#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 5.73 0.12 0.00 2.47 -1.26 -4.85 114.94 117.15 1ov8 s ASN 3 Ca 0.00 -0.56 -0.08 0.00 0.42 0.00 0.00 52.86 52.64 1ov8 s ASN 3 Cb 0.00 -2.55 -0.01 0.00 -1.45 0.00 0.00 41.25 37.24 1ov8 s ASN 3 CO 0.00 -2.15 0.22 0.00 -3.72 0.00 0.00 177.10 171.45 1ov8 s ALA 4 N 7.63 -0.09 0.96 1.71 0.00 -1.26 -4.79 121.76 125.93 1ov8 s ALA 4 Ca 0.56 -0.76 -0.12 0.00 0.00 0.00 0.00 51.96 51.64 1ov8 s ALA 4 Cb -0.07 0.65 0.17 0.00 0.00 0.00 0.00 23.12 23.87 1ov8 s ALA 4 CO 0.06 -0.56 1.09 -1.25 0.00 0.00 0.00 175.76 175.09 1ov8 s PRO 5 N -3.91 0.73 0.00 0.00 0.04 -1.26 -4.24 135.00 126.35 1ov8 s PRO 5 Ca 0.10 0.77 0.00 0.00 0.04 0.00 0.00 61.00 61.91 1ov8 s PRO 5 Cb 0.04 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.83 1ov8 s PRO 5 CO -0.06 -2.59 0.00 0.41 0.04 0.00 0.00 177.00 174.80 1ov8 n GLY 6 N -0.82 0.71 0.00 0.56 0.00 -0.41 -4.92 105.19 100.31 1ov8 n GLY 6 Ca 0.06 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 3.79 0.23 -0.02 0.00 -1.26 -0.54 105.19 107.40 1ov8 n GLY 7 Ca 0.00 -1.69 0.02 0.00 0.00 0.00 0.00 46.02 44.35 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 0.21 -0.45 1.61 4.64 -1.00 -3.04 113.55 115.51 1ov8 h SER 8 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1ov8 h SER 8 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1ov8 h SER 8 CO 0.00 0.40 0.00 0.59 -0.87 0.00 0.00 176.83 176.95 1ov8 n ASN 9 N -4.25 3.20 -4.74 4.97 4.13 -0.24 -4.97 115.26 113.36 1ov8 n ASN 9 Ca -0.01 -1.96 -0.42 0.00 1.68 0.00 0.00 54.58 53.88 1ov8 n ASN 9 Cb 0.29 -0.30 -0.02 0.00 -1.54 0.00 0.00 39.78 38.21 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 -1.41 2.36 0.04 2.41 1.01 -1.15 -0.55 120.40 123.11 1ov8 s VAL 10 Ca 0.39 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.66 1ov8 s VAL 10 Cb 0.22 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 1ov8 s VAL 10 CO 0.30 0.04 -0.04 0.68 0.00 0.00 0.00 175.10 176.08 1ov8 s VAL 11 N 0.35 0.26 -1.07 2.92 -7.23 -0.92 -4.86 120.40 109.84 1ov8 s VAL 11 Ca 0.65 -1.21 -0.06 0.00 -1.81 0.00 0.00 61.98 59.55 1ov8 s VAL 11 Cb -0.45 -0.71 0.29 0.00 0.56 0.00 0.00 36.38 36.07 1ov8 s VAL 11 CO 0.41 -0.61 1.28 0.59 -0.31 0.00 0.00 175.10 176.46 1ov8 n ASN 12 N 1.13 5.87 -4.20 4.85 3.02 -1.26 -4.55 115.26 120.11 1ov8 n ASN 12 Ca -0.21 -3.25 -0.12 0.00 -0.03 0.00 0.00 54.58 50.97 1ov8 n ASN 12 Cb 0.57 -1.28 -0.10 0.00 -0.61 0.00 0.00 39.78 38.35 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 -2.11 0.96 0.16 3.52 2.02 -1.26 -5.12 118.70 116.87 1ov8 s GLU 13 Ca 0.31 -1.43 -0.30 0.00 0.02 0.00 0.00 54.97 53.57 1ov8 s GLU 13 Cb -0.01 -0.24 -0.08 0.00 0.10 0.00 0.00 34.13 33.90 1ov8 s GLU 13 CO 0.02 -0.07 1.27 0.99 0.02 0.00 0.00 175.26 177.49 1ov8 s THR 14 N -3.63 3.44 0.32 3.63 2.01 -1.26 -4.97 115.64 115.18 1ov8 s THR 14 Ca 0.17 1.15 -0.28 0.00 0.31 0.00 0.00 61.69 63.04 1ov8 s THR 14 Cb 0.05 -3.73 -0.10 0.00 0.01 0.00 0.00 72.50 68.74 1ov8 s THR 14 CO -0.01 0.15 1.20 -2.84 -0.69 0.00 0.00 174.62 172.43 1ov8 s PRO 15 N 0.20 4.43 0.20 4.92 0.02 -1.26 -4.86 135.00 138.66 1ov8 s PRO 15 Ca 0.57 1.98 0.12 0.00 0.02 0.00 0.00 61.00 63.69 1ov8 s PRO 15 Cb -0.34 -3.06 -0.06 0.00 0.02 0.00 0.00 34.50 31.06 1ov8 s PRO 15 CO 0.35 -0.04 1.36 0.00 -0.33 0.00 0.00 177.00 178.34 1ov8 h ALA 16 N 3.45 0.53 -2.57 -1.55 0.00 -1.08 -3.47 119.26 114.58 1ov8 h ALA 16 Ca -0.48 -0.67 -0.11 0.00 0.00 0.00 0.00 54.91 53.65 1ov8 h ALA 16 Cb 1.22 -0.10 -0.17 0.00 0.00 0.00 0.00 17.79 18.74 1ov8 h ALA 16 CO 0.66 0.91 -0.43 -0.65 0.00 0.00 0.00 179.25 179.73 1ov8 s GLN 17 N -2.85 0.68 0.12 0.00 -0.21 -1.16 -5.06 119.66 111.17 1ov8 s GLN 17 Ca 0.03 -0.71 0.06 0.00 0.02 0.00 0.00 55.36 54.76 1ov8 s GLN 17 Cb 0.09 0.28 -0.04 0.00 1.00 0.00 0.00 33.01 34.33 1ov8 s GLN 17 CO 0.78 -0.19 -0.14 0.95 -2.12 0.00 0.00 175.29 174.57 1ov8 s THR 18 N -2.73 1.32 -0.09 -0.19 -4.23 -1.26 -1.84 115.64 106.63 1ov8 s THR 18 Ca -0.04 -1.68 -0.08 0.00 -1.18 