ALA 69 CO 0.07 0.45 -0.09 0.00 0.00 0.00 0.00 179.25 179.68 1ov8 h ALA 70 N 1.53 0.75 -0.22 0.00 0.00 -0.95 0.90 119.26 121.28 1ov8 h ALA 70 Ca 0.30 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1ov8 h ALA 70 Cb -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1ov8 h ALA 70 CO -0.08 0.65 0.08 0.00 0.00 0.00 0.00 179.25 179.90 1ov8 h ALA 71 N 0.93 0.29 -0.14 0.00 0.00 -1.27 0.22 119.26 119.30 1ov8 h ALA 71 Ca 0.14 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ov8 h ALA 71 Cb 0.65 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1ov8 h ALA 71 CO 0.05 -0.10 0.08 0.28 0.00 0.00 0.00 179.25 179.55 1ov8 h VAL 72 N 0.19 1.08 -0.83 0.00 2.07 -1.25 -0.34 116.25 117.18 1ov8 h VAL 72 Ca 0.07 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.39 1ov8 h VAL 72 Cb 0.21 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1ov8 h VAL 72 CO -0.00 0.08 0.55 -1.13 0.02 0.00 0.00 177.57 177.08 1ov8 h ASN 73 N 0.14 0.94 -0.46 0.57 -1.24 -0.61 0.31 115.58 115.22 1ov8 h ASN 73 Ca 0.05 -0.02 -0.10 0.00 0.71 0.00 0.00 56.30 56.94 1ov8 h ASN 73 Cb 0.05 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 38.86 1ov8 h ASN 73 CO -0.01 0.67 -0.11 0.74 -1.29 0.00 0.00 177.43 177.44 1ov8 h THR 74 N 1.10 1.27 -0.53 -3.57 2.02 -0.28 0.24 112.91 113.16 1ov8 h THR 74 Ca 0.31 -1.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.24 1ov8 h THR 74 Cb -0.09 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1ov8 h THR 74 CO -0.07 0.42 0.21 0.00 0.37 0.00 0.00 175.52 176.45 1ov8 h ALA 75 N 0.88 1.39 -0.30 6.16 0.00 -0.12 -1.99 119.26 125.28 1ov8 h ALA 75 Ca 0.12 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1ov8 h ALA 75 Cb 0.65 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ov8 h ALA 75 CO 0.04 0.47 -0.41 0.00 0.00 0.00 0.00 179.25 179.35 1ov8 h ALA 76 N 1.49 0.46 -0.56 0.00 0.00 -0.58 -3.01 119.26 117.05 1ov8 h ALA 76 Ca 0.18 -0.46 0.16 0.00 0.00 0.00 0.00 54.91 54.79 1ov8 h ALA 76 Cb 0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1ov8 h ALA 76 CO -0.02 0.58 0.42 0.37 0.00 0.00 0.00 179.25 180.60 1ov8 h GLN 77 N 0.58 0.00 -1.02 0.00 4.15 0.22 -0.64 115.11 118.41 1ov8 h GLN 77 Ca 0.03 0.00 -0.46 0.00 0.77 0.00 0.00 58.65 58.99 1ov8 h GLN 77 Cb 1.01 0.00 -0.26 0.00 0.21 0.00 0.00 27.48 28.44 1ov8 h GLN 77 CO 0.10 0.00 0.58 0.09 -1.93 0.00 0.00 178.83 177.67 1ov8 n ASN 78 N -4.25 4.09 -2.67 -0.69 3.02 -1.06 -4.43 115.26 109.27 1ov8 n ASN 78 Ca 0.10 -3.40 -0.13 0.00 -0.03 0.00 0.00 54.58 51.13 1ov8 n ASN 78 Cb 0.65 -0.82 0.02 0.00 -0.61 0.00 0.00 39.78 39.03 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 -0.86 2.03 0.26 6.41 5.15 -0.25 -4.90 115.26 123.10 1ov8 n ASN 79 Ca 0.51 -2.93 0.10 0.00 -0.60 0.00 0.00 54.58 51.66 1ov8 n ASN 79 Cb 1.40 -0.53 0.69 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 2.92 1.77 0.00 5.20 0.00 -1.78 -1.62 119.26 125.76 1ov8 h ALA 80 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ov8 h ALA 80 Cb 1.