0.00 0.00 61.69 58.71 1ov8 s THR 18 Cb -0.00 -1.49 0.02 0.00 1.34 0.00 0.00 72.50 72.37 1ov8 s THR 18 CO -0.05 -0.39 0.23 0.54 -0.54 0.00 0.00 174.62 174.42 1ov8 s VAL 19 N -2.03 0.00 -0.09 2.29 0.11 -0.70 -4.94 120.40 115.04 1ov8 s VAL 19 Ca 0.08 -0.01 -0.03 0.00 -2.93 0.00 0.00 61.98 59.09 1ov8 s VAL 19 Cb -0.05 -0.34 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 1ov8 s VAL 19 CO 0.03 -0.01 0.03 -0.70 -3.33 0.00 0.00 175.10 171.12 1ov8 s GLU 20 N 0.09 3.07 -0.02 1.54 2.12 -1.26 -1.17 118.70 123.08 1ov8 s GLU 20 Ca -0.00 -0.35 0.05 0.00 0.36 0.00 0.00 54.97 55.02 1ov8 s GLU 20 Cb -0.02 -2.87 -0.01 0.00 0.26 0.00 0.00 34.13 31.49 1ov8 s GLU 20 CO 0.00 0.72 -0.15 0.08 -0.54 0.00 0.00 175.26 175.37 1ov8 s VAL 21 N -0.92 1.23 0.11 3.70 1.01 0.57 -4.94 120.40 121.16 1ov8 s VAL 21 Ca 0.14 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 61.55 1ov8 s VAL 21 Cb -0.11 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1ov8 s VAL 21 CO 0.03 0.35 -0.22 -0.13 0.00 0.00 0.00 175.10 175.13 1ov8 s ARG 22 N -0.29 1.20 0.50 2.72 0.52 -1.26 -0.86 118.95 121.47 1ov8 s ARG 22 Ca 0.04 -1.21 -0.20 0.00 -0.52 0.00 0.00 55.73 53.85 1ov8 s ARG 22 Cb -0.07 -1.52 -0.08 0.00 0.52 0.00 0.00 34.95 33.81 1ov8 s ARG 22 CO -0.00 0.35 1.03 0.00 0.02 0.00 0.00 175.30 176.71 1ov8 s ALA 23 N -1.15 2.87 0.49 2.13 0.00 -1.08 -0.13 121.76 124.88 1ov8 s ALA 23 Ca 0.08 0.55 -0.23 0.00 0.00 0.00 0.00 51.96 52.37 1ov8 s ALA 23 Cb -0.10 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.71 1ov8 s ALA 23 CO 0.05 -0.35 1.30 0.00 0.00 0.00 0.00 175.76 176.76 1ov8 s ALA 24 N -2.07 2.99 -0.18 0.00 0.00 0.15 -4.39 121.76 118.25 1ov8 s ALA 24 Ca 0.66 1.22 0.18 0.00 0.00 0.00 0.00 51.96 54.02 1ov8 s ALA 24 Cb -0.16 -3.51 0.22 0.00 0.00 0.00 0.00 23.12 19.68 1ov8 s ALA 24 CO 0.22 -1.06 1.52 -1.00 0.00 0.00 0.00 175.76 175.44 1ov8 h PRO 25 N 1.94 0.00 0.00 0.00 0.13 -1.89 -3.36 132.00 128.82 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 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1ov8 h PRO 25 CO 0.59 0.37 -0.14 -0.25 -0.23 0.00 0.00 178.00 178.35 1ov8 n ASP 26 N -3.22 1.50 -3.96 1.44 8.00 -1.26 0.40 116.55 119.45 1ov8 n ASP 26 Ca 0.02 -2.51 -0.10 0.00 0.71 0.00 0.00 54.79 52.92 1ov8 n ASP 26 Cb 0.66 -0.28 -0.07 0.00 -0.02 0.00 0.00 41.12 41.41 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 -1.65 -0.06 -1.23 2.24 0.00 -1.26 -5.04 121.76 114.77 1ov8 s ALA 27 Ca 0.17 -0.87 -0.09 0.00 0.00 0.00 0.00 51.96 51.16 1ov8 s ALA 27 Cb 0.15 0.94 0.20 0.00 0.00 0.00 0.00 23.12 24.40 1ov8 s ALA 27 CO 0.02 -0.70 1.71 1.28 0.00 0.00 0.00 175.76 178.06 1ov8 n LEU 28 N -0.26 6.35 -3.77 0.00 4.77 -1.26 -4.42 117.00 118.40 1ov8 n LEU 28 Ca -0.06 -4.74 -0.09 0.00 -0.03 0.00 0.00 56.01 51.09 1ov8 n LEU 28 Cb 0.63 -1.46 -0.04 0.00 -2.33 0.00 0.00 43.42 40.22 1ov8 n LEU 28 CO 0.24 1.34 0.28 0.00 -1.33 0.00 0.00 177.39 177.92 1ov8 s ALA 29 N -0.10 -0.90 0.14 -1.18 0.00 -1.26 -3.65 121.76 114.81 1ov8 s ALA 29 Ca 0.38 -0.29 -0.18 0.00 0.00 0.00 0.00 51.96 51.88 1ov8 s ALA 29 Cb 0.06 0.87 -0.07 0.00 0.00 0.00 0.00 23.12 23.98 1ov8 s ALA 29 CO 0.02 -0.83 0.61 -0.06 0.00 0.00 0.00 175.76 175.50 1ov8 s PHE 30 N -3.89 3.70 0.34 0.00 0.08 -1.26 0.30 117.98 117.25 1ov8 s PHE 30 Ca 0.11 1.24 0.06 0.00 0.12 0.00 0.00 56.93 58.45 1ov8 s PHE 30 Cb -0.01 -2.49 0.63 0.00 -0.57 0.00 0.00 43.02 40.57 1ov8 s PHE 30 CO -0.01 0.46 1.86 0.00 -0.10 0.00 0.00 175.22 177.44 1ov8 h ALA 31 N 3.87 1.37 -2.82 5.36 0.00 -0.74 -3.39 119.26 122.92 1ov8 h ALA 31 Ca -0.49 -0.22 -0.69 0.00 0.00 0.00 0.00 54.91 53.51 1ov8 h ALA 31 Cb 1.20 -0.13 -0.23 0.00 0.00 0.00 0.00 17.79 18.64 1ov8 h ALA 31 CO 0.65 0.43 -0.53 -0.65 0.00 0.00 0.00 179.25 179.15 1ov8 s GLN 32 N -4.83 3.19 0.00 0.00 1.11 -1.26 -4.96 119.66 112.91 1ov8 s GLN 32 Ca -0.07 -0.83 0.24 0.00 0.01 0.00 0.00 55.36 54.71 1ov8 s GLN 32 Cb 0.15 -3.66 0.50 0.00 -1.01 0.00 0.00 33.01 28.99 1ov8 s GLN 32 CO 0.76 -0.52 1.43 0.25 0.01 0.00 0.00 175.29 177.22 1ov8 n THR 33 N 5.01 0.15 -3.79 -0.19 -2.24 -1.26 -4.82 114.28 107.14 1ov8 n THR 33 Ca -0.13 -0.49 -0.13 0.00 -2.27 0.00 0.00 64.05 61.03 1ov8 n THR 33 Cb 0.48 1.01 -0.11 0.00 -2.10 0.00 0.00 70.33 69.61 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 -1.81 -0.25 0.15 3.42 1.04 -1.26 -0.77 113.70 114.22 1ov8 s SER 34 Ca 0.33 0.46 0.05 0.00 0.48 0.00 0.00 55.95 57.27 1ov8 s SER 34 Cb 0.21 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.79 1ov8 s SER 34 CO 0.31 -0.14 -0.11 -0.76 0.98 0.00 0.00 173.24 173.52 1ov8 s LEU 35 N -0.06 2.52 -0.03 2.42 1.43 0.14 -4.92 118.68 120.18 1ov8 s LEU 35 Ca -0.02 -0.99 -0.01 0.00 -1.03 0.00 0.00 54.13 52.08 1ov8 s LEU 35 Cb -0.02 -0.41 0.03 0.00 0.03 0.00 0.00 46.19 45.81 1ov8 s LEU 35 CO 0.01 -0.29 0.03 -0.55 0.23 0.00 0.00 176.35 175.78 1ov8 s SER 36 N -3.11 0.51 0.01 2.29 0.15 -1.26 -1.16 113.70 111.13 1ov8 s SER 36 Ca 0.17 0.03 -0.06 0.00 0.70 0.00 0.00 55.95 56.78 1ov8 s SER 36 Cb 0.01 -0.14 -0.00 0.00 -1.71 0.00 0.00 66.02 64.18 1ov8 s SER 36 CO 0.02 -0.16 0.12 -0.76 1.20 0.00 0.00 173.24 173.65 1ov8 s LEU 37 N 1.40 1.66 0.48 3.45 1.43 -0.76 -4.98 118.68 121.36 1ov8 s LEU 37 Ca -0.05 -0.30 -0.21 0.00 -1.03 0.00 0.00 54.13 52.54 1ov8 s LEU 37 Cb -0.13 0.61 -0.08 0.00 0.03 0.00 0.00 46.19 46.63 1ov8 s LEU 37 CO -0.03 -0.39 1.09 -2.16 0.23 0.00 0.00 176.35 175.08 1ov8 s PRO 38 N -1.63 3.75 0.75 1.29 0.04 -1.26 -1.30 135.00 136.63 1ov8 s PRO 38 Ca -0.13 1.53 -0.12 0.00 0.04 0.00 0.00 61.00 62.32 1ov8 s PRO 38 Cb -0.07 -2.22 0.05 0.00 0.04 0.00 0.00 34.50 32.30 1ov8 s PRO 38 CO 0.00 -0.50 1.11 0.00 0.04 0.00 0.00 177.00 177.65 1ov8 s ALA 39 N -1.79 2.25 -1.57 8.56 0.00 0.01 -3.88 121.76 125.34 1ov8 s ALA 39 Ca 0.66 0.42 -0.06 0.00 0.00 0.00 0.00 51.96 52.98 1ov8 s ALA 39 Cb -0.21 -3.31 0.06 0.00 0.00 0.00 0.00 23.12 19.65 1ov8 s ALA 39 CO 0.26 -1.70 0.34 -1.71 0.00 0.00 0.00 175.76 172.94 1ov8 n ASN 40 N -3.19 -0.48 -4.20 0.00 5.15 -1.10 -4.93 115.26 106.52 1ov8 n ASN 40 Ca 0.10 -1.14 -0.27 0.00 -0.60 0.00 0.00 54.58 52.67 1ov8 n ASN 40 Cb 0.52 -2.26 -0.16 0.00 -0.53 0.00 0.00 39.78 37.36 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 -3.93 1.59 -0.17 -0.44 2.01 -1.25 -4.84 115.64 108.61 1ov8 s THR 41 Ca 0.22 -0.85 -0.29 0.00 0.31 0.00 0.00 61.69 61.08 1ov8 s THR 41 Cb -0.13 -1.33 -0.00 0.00 0.01 0.00 0.00 72.50 71.05 1ov8 s THR 41 CO 0.96 0.45 1.09 -0.69 -0.69 0.00 0.00 174.62 175.74 1ov8 s VAL 42 N -0.36 4.58 0.01 3.82 1.01 -1.26 -0.96 120.40 127.25 1ov8 s VAL 42 Ca 0.05 1.89 0.05 0.00 0.00 0.00 0.00 61.98 63.97 1ov8 s VAL 42 Cb -0.09 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 1ov8 s VAL 42 CO 0.00 -0.11 -0.16 -0.69 0.00 0.00 0.00 175.10 174.14 1ov8 s VAL 43 N 2.86 1.28 -0.27 2.92 1.01 -0.21 -0.36 120.40 127.62 1ov8 s VAL 43 Ca 0.48 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 1ov8 s VAL 43 Cb -0.18 -1.10 -0.00 0.00 0.00 0.00 0.00 36.38 35.10 1ov8 s VAL 43 CO 0.12 0.23 0.05 -0.60 0.00 0.00 0.00 175.10 174.91 1ov8 s ARG 44 N -0.71 3.27 -0.24 2.72 3.52 -0.77 -1.42 118.95 125.32 1ov8 s ARG 44 Ca 0.05 -0.73 -0.14 0.00 -0.13 0.00 0.00 55.73 54.78 1ov8 s ARG 44 Cb -0.07 -3.29 -0.04 0.00 -1.56 0.00 0.00 34.95 29.99 1ov8 s ARG 44 CO 0.00 -0.34 0.34 -1.17 -0.81 0.00 0.00 175.30 173.33 1ov8 s LEU 45 N 1.52 4.09 -0.27 -0.88 0.20 -0.20 -1.72 118.68 121.42 1ov8 s LEU 45 Ca 0.04 0.34 -0.07 0.00 0.69 0.00 0.00 54.13 55.12 1ov8 s LEU 45 Cb -0.16 -2.40 -0.01 0.00 -0.43 0.00 0.00 46.19 43.19 1ov8 s LEU 45 CO 0.02 -0.10 0.08 -1.81 -0.29 0.00 0.00 176.35 174.25 1ov8 s ASP 46 N 1.32 5.17 -0.31 3.68 1.01 -0.32 -2.16 116.67 125.06 1ov8 s ASP 46 Ca 0.15 -0.39 -0.10 0.00 0.71 0.00 0.00 52.55 52.92 1ov8 s ASP 46 Cb -0.15 -1.92 -0.01 0.00 1.01 0.00 0.00 42.92 41.85 1ov8 s ASP 46 CO 0.08 -0.10 0.17 0.12 0.21 0.00 0.00 175.17 175.65 1ov8 s PHE 47 N 1.58 3.19 -0.32 4.23 5.36 -0.21 -0.31 117.98 131.49 1ov8 s PHE 47 Ca 0.05 -0.42 -0.09 0.00 -0.96 