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1ov8 h ALA 80 CO 0.57 0.06 0.00 -0.44 0.00 0.00 0.00 179.25 179.44 1ov8 h ASP 81 N 0.00 0.00 -0.12 0.00 3.32 -1.97 -1.80 116.42 115.86 1ov8 h ASP 81 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1ov8 h ASP 81 Cb 0.09 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1ov8 h ASP 81 CO 0.01 0.00 -0.14 0.00 -1.72 0.00 0.00 179.24 177.39 1ov8 n ALA 82 N -1.96 3.13 -3.00 3.45 0.00 -0.91 -4.77 120.51 116.44 1ov8 n ALA 82 Ca -0.00 -2.83 -0.20 0.00 0.00 0.00 0.00 53.44 50.41 1ov8 n ALA 82 Cb 0.19 -0.51 0.04 0.00 0.00 0.00 0.00 19.45 19.17 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 -1.12 -2.65 -2.03 0.00 4.77 -0.68 -3.34 117.00 111.94 1ov8 n LEU 83 Ca 0.21 -0.28 -0.18 0.00 -0.03 0.00 0.00 56.01 55.73 1ov8 n LEU 83 Cb 0.78 -2.67 -0.01 0.00 -2.33 0.00 0.00 43.42 39.19 1ov8 n LEU 83 CO 0.06 0.26 -0.23 0.49 -1.33 0.00 0.00 177.39 176.64 1ov8 n PHE 84 N -4.41 -0.81 -2.16 -1.77 3.72 -0.66 -4.75 117.46 106.62 1ov8 n PHE 84 Ca -0.08 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.02 1ov8 n PHE 84 Cb 0.60 -3.56 0.01 0.00 -0.94 0.00 0.00 39.48 35.58 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 -2.89 4.71 0.22 -4.37 -7.23 -1.21 -4.40 120.40 105.22 1ov8 s VAL 85 Ca 0.00 0.59 -0.32 0.00 -1.81 0.00 0.00 61.98 60.44 1ov8 s VAL 85 Cb 0.00 -3.84 -0.13 0.00 0.56 0.00 0.00 36.38 32.96 1ov8 s VAL 85 CO 0.00 -1.00 1.49 -2.65 -0.31 0.00 0.00 175.10 172.63 1ov8 n PRO 86 N -2.58 2.16 -1.27 4.82 -0.02 -1.26 -4.64 135.00 132.23 1ov8 n PRO 86 Ca 0.04 0.77 -0.34 0.00 -2.02 0.00 0.00 63.50 61.95 1ov8 n PRO 86 Cb 0.55 -2.48 0.11 0.00 -0.02 0.00 0.00 33.50 31.65 1ov8 n PRO 86 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1ov8 s PRO 87 N 0.02 1.86 0.38 0.52 0.02 -1.26 -4.93 135.00 131.61 1ov8 s PRO 87 Ca 0.71 1.82 -0.28 0.00 0.02 0.00 0.00 61.00 63.27 1ov8 s PRO 87 Cb -0.64 -1.79 -0.11 0.00 0.02 0.00 0.00 34.50 31.98 1ov8 s PRO 87 CO 0.45 -2.06 1.46 -2.14 -0.33 0.00 0.00 177.00 174.38 1ov8 s PRO 88 N -3.97 4.09 -1.22 5.54 0.02 -1.26 -2.21 135.00 135.99 1ov8 s PRO 88 Ca 0.75 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.29 1ov8 s PRO 88 Cb -0.30 -2.94 0.00 0.00 0.02 0.00 0.00 34.50 31.27 1ov8 s PRO 88 CO 0.48 -0.53 0.00 -0.25 -0.33 0.00 0.00 177.00 176.37 1ov8 