0.00 0.00 56.93 55.51 1ov8 s PHE 47 Cb -0.16 -2.38 0.00 0.00 -0.34 0.00 0.00 43.02 40.15 1ov8 s PHE 47 CO 0.04 -0.40 0.15 0.08 -1.46 0.00 0.00 175.22 173.62 1ov8 s VAL 48 N 1.65 4.47 -0.94 3.12 1.01 -0.04 -1.55 120.40 128.12 1ov8 s VAL 48 Ca 0.05 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 1ov8 s VAL 48 Cb -0.17 -3.34 0.24 0.00 0.00 0.00 0.00 36.38 33.11 1ov8 s VAL 48 CO 0.07 -0.00 0.90 0.21 0.00 0.00 0.00 175.10 176.28 1ov8 s ASN 49 N 1.58 6.87 -0.24 3.32 2.47 -0.27 -2.63 114.94 126.03 1ov8 s ASN 49 Ca 0.04 -3.16 -0.05 0.00 0.42 0.00 0.00 52.86 50.11 1ov8 s ASN 49 Cb -0.18 -2.17 -0.01 0.00 -1.45 0.00 0.00 41.25 37.45 1ov8 s ASN 49 CO 0.06 -0.41 0.00 -1.10 -3.72 0.00 0.00 177.10 171.92 1ov8 s GLN 50 N -0.56 3.32 0.10 0.43 -1.52 -1.26 0.69 119.66 120.86 1ov8 s GLN 50 Ca 0.24 -0.68 -0.11 0.00 -1.95 0.00 0.00 55.36 52.86 1ov8 s GLN 50 Cb -0.10 -3.14 0.01 0.00 -0.22 0.00 0.00 33.01 29.56 1ov8 s GLN 50 CO -0.08 -0.26 0.26 0.54 -0.25 0.00 0.00 175.29 175.49 1ov8 s ASN 51 N 1.49 -0.01 0.00 5.90 2.20 -1.26 -4.36 114.94 118.90 1ov8 s ASN 51 Ca 0.05 -0.52 0.12 0.00 -0.94 0.00 0.00 52.86 51.57 1ov8 s ASN 51 Cb -0.15 0.39 0.38 0.00 -2.00 0.00 0.00 41.25 39.86 1ov8 s ASN 51 CO -0.01 -0.77 1.31 0.59 -2.94 0.00 0.00 177.10 175.28 1ov8 n ASN 52 N -0.10 1.89 -0.16 3.54 3.02 0.16 -4.03 115.26 119.59 1ov8 n ASN 52 Ca -0.15 -1.96 0.09 0.00 -0.03 0.00 0.00 54.58 52.53 1ov8 n ASN 52 Cb 0.63 -0.22 -0.07 0.00 -0.61 0.00 0.00 39.78 39.51 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 0.52 1.23 -1.55 3.41 4.77 -1.26 -4.95 117.00 119.18 1ov8 n LEU 53 Ca 0.13 -0.60 -0.16 0.00 -0.03 0.00 0.00 56.01 55.35 1ov8 n LEU 53 Cb 0.31 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1ov8 n LEU 53 CO 0.09 0.27 -0.18 0.61 -1.33 0.00 0.00 177.39 176.84 1ov8 n GLY 54 N 1.38 0.45 3.91 -0.72 0.00 -1.26 -5.00 105.19 103.96 1ov8 n GLY 54 Ca 0.05 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.70 5.34 0.40 1.61 0.11 -1.26 -4.64 120.40 119.25 1ov8 s VAL 55 Ca 0.00 -0.20 -0.16 0.00 -2.93 0.00 0.00 61.98 58.69 1ov8 s VAL 55 Cb 0.00 -3.61 -0.09 0.00 -1.53 0.00 0.00 36.38 31.15 1ov8 s VAL 55 CO 0.00 0.17 0.83 -1.10 -3.33 0.00 0.00 175.10 171.68 1ov8 s GLN 56 N -2.37 4.01 0.04 1.54 -0.21 -1.26 -3.14 119.66 118.27 1ov8 s GLN 56 Ca 0.34 0.79 -0.20 0.00 0.02 0.00 0.00 55.36 56.30 1ov8 s GLN 56 Cb -0.13 -2.31 0.04 0.00 1.00 0.00 0.00 33.01 31.61 1ov8 s GLN 56 CO 0.25 0.00 0.47 -1.01 -2.12 0.00 0.00 175.29 172.88 1ov8 s HIS 57 N -2.21 -0.35 0.38 0.91 3.76 -0.53 -4.92 115.29 112.33 1ov8 s HIS 57 Ca 0.56 0.38 0.05 0.00 -0.15 0.00 0.00 55.06 55.90 1ov8 s HIS 57 Cb -0.10 0.28 -0.02 0.00 1.11 0.00 0.00 32.58 33.85 1ov8 s HIS 57 CO 0.21 -0.60 0.18 0.27 -0.85 0.00 0.00 174.74 173.95 1ov8 n ASN 58 N 0.50 0.67 -3.93 1.40 6.94 -1.26 -1.02 115.26 118.55 1ov8 n ASN 58 Ca -0.19 -3.15 -0.25 0.00 -0.02 0.00 0.00 54.58 50.97 1ov8 n ASN 58 Cb 0.60 1.20 -0.17 0.00 -2.36 0.00 0.00 39.78 39.05 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 -3.15 1.35 -0.12 -2.53 -0.00 -1.26 -4.27 118.94 108.95 1ov8 s TRP 59 Ca 0.26 -0.58 -0.02 0.00 -0.00 0.00 0.00 56.10 55.76 1ov8 s TRP 59 Cb 0.01 -1.10 0.04 0.00 -0.00 0.00 0.00 33.47 32.43 1ov8 s TRP 59 CO 0.18 -0.40 0.00 0.08 -0.00 0.00 0.00 176.95 176.82 1ov8 s VAL 60 N 1.32 0.54 -0.15 5.86 1.01 0.29 -1.35 120.40 127.92 1ov8 s VAL 60 Ca -0.03 -0.19 -0.21 0.00 0.00 0.00 0.00 61.98 61.55 1ov8 s VAL 60 Cb -0.14 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1ov8 s VAL 60 CO -0.03 0.11 0.62 -0.22 0.00 0.00 0.00 175.10 175.58 1ov8 s LEU 61 N 1.89 4.21 0.12 3.92 2.96 0.14 -0.95 118.68 130.97 1ov8 s LEU 61 Ca 0.03 0.93 0.07 0.00 -0.22 0.00 0.00 54.13 54.94 1ov8 s LEU 61 Cb -0.14 -2.91 -0.04 0.00 0.50 0.00 0.00 46.19 43.60 1ov8 s LEU 61 CO -0.07 -0.18 -0.08 0.68 -1.32 0.00 0.00 176.35 175.38 1ov8 s VAL 62 N 1.38 3.44 -1.28 1.68 -7.23 -0.19 -0.51 120.40 117.69 1ov8 s VAL 62 Ca 0.31 -1.31 -0.09 0.00 -1.81 0.00 0.00 61.98 59.07 1ov8 s VAL 62 Cb -0.16 -2.64 -0.12 0.00 0.56 0.00 0.00 36.38 34.03 1ov8 s VAL 62 CO 0.12 0.06 2.99 -3.20 -0.31 0.00 0.00 175.10 174.77 1ov8 n ASN 63 N 0.52 7.80 0.00 4.85 4.05 0.23 -4.00 115.26 128.71 1ov8 n ASN 63 Ca -0.12 -2.53 0.00 0.00 0.45 0.00 0.00 54.58 52.38 1ov8 n ASN 63 Cb 0.53 -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 3.40 -0.29 0.00 8.20 0.00 -1.26 -4.97 105.19 110.27 1ov8 n GLY 64 Ca 0.69 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 3.37 0.36 -0.02 0.00 -1.26 -2.00 105.19 105.64 1ov8 n GLY 65 Ca 0.00 -1.87 0.14 0.00 0.00 0.00 0.00 46.02 44.28 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 0.36 -0.06 1.61 3.32 -1.99 0.32 116.42 119.98 1ov8 h ASP 66 Ca 0.00 0.01 -0.23 0.00 0.02 0.00 0.00 57.03 56.83 1ov8 h ASP 66 Cb 0.00 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.50 1ov8 h ASP 66 CO 0.00 0.20 -0.85 0.44 -1.72 0.00 0.00 179.24 177.32 1ov8 h ASP 67 N 0.39 0.88 -0.46 6.45 3.32 -2.00 -1.33 116.42 123.68 1ov8 h ASP 67 Ca 0.31 -0.61 -0.14 0.00 0.02 0.00 0.00 57.03 56.60 1ov8 h ASP 67 Cb 0.67 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1ov8 h ASP 67 CO -0.09 1.41 -0.26 0.58 -1.72 0.00 0.00 179.24 179.17 1ov8 h VAL 68 N 0.47 1.27 -0.95 -1.35 2.07 -1.67 -2.77 116.25 113.32 1ov8 h VAL 68 Ca -0.07 -1.43 0.09 0.00 0.82 0.00 0.00 66.70 66.11 1ov8 h VAL 68 Cb 1.48 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 32.36 1ov8 h VAL 68 CO 0.17 0.49 0.61 0.00 0.02 0.00 0.00 177.57 178.86 1ov8 h ALA 69 N 0.85 1.54 -0.34 1.67 0.00 -0.21 -0.95 119.26 121.83 1ov8 h ALA 69 Ca 0.10 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1ov8 h ALA 69 Cb 0.84 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1ov8 h ALA 69 CO 0.07 0.27 0.10 0.00 0.00 0.00 0.00 179.25 179.69 1ov8 h ALA 70 N 1.52 0.44 -0.20 0.00 0.00 -1.05 0.23 119.26 120.22 1ov8 h ALA 70 Ca 0.44 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1ov8 h ALA 70 Cb 0.36 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1ov8 h ALA 70 CO -0.20 0.09 0.08 0.00 0.00 0.00 0.00 179.25 179.22 1ov8 h ALA 71 N 0.94 0.22 -0.62 0.00 0.00 -1.11 0.26 119.26 118.96 1ov8 h ALA 71 Ca 0.11 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1ov8 h ALA 71 Cb 0.27 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1ov8 h ALA 71 CO -0.00 -0.35 0.12 0.28 0.00 0.00 0.00 179.25 179.30 1ov8 h VAL 72 N 0.17 1.26 -0.80 0.00 2.07 -0.93 -1.92 116.25 116.10 1ov8 h VAL 72 Ca 0.08 -0.98 -0.04 0.00 0.82 0.00 0.00 66.70 66.58 1ov8 h VAL 72 Cb 0.05 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1ov8 h VAL 72 CO -0.08 0.37 0.33 -1.13 0.02 0.00 0.00 177.57 177.07 1ov8 h ASN 73 N 0.93 1.09 -0.60 0.57 -1.24 -0.16 -1.41 115.58 114.77 1ov8 h ASN 73 Ca 0.19 -0.17 -0.06 0.00 0.71 0.00 0.00 56.30 56.97 1ov8 h ASN 73 Cb 0.41 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.15 1ov8 h ASN 73 CO 0.01 0.96 0.13 0.74 -1.29 0.00 0.00 177.43 177.98 1ov8 h THR 74 N 1.16 1.25 -0.36 -3.57 2.02 -0.23 0.92 112.91 114.10 1ov8 h THR 74 Ca 0.27 -0.94 -0.03 0.00 0.77 0.00 0.00 66.41 66.47 1ov8 h THR 74 Cb 0.20 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1ov8 h THR 74 CO -0.02 0.35 0.08 0.00 0.37 0.00 0.00 175.52 176.29 1ov8 h ALA 75 N 1.03 1.46 -0.21 6.16 0.00 -0.94 -2.23 119.26 124.53 1ov8 h ALA 75 Ca 0.19 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 1ov8 h ALA 75 Cb 0.38 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ov8 h ALA 75 CO 0.01 0.39 -0.52 0.00 0.00 0.00 0.00 179.25 179.12 1ov8 h ALA 76 N 1.57 0.34 -0.93 0.00 0.00 -0.65 -3.09 119.26 116.50 1ov8 h ALA 76 Ca 0.12 -0.50 0.25 0.00 0.00 0.00 0.00 54.91 54.78 1ov8 h ALA 76 Cb 0.22 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1ov8 h ALA 76 CO -0.00 0.54 0.65 0.37 0.00 0.00 0.00 179.25 180.80 1ov8 h GLN 77 N 0.44 0.16 -0.98 0.00 4.15 -0.22 0.22 115.11 118.88 1ov8 h GLN 77 Ca -0.01 -0.01 -0.40 0.00 0.77 0.00 0.00 58.65 59.00 1ov8 h GLN 77 Cb 1.14 -0.04 -0.24 0.00 0.21 