n ASP 89 N 0.42 -4.33 -4.67 2.53 8.00 -1.26 -4.97 116.55 112.27 1ov8 n ASP 89 Ca 0.01 0.25 -0.42 0.00 0.71 0.00 0.00 54.79 55.34 1ov8 n ASP 89 Cb 0.40 -2.97 -0.03 0.00 -0.02 0.00 0.00 41.12 38.50 1ov8 n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ov8 s THR 90 N -2.46 3.08 0.26 -3.53 2.01 -0.94 -4.95 115.64 109.12 1ov8 s THR 90 Ca 0.00 0.31 -0.31 0.00 0.31 0.00 0.00 61.69 62.00 1ov8 s THR 90 Cb 0.00 -3.20 -0.12 0.00 0.01 0.00 0.00 72.50 69.19 1ov8 s THR 90 CO 0.00 -0.02 1.65 -2.65 -0.69 0.00 0.00 174.62 172.91 1ov8 n PRO 91 N 6.67 2.75 -1.22 4.92 -0.02 -1.26 -2.87 135.00 143.96 1ov8 n PRO 91 Ca 0.18 0.98 -0.08 0.00 -2.02 0.00 0.00 63.50 62.56 1ov8 n PRO 91 Cb 0.41 -2.79 -0.03 0.00 -0.02 0.00 0.00 33.50 31.06 1ov8 n PRO 91 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ov8 n ASN 92 N 2.82 -4.65 -4.39 2.55 5.03 -1.26 -4.74 115.26 110.62 1ov8 n ASN 92 Ca 0.11 0.19 -0.44 0.00 0.87 0.00 0.00 54.58 55.31 1ov8 n ASN 92 Cb 0.36 -2.82 -0.06 0.00 -1.02 0.00 0.00 39.78 36.24 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 -2.04 3.49 0.00 5.41 0.00 -1.14 0.50 121.76 127.99 1ov8 s ALA 93 Ca 0.00 -2.08 -0.21 0.00 0.00 0.00 0.00 51.96 49.67 1ov8 s ALA 93 Cb 0.00 -3.27 -0.19 0.00 0.00 0.00 0.00 23.12 19.66 1ov8 s ALA 93 CO 0.00 -1.96 1.19 -0.07 0.00 0.00 0.00 175.76 174.91 1ov8 h LEU 94 N 9.28 0.37 -7.13 0.00 3.38 -1.36 -2.22 115.31 117.63 1ov8 h LEU 94 Ca -0.29 -0.64 -0.07 0.00 0.09 0.00 0.00 57.88 56.97 1ov8 h LEU 94 Cb 1.10 -0.11 -0.20 0.00 0.09 0.00 0.00 40.66 41.54 1ov8 h LEU 94 CO 0.97 0.94 0.05 0.00 0.09 0.00 0.00 178.44 180.48 1ov8 s ALA 95 N -3.68 -1.51 -0.02 1.53 0.00 -1.17 -1.23 121.76 115.68 1ov8 s ALA 95 Ca -0.14 1.25 -0.15 0.00 0.00 0.00 0.00 51.96 52.91 1ov8 s ALA 95 Cb 0.03 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.90 1ov8 s ALA 95 CO 0.77 -0.33 0.32 1.67 0.00 0.00 0.00 175.76 178.19 1ov8 s TRP 96 N -0.78 -0.21 0.71 0.00 -2.14 0.99 -0.51 118.94 117.00 1ov8 s TRP 96 Ca -0.08 0.33 -0.09 0.00 2.66 0.00 0.00 56.10 58.91 1ov8 s TRP 96 Cb -0.02 0.11 0.04 0.00 -3.10 0.00 0.00 33.47 30.50 1ov8 s TRP 96 CO 0.06 -0.39 1.05 0.95 -2.66 0.00 0.00 176.95 175.97 1ov8 s THR 97 N -1.25 2.85 0.95 0.66 -4.23 -0.57 -1.85 115.64 112.19 1ov8 s THR 97 Ca -0.13 0.07 -0.12 0.00 -1.18 0.00 0.00 61.69 60.33 1ov8 s THR 97 Cb -0.05 -3.23 0.16 0.00 1.34 0.00 0.00 72.50 70.72 1ov8 s THR 97 CO 0.04 -0.28 1.09 0.00 -0.54 0.00 0.00 174.62 174.93 1ov8 s ALA 98 N -3.30 1.23 -0.16 3.99 0.00 -1.26 -4.54 121.76 117.72 1ov8 s ALA 98 Ca 0.59 -0.15 -0.28 0.00 0.00 0.00 0.00 51.96 52.11 1ov8 s ALA 98 Cb -0.11 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 