0.00 0.00 27.48 28.55 1ov8 h GLN 77 CO 0.11 0.11 0.51 0.09 -1.93 0.00 0.00 178.83 177.72 1ov8 n ASN 78 N -4.38 3.67 -2.60 -0.69 3.02 -1.08 -4.31 115.26 108.89 1ov8 n ASN 78 Ca 0.20 -3.27 -0.13 0.00 -0.03 0.00 0.00 54.58 51.34 1ov8 n ASN 78 Cb 0.89 -0.77 0.02 0.00 -0.61 0.00 0.00 39.78 39.32 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 -0.77 2.51 0.09 6.41 5.15 0.77 -4.90 115.26 124.52 1ov8 n ASN 79 Ca 0.47 -2.93 0.13 0.00 -0.60 0.00 0.00 54.58 51.65 1ov8 n ASN 79 Cb 1.43 -0.49 0.63 0.00 -0.53 0.00 0.00 39.78 40.82 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 2.79 2.20 0.00 5.20 0.00 -1.76 0.11 119.26 127.80 1ov8 h ALA 80 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ov8 h ALA 80 Cb 1.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1ov8 h ALA 80 CO 0.56 -0.28 0.00 -0.44 0.00 0.00 0.00 179.25 179.09 1ov8 h ASP 81 N 0.09 0.00 -0.16 0.00 3.32 -1.96 -1.57 116.42 116.14 1ov8 h ASP 81 Ca 0.16 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1ov8 h ASP 81 Cb 0.50 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1ov8 h ASP 81 CO -0.01 0.00 -0.07 0.00 -1.72 0.00 0.00 179.24 177.43 1ov8 n ALA 82 N -1.80 3.07 -3.59 3.45 0.00 -0.90 -4.78 120.51 115.97 1ov8 n ALA 82 Ca 0.02 -2.70 -0.24 0.00 0.00 0.00 0.00 53.44 50.52 1ov8 n ALA 82 Cb 0.22 -0.56 0.08 0.00 0.00 0.00 0.00 19.45 19.19 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 -1.02 -3.39 -1.53 0.00 4.77 -0.59 -3.67 117.00 111.56 1ov8 n LEU 83 Ca 0.22 -0.54 -0.15 0.00 -0.03 0.00 0.00 56.01 55.51 1ov8 n LEU 83 Cb 0.81 -3.03 -0.02 0.00 -2.33 0.00 0.00 43.42 38.84 1ov8 n LEU 83 CO 0.09 0.65 -0.18 0.49 -1.33 0.00 0.00 177.39 177.11 1ov8 n PHE 84 N -5.01 -0.50 -2.43 -1.77 3.72 -0.02 -4.79 117.46 106.67 1ov8 n PHE 84 Ca 0.01 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.13 1ov8 n PHE 84 Cb 0.56 -2.97 0.02 0.00 -0.94 0.00 0.00 39.48 36.15 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 -2.68 4.31 0.27 -4.37 -7.23 -1.24 -4.33 120.40 105.13 1ov8 s VAL 85 Ca 0.00 0.20 -0.31 0.00 -1.81 0.00 0.00 61.98 60.06 1ov8 s VAL 85 Cb 0.00 -3.68 -0.12 0.00 0.56 0.00 0.00 36.38 33.14 1ov8 s VAL 85 CO 0.00 -0.71 1.63 -2.65 -0.31 0.00 0.00 175.10 173.06 1ov8 n PRO 86 N -2.47 2.74 -1.54 4.82 -0.02 -1.26 -4.60 135.00 132.66 1ov8 n PRO 86 Ca 0.03 0.98 -0.36 0.00 -2.02 0.00 0.00 63.50 62.12 1ov8 n PRO 86 Cb 0.56 -2.78 0.08 0.00 -0.02 0.00 0.00 33.50 31.34 1ov8 n PRO 86 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1ov8 n PRO 87 N 2.60 0.81 -1.74 0.52 -0.02 -1.26 -4.91 135.00 131.00 1ov8 n PRO 87 Ca 0.10 0.33 -0.40 0.00 -2.02 0.00 0.00 63.50 61.52 1ov8 n PRO 87 Cb 0.36 -2.39 0.02 0.00 -0.02 0.00 0.00 33.50 31.47 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 -1.93 2.12 -0.93 0.52 -0.02 -1.26 -1.74 135.00 131.76 1ov8 n PRO 88 Ca 0.15 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 1ov8 n PRO 88 Cb 0.49 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 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 -0.16 -1.33 -4.66 2.55 8.00 -1.26 -4.97 116.55 114.71 1ov8 n ASP 89 Ca 0.06 0.00 -0.51 0.00 0.71 0.00 0.00 54.79 55.05 1ov8 n ASP 89 Cb 0.41 -0.81 -0.05 0.00 -0.02 0.00 0.00 41.12 40.65 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 -2.28 0.23 -1.77 -3.53 -1.04 -0.71 -4.87 114.28 100.31 1ov8 n THR 90 Ca 0.00 -0.04 -0.41 0.00 -2.04 0.00 0.00 64.05 61.55 1ov8 n THR 90 Cb 0.04 -1.40 -0.01 0.00 -1.82 0.00 0.00 70.33 67.14 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 2.30 4.11 -0.22 -2.82 0.02 -1.26 -2.97 135.00 134.15 1ov8 s PRO 91 Ca 0.88 2.59 0.00 0.00 0.02 0.00 0.00 61.00 64.49 1ov8 s PRO 91 Cb -0.83 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 30.68 1ov8 s PRO 91 CO 0.50 -0.63 0.00 0.09 -0.33 0.00 0.00 177.00 176.63 1ov8 n ASN 92 N 1.92 -4.38 -4.39 2.53 5.03 -1.26 -4.77 115.26 109.94 1ov8 n ASN 92 Ca 0.07 0.05 -0.44 0.00 0.87 0.00 0.00 54.58 55.13 1ov8 n ASN 92 Cb 0.38 -2.06 -0.07 0.00 -1.02 0.00 0.00 39.78 37.00 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 -1.70 3.52 0.05 5.41 0.00 -1.16 0.78 121.76 128.67 1ov8 s ALA 93 Ca 0.00 -2.07 -0.15 0.00 0.00 0.00 0.00 51.96 49.73 1ov8 s ALA 93 Cb 0.00 -3.17 -0.27 0.00 0.00 0.00 0.00 23.12 19.68 1ov8 s ALA 93 CO 0.00 -1.85 1.12 -0.07 0.00 0.00 0.00 175.76 174.96 1ov8 h LEU 94 N 9.04 0.85 -7.00 0.00 3.38 -1.13 -2.43 115.31 118.03 1ov8 h LEU 94 Ca -0.28 -0.79 -0.02 0.00 0.09 0.00 0.00 57.88 56.87 1ov8 h LEU 94 Cb 1.10 -0.27 -0.21 0.00 0.09 0.00 0.00 40.66 41.38 1ov8 h LEU 94 CO 0.92 1.55 0.26 0.00 0.09 0.00 0.00 178.44 181.26 1ov8 s ALA 95 N -3.09 -1.82 -0.04 1.53 0.00 -1.17 -1.08 121.76 116.08 1ov8 s ALA 95 Ca -0.10 1.67 -0.18 0.00 0.00 0.00 0.00 51.96 53.34 1ov8 s ALA 95 Cb 0.06 -0.68 0.04 0.00 0.00 0.00 0.00 23.12 22.53 1ov8 s ALA 95 CO 0.92 -0.33 0.40 1.67 0.00 0.00 0.00 175.76 178.42 1ov8 s TRP 96 N -0.47 -0.32 0.68 0.00 -2.14 0.30 0.23 118.94 117.22 1ov8 s TRP 96 Ca -0.04 0.57 -0.08 0.00 2.66 0.00 0.00 56.10 59.21 1ov8 s TRP 96 Cb -0.02 0.17 0.04 0.00 -3.10 0.00 0.00 33.47 30.56 1ov8 s TRP 96 CO 0.04 -0.41 1.02 0.95 -2.66 0.00 0.00 176.95 175.88 1ov8 s THR 97 N -1.07 2.85 1.02 0.66 -4.23 -0.45 -1.29 115.64 113.13 1ov8 s THR 97 Ca -0.11 -0.03 -0.12 0.00 -1.18 0.00 0.00 61.69 60.25 1ov8 s THR 97 Cb -0.04 -3.22 0.20 0.00 1.34 0.00 0.00 72.50 70.79 1ov8 s THR 97 CO 0.05 -0.25 1.07 0.00 -0.54 0.00 0.00 174.62 174.96 1ov8 s ALA 98 N -3.23 0.64 -0.17 3.99 0.00 -1.26 -4.54 121.76 117.18 1ov8 s ALA 98 Ca 0.58 -0.04 -0.27 0.00 0.00 0.00 0.00 51.96 52.23 1ov8 s ALA 98 Cb -0.11 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 1ov8 s ALA 98 CO 0.47 -3.09 0.91 1.41 0.00 0.00 0.00 175.76 175.46 1ov8 s MET 99 N -4.71 4.31 -0.14 0.00 1.75 -1.26 -4.57 119.30 114.67 1ov8 s MET 99 Ca 0.66 1.15 -0.04 0.00 -1.25 0.00 0.00 55.69 56.22 1ov8 s MET 99 Cb -0.21 -3.58 -0.03 0.00 2.84 0.00 0.00 34.83 33.84 1ov8 s MET 99 CO 0.60 -0.39 -0.03 -0.51 -0.65 0.00 0.00 175.02 174.04 1ov8 s LEU 100 N 2.35 3.33 0.66 4.11 1.43 -0.19 -4.91 118.68 125.46 1ov8 s LEU 100 Ca 0.41 -0.07 -0.15 0.00 -1.03 0.00 0.00 54.13 53.29 1ov8 s LEU 100 Cb -0.17 -1.80 -0.00 0.00 0.03 0.00 0.00 46.19 44.26 1ov8 s LEU 100 CO 0.12 0.21 1.10 0.20 0.23 0.00 0.00 176.35 178.21 1ov8 s ASN 101 N 0.15 5.14 0.16 2.29 0.01 -1.26 -1.45 114.94 119.97 1ov8 s ASN 101 Ca -0.01 1.97 -0.34 0.00 -0.71 0.00 0.00 52.86 53.77 1ov8 s ASN 101 Cb -0.13 -2.55 -0.15 0.00 0.41 0.00 0.00 41.25 38.83 1ov8 s ASN 101 CO 0.03 -1.61 1.36 0.00 -1.51 0.00 0.00 177.10 175.36 1ov8 n ALA 102 N -2.45 -0.00 -0.35 0.60 0.00 -1.19 -0.68 120.51 116.44 1ov8 n ALA 102 Ca 0.10 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1ov8 n ALA 102 Cb 0.52 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.81 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 2.51 0.78 3.90 0.00 0.00 0.22 -4.97 105.19 107.62 1ov8 n GLY 103 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.59 2.71 -0.02 1.61 2.02 0.14 -4.95 118.70 119.62 1ov8 s GLU 104 Ca 0.00 -1.35 -0.04 0.00 0.02 0.00 0.00 54.97 53.60 1ov8 s GLU 104 Cb 0.00 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.72 1ov8 s GLU 104 CO 0.00 -0.07 0.10 -1.12 0.02 0.00 0.00 175.26 174.19 1ov8 s SER 105 N -4.12 -0.03 -0.00 -0.19 0.01 -1.26 -1.11 113.70 106.99 1ov8 s SER 105 Ca 0.46 0.02 -0.19 0.00 1.31 0.00 0.00 55.95 57.55 1ov8 s SER 105 Cb -0.06 0.21 0.04 0.00 0.21 0.00 0.00 66.02 66.41 1ov8 s SER 105 CO 0.28 -0.16 0.41 -0.83 0.41 0.00 0.00 173.24 173.35 1ov8 s GLY 106 N -0.53 -0.27 0.25 3.44 0.00 -0.60 -5.01 107.32 104.60 1ov8 s GLY 106 Ca -0.06 0.51 0.07 0.00 0.00 0.00 0.00 44.72 45.24 1ov8 s GLY 106 CO 0.00 0.26 -0.09 -0.56 0.00 0.00 0.00 173.10 172.71 1ov8 s SER 107 N -1.51 2.70 -0.03 1.64 0.01 -1.26 -1.05 113.70 114.20 1ov8 s SER 107 Ca -0.11 -1.12 -0.01 0.00 1.31 0.00 0.00 55.95 56.02 1ov8 s SER 107 Cb -0.03 -0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.07 1ov8 s SER 107 CO 0.03 -0.27 0.07 