1ov8 s ALA 98 CO 0.48 -2.61 0.97 1.41 0.00 0.00 0.00 175.76 176.01 1ov8 s MET 99 N -4.91 4.34 -0.11 0.00 1.75 -1.26 -4.59 119.30 114.52 1ov8 s MET 99 Ca 0.64 1.28 -0.02 0.00 -1.25 0.00 0.00 55.69 56.35 1ov8 s MET 99 Cb -0.19 -3.58 -0.03 0.00 2.84 0.00 0.00 34.83 33.87 1ov8 s MET 99 CO 0.58 -0.41 -0.04 -0.51 -0.65 0.00 0.00 175.02 173.99 1ov8 s LEU 100 N 2.39 3.31 0.69 4.11 1.43 -0.07 -4.93 118.68 125.61 1ov8 s LEU 100 Ca 0.44 -0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.40 1ov8 s LEU 100 Cb -0.17 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.30 1ov8 s LEU 100 CO 0.13 0.29 1.07 0.20 0.23 0.00 0.00 176.35 178.27 1ov8 s ASN 101 N -0.35 5.19 0.16 2.29 0.01 -1.26 -1.49 114.94 119.49 1ov8 s ASN 101 Ca 0.06 1.76 -0.34 0.00 -0.71 0.00 0.00 52.86 53.63 1ov8 s ASN 101 Cb -0.12 -2.52 -0.15 0.00 0.41 0.00 0.00 41.25 38.87 1ov8 s ASN 101 CO 0.02 -1.57 1.42 0.00 -1.51 0.00 0.00 177.10 175.46 1ov8 n ALA 102 N -2.93 0.46 -0.00 0.60 0.00 -1.20 -1.04 120.51 116.39 1ov8 n ALA 102 Ca 0.09 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1ov8 n ALA 102 Cb 0.53 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 2.71 0.52 3.97 0.00 0.00 0.15 -4.98 105.19 107.57 1ov8 n GLY 103 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.83 3.32 0.00 1.61 2.02 -0.21 -4.92 118.70 119.70 1ov8 s GLU 104 Ca 0.00 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.26 1ov8 s GLU 104 Cb 0.00 -2.80 -0.00 0.00 0.10 0.00 0.00 34.13 31.43 1ov8 s GLU 104 CO 0.00 0.20 -0.02 -1.12 0.02 0.00 0.00 175.26 174.34 1ov8 s SER 105 N -4.07 0.21 0.06 -0.19 0.01 -1.26 -0.67 113.70 107.78 1ov8 s SER 105 Ca 0.40 -0.08 -0.14 0.00 1.31 0.00 0.00 55.95 57.44 1ov8 s SER 105 Cb -0.09 -0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.15 1ov8 s SER 105 CO 0.32 -0.01 0.31 -0.83 0.41 0.00 0.00 173.24 173.44 1ov8 s GLY 106 N -0.18 -0.13 0.32 3.44 0.00 -0.69 -5.01 107.32 105.08 1ov8 s GLY 106 Ca -0.01 -0.04 0.05 0.00 0.00 0.00 0.00 44.72 44.73 1ov8 s GLY 106 CO -0.00 -0.26 0.01 -0.56 0.00 0.00 0.00 173.10 172.30 1ov8 s SER 107 N -2.20 2.71 -0.06 1.64 0.01 -1.26 -0.70 113.70 113.84 1ov8 s SER 107 Ca -0.03 -1.31 -0.05 0.00 1.31 0.00 0.00 55.95 55.86 1ov8 s SER 107 Cb -0.00 -0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.10 1ov8 s SER 107 CO -0.05 -0.50 0.16 0.54 0.41 0.00 0.00 173.24 173.81 1ov8 s VAL 108 N -3.12 -0.02 -0.18 3.43 0.11 -0.88 -4.69 120.40 115.06 1ov8 s VAL 108 Ca 0.34 0.06 -0.01 0.00 -2.93 0.00 0.00 61.98 59.44 1ov8 s VAL 108 Cb 0.07 -0.24 -0.00 0.00 -1.53 0.00 0.00 36.38 34.68 1ov8 s VAL 108 CO 0.15 0.02 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.93 1ov8 s THR 109 N 0.45 2.85 0.08 5.04 2.01 -1.26 -1.22 115.64 123.59 1ov8 s THR 109 Ca -0.03 -0.69 -0.14 0.00 0.31 0.00 0.00 61.69 61.13 1ov8 s THR 109 Cb -0.04 -2.24 0.02 0.00 0.01 0.00 0.00 72.50 70.25 1ov8 s THR 109 CO -0.02 0.49 0.34 0.72 -0.69 0.00 0.00 174.62 175.46 1ov8 s PHE 110 N 1.05 -0.13 -0.14 4.92 -0.71 -0.42 -1.76 117.98 120.79 1ov8 s PHE 110 Ca -0.01 -0.10 -0.25 0.00 -1.04 0.00 0.00 56.93 55.54 1ov8 s PHE 110 Cb -0.15 0.15 -0.02 0.00 -1.21 0.00 0.00 43.02 41.79 1ov8 s PHE 110 CO -0.03 -0.59 0.79 0.50 -1.34 0.00 0.00 175.22 174.56 1ov8 s ARG 111 N -3.16 4.34 0.68 1.99 3.52 0.17 -0.94 118.95 125.56 1ov8 s ARG 111 Ca -0.01 0.97 -0.17 0.00 -0.13 0.00 0.00 55.73 56.39 1ov8 s ARG 111 Cb 0.01 -3.54 0.01 0.00 -1.56 0.00 0.00 34.95 29.87 1ov8 s ARG 111 CO -0.07 -0.20 1.26 0.95 -0.81 0.00 0.00 175.30 176.42 1ov8 s THR 112 N 1.72 2.13 0.95 4.11 -4.23 -0.39 -4.82 115.64 115.11 1ov8 s THR 112 Ca 0.38 0.08 -0.16 0.00 -1.18 0.00 0.00 61.69 60.81 1ov8 s THR 112 Cb -0.17 -2.88 0.22 0.00 1.34 0.00 0.00 72.50 71.01 1ov8 s THR 112 CO 0.15 -0.03 1.26 -0.81 -0.54 0.00 0.00 174.62 174.65 1ov8 n PRO 113 N -2.24 -1.33 -0.66 3.99 -0.04 -1.26 -2.63 135.00 130.82 1ov8 n PRO 113 Ca 0.15 -1.95 -0.31 0.00 -0.04 0.00 0.00 63.50 61.35 1ov8 n PRO 113 Cb 0.49 -1.32 0.18 0.00 -0.04 0.00 0.00 33.50 32.80 1ov8 n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ov8 n ALA 114 N -3.87 -2.27 -1.71 0.55 0.00 -1.26 -3.16 120.51 108.79 1ov8 n ALA 114 Ca -0.21 -0.82 -0.39 0.00 0.00 0.00 0.00 53.44 52.02 1ov8 n ALA 114 Cb 0.55 -1.95 0.04 0.00 0.00 0.00 0.00 19.45 18.09 1ov8 n ALA 114 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ov8 n PRO 115 N -3.42 1.62 -3.34 0.00 -0.02 -1.26 -4.85 135.00 123.72 1ov8 n PRO 115 Ca 0.07 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1ov8 n PRO 115 Cb 0.54 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 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 0.87 -1.14 3.39 -1.23 0.00 -0.29 -4.96 105.19 101.82 1ov8 n GLY 116 Ca 0.10 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.73 2.87 0.00 2.61 2.01 -1.26 -1.07 115.64 118.07 1ov8 s THR 117 Ca 0.00 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.25 1ov8 s THR 117 Cb 0.00 -2.15 -0.00 0.00 0.01 0.00 0.00 72.50 70.35 1ov8 s THR 117 CO 0.00 0.56 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.16 1ov8 s TYR 118 N -0.11 0.16 0.13 4.92 1.51 0.18 -4.58 117.35 119.56 1ov8 s TYR 118 Ca -0.02 -0.12 -0.15 0.00 -1.01 0.00 0.00 57.07 55.77 1ov8 s TYR 118 Cb -0.14 -0.10 -0.07 0.00 -0.11 0.00 0.00 41.96 41.54 1ov8 s TYR 118 CO 0.04 -0.03 0.55 -0.51 -1.11 0.00 0.00 175.55 174.49 1ov8 s LEU 119 N -0.30 4.38 -0.01 -1.29 1.43 -0.97 0.15 118.68 122.06 1ov8 s LEU 119 Ca -0.02 1.12 0.08 0.00 -1.03 0.00 0.00 54.13 54.27 1ov8 s LEU 119 Cb -0.02 -3.19 -0.02 0.00 0.03 0.00 0.00 46.19 42.99 1ov8 s LEU 119 CO -0.00 0.14 -0.24 -0.72 0.23 0.00 0.00 176.35 175.76 1ov8 s TYR 120 N -1.39 2.39 0.25 0.29 -0.85 0.01 -0.92 117.35 117.13 1ov8 s TYR 120 Ca 0.36 -0.39 0.02 0.00 -0.52 0.00 0.00 57.07 56.54 1ov8 s TYR 120 Cb -0.16 -1.49 -0.04 0.00 0.38 0.00 0.00 41.96 40.65 1ov8 s TYR 120 CO 0.19 0.04 0.18 0.96 -1.52 0.00 0.00 175.55 175.40 1ov8 s ILE 121 N -0.68 0.06 -0.16 -3.49 -4.36 0.82 -0.90 121.20 112.49 1ov8 s ILE 121 Ca 0.11 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.46 1ov8 s ILE 121 Cb -0.10 -2.51 -0.03 0.00 1.25 0.00 0.00 42.46 41.07 1ov8 s ILE 121 CO 0.00 0.00 -0.02 0.00 0.24 0.00 0.00 174.94 175.16 1ov8 n THR 123 N 3.57 0.40 -1.90 0.00 -2.24 -1.26 -3.25 114.28 109.59 1ov8 n THR 123 Ca -0.17 -0.56 -0.41 0.00 -2.27 0.00 0.00 64.05 60.64 1ov8 n THR 123 Cb 0.52 0.61 -0.01 0.00 -2.10 0.00 0.00 70.33 69.35 1ov8 n THR 123 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1ov8 s PHE 124 N -1.60 2.78 -0.14 4.78 5.36 -1.26 -4.64 117.98 123.26 1ov8 s PHE 124 Ca 0.35 1.13 -0.41 0.00 -0.96 0.00 0.00 56.93 57.04 1ov8 s PHE 124 Cb 0.19 -3.93 -0.18 0.00 -0.34 0.00 0.00 43.02 38.77 1ov8 s PHE 124 CO 0.28 -2.81 1.40 -2.30 -1.46 0.00 0.00 175.22 170.33 1ov8 n PRO 125 N 1.13 0.57 0.00 10.12 -0.02 -1.26 -1.47 135.00 144.06 1ov8 n PRO 125 Ca 0.03 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1ov8 n PRO 125 Cb 0.40 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 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 2.87 2.80 0.19 -1.23 0.00 -1.26 -4.91 105.19 103.65 1ov8 n GLY 126 Ca 0.23 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.10 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 0.79 0.24 1.61 3.86 -1.52 -1.71 115.15 118.41 1ov8 h HIS 127 Ca 0.00 -0.32 -0.01 0.00 -1.16 0.00 0.00 60.37 58.88 1ov8 h HIS 127 Cb 0.00 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.33 1ov8 h HIS 127 CO 0.00 1.10 -0.15 -0.92 0.86 0.00 0.00 177.93 178.83 1ov8 h TYR 128 N 0.26 -0.38 -0.62 2.45 3.20 -1.75 0.13 116.97 120.26 1ov8 h TYR 128 Ca -0.02 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.95 1ov8 h TYR 128 Cb 1.12 0.13 -0.04 0.00 1.54 0.00 0.00 36.73 39.49 1ov8 h TYR 128 CO 0.10 -0.23 0.41 -0.07 -1.64 0.00 0.00 178.16 176.74 1ov8 h LEU 129 N -0.37 0.36 -0.05 2.82 3.38 -1.90 0.50 115.31 120.04 1ov8 h LEU 129 Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ov8 h LEU 129 Cb 0.31 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1ov8 h LEU 129 CO 0.02 0.21 0.00 0.00 0.09 0.00 0.00 178.44 178.77 1ov8 n ALA 130 N -2.52 1.83 0.00 1.53 0.00 -0.65 -4.88 120.51 115.82 1ov8 n ALA 130 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1ov8 n ALA 130 Cb 0.40 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 0.36 1.07 3.55 0.00 0.00 0.17 -4.99 105.19 105.36 1ov8 n GLY 131 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.48 3.51 0.24 1.61 0.00 0.38 -4.87 119.30 119.69 1ov8 s MET 132 Ca 0.00 -0.97 -0.22 0.00 0.00 0.00 0.00 55.69 54.50 1ov8 s MET 132 Cb 0.00 -5.12 0.03 0.00 0.00 0.00 0.00 34.83 29.74 1ov8 s MET 132 CO 0.00 -2.19 0.80 -1.59 0.00 0.00 0.00 175.02 172.04 1ov8 s LYS 133 N 5.06 1.61 0.27 4.11 -2.85 -1.26 -2.79 119.74 123.90 1ov8 s LYS 133 Ca 0.43 -0.90 -0.21 0.00 -1.00 0.00 0.00 55.97 54.30 1ov8 s LYS 133 Cb -0.02 0.55 0.04 0.00 -2.06 0.00 0.00 37.83 36.34 1ov8 s LYS 133 CO -0.05 -0.74 0.81 0.20 0.10 0.00 0.00 175.35 175.67 1ov8 s GLY 134 N -2.93 0.00 -0.14 0.59 0.00 -0.08 -4.74 107.32 100.03 1ov8 s GLY 134 Ca 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 44.72 44.51 1ov8 s GLY 134 CO 0.06 0.05 -0.15 -1.59 0.00 0.00 0.00 173.10 171.47 1ov8 s THR 135 N -3.30 2.83 -0.28 0.90 2.01 0.58 -0.81 115.64 117.58 1ov8 s THR 135 Ca 0.13 -0.73 -0.12 0.00 0.31 0.00 0.00 61.69 61.28 1ov8 s THR 135 Cb -0.05 -2.18 -0.05 0.00 0.01 0.00 0.00 72.50 70.23 1ov8 s THR 135 CO 0.07 0.52 0.24 -0.22 -0.69 0.00 0.00 174.62 174.54 1ov8 s LEU 136 N 0.52 4.04 -0.32 4.42 2.96 0.39 -0.85 118.68 129.84 1ov8 s LEU 136 Ca -0.10 0.05 -0.12 0.00 -0.22 0.00 0.00 54.13 53.75 1ov8 s LEU 136 Cb -0.16 -2.20 -0.02 0.00 0.50 0.00 0.00 46.19 44.31 1ov8 s LEU 136 CO 0.04 -0.09 0.21 -0.89 -1.32 0.00 0.00 176.35 174.30 1ov8 s THR 137 N 1.84 5.16 -0.33 3.68 2.01 0.34 -0.64 115.64 127.69 1ov8 s THR 137 Ca 0.09 -0.16 -0.14 0.00 0.31 0.00 0.00 61.69 61.79 1ov8 s THR 137 Cb -0.16 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 1ov8 s THR 137 CO 0.11 0.07 0.29 -0.69 -0.69 0.00 0.00 174.62 173.71 1ov8 s VAL 138 N 1.71 5.23 0.73 3.82 1.01 -0.23 -1.91 120.40 130.76 1ov8 s VAL 138 Ca 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 1ov8 s VAL 138 Cb -0.17 -3.75 0.11 0.00 0.00 0.00 0.00 36.38 32.57 1ov8 s VAL 138 CO 0.10 -0.02 1.02 0.42 0.00 0.00 0.00 175.10 176.61 1ov8 s THR 139 N 1.87 2.23 -2.00 3.92 -4.23 -0.59 -1.14 115.64 115.70 1ov8 s THR 139 Ca 0.09 -0.43 0.08 0.00 -1.18 0.00 0.00 61.69 60.25 1ov8 s THR 139 Cb -0.17 -2.80 0.22 0.00 1.34 0.00 0.00 72.50 71.09 1ov8 s THR 139 CO 0.11 0.00 0.92 -2.65 -0.54 0.00 0.00 174.62 172.46