0.54 0.41 0.00 0.00 173.24 174.02 1ov8 s VAL 108 N -2.99 -0.03 -0.18 3.43 0.11 -0.92 -4.71 120.40 115.11 1ov8 s VAL 108 Ca 0.27 0.12 -0.03 0.00 -2.93 0.00 0.00 61.98 59.41 1ov8 s VAL 108 Cb 0.02 -0.12 -0.02 0.00 -1.53 0.00 0.00 36.38 34.73 1ov8 s VAL 108 CO 0.10 0.05 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.98 1ov8 s THR 109 N 0.67 3.58 0.13 5.04 2.01 -1.26 -1.03 115.64 124.78 1ov8 s THR 109 Ca -0.05 -0.45 -0.16 0.00 0.31 0.00 0.00 61.69 61.34 1ov8 s THR 109 Cb -0.07 -2.59 0.03 0.00 0.01 0.00 0.00 72.50 69.88 1ov8 s THR 109 CO -0.02 0.46 0.41 0.72 -0.69 0.00 0.00 174.62 175.49 1ov8 s PHE 110 N 0.86 -0.17 -0.21 4.92 -0.71 -0.51 -2.17 117.98 120.00 1ov8 s PHE 110 Ca -0.01 -0.16 -0.23 0.00 -1.04 0.00 0.00 56.93 55.49 1ov8 s PHE 110 Cb -0.15 0.26 -0.02 0.00 -1.21 0.00 0.00 43.02 41.91 1ov8 s PHE 110 CO 0.01 -0.72 0.75 0.50 -1.34 0.00 0.00 175.22 174.42 1ov8 s ARG 111 N -3.82 4.22 0.66 1.99 3.52 0.29 -1.05 118.95 124.76 1ov8 s ARG 111 Ca 0.04 0.82 -0.17 0.00 -0.13 0.00 0.00 55.73 56.28 1ov8 s ARG 111 Cb 0.02 -3.61 -0.01 0.00 -1.56 0.00 0.00 34.95 29.79 1ov8 s ARG 111 CO -0.11 -0.37 1.16 0.25 -0.81 0.00 0.00 175.30 175.43 1ov8 n THR 112 N 4.93 4.20 -0.79 4.11 -2.24 -0.13 -4.84 114.28 119.52 1ov8 n THR 112 Ca 0.02 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1ov8 n THR 112 Cb 0.49 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 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 -1.79 0.19 -1.29 -0.78 -0.04 -1.26 -2.70 135.00 127.33 1ov8 n PRO 113 Ca 0.15 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.30 1ov8 n PRO 113 Cb 0.48 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.04 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 -3.98 2.08 0.32 0.55 0.00 -1.26 -2.74 121.76 116.73 1ov8 s ALA 114 Ca 0.00 0.12 -0.27 0.00 0.00 0.00 0.00 51.96 51.81 1ov8 s ALA 114 Cb 0.00 -3.23 -0.14 0.00 0.00 0.00 0.00 23.12 19.76 1ov8 s ALA 114 CO 0.00 -1.89 0.90 -2.30 0.00 0.00 0.00 175.76 172.47 1ov8 n PRO 115 N -3.59 1.11 -3.20 0.00 -0.02 -1.26 -4.80 135.00 123.24 1ov8 n PRO 115 Ca 0.08 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1ov8 n PRO 115 Cb 0.54 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 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 1.37 -1.24 3.25 -1.23 0.00 -0.54 -4.96 105.19 101.84 1ov8 n GLY 116 Ca 0.11 -1.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.54 2.24 0.02 2.61 2.01 -1.26 -0.47 115.64 118.25 1ov8 s THR 117 Ca 0.00 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 61.07 1ov8 s THR 117 Cb 0.00 -1.87 -0.01 0.00 0.01 0.00 0.00 72.50 70.63 1ov8 s THR 117 CO 0.00 0.55 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.09 1ov8 s TYR 118 N 0.31 0.74 0.15 4.92 1.51 0.60 -4.67 117.35 120.91 1ov8 s TYR 118 Ca -0.17 -0.29 -0.11 0.00 -1.01 0.00 0.00 57.07 55.49 1ov8 s TYR 118 Cb -0.17 -0.45 -0.07 0.00 -0.11 0.00 0.00 41.96 41.16 1ov8 s TYR 118 CO 0.08 -0.02 0.49 -0.51 -1.11 0.00 0.00 175.55 174.48 1ov8 s LEU 119 N -0.83 4.30 -0.03 -1.29 1.43 -0.85 0.49 118.68 121.90 1ov8 s LEU 119 Ca -0.02 0.92 0.07 0.00 -1.03 0.00 0.00 54.13 54.08 1ov8 s LEU 119 Cb -0.06 -3.28 -0.02 0.00 0.03 0.00 0.00 46.19 42.86 1ov8 s LEU 119 CO 0.00 0.08 -0.25 -0.72 0.23 0.00 0.00 176.35 175.69 1ov8 s TYR 120 N -1.54 2.29 0.22 0.29 -0.85 -0.44 -1.02 117.35 116.31 1ov8 s TYR 120 Ca 0.39 -0.48 -0.00 0.00 -0.52 0.00 0.00 57.07 56.46 1ov8 s TYR 120 Cb -0.14 -1.48 -0.04 0.00 0.38 0.00 0.00 41.96 40.68 1ov8 s TYR 120 CO 0.20 -0.07 0.12 0.96 -1.52 0.00 0.00 175.55 175.24 1ov8 s ILE 121 N -0.51 0.19 -0.14 -3.49 -4.36 -0.12 -0.47 121.20 112.30 1ov8 s ILE 121 Ca 0.07 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.42 1ov8 s ILE 121 Cb -0.10 -2.55 -0.03 0.00 1.25 0.00 0.00 42.46 41.03 1ov8 s ILE 121 CO -0.00 0.00 0.01 0.00 0.24 0.00 0.00 174.94 175.19 1ov8 n THR 123 N 2.99 0.47 -1.73 0.00 -2.24 -1.26 -3.41 114.28 109.10 1ov8 n THR 123 Ca -0.18 -0.71 -0.42 0.00 -2.27 0.00 0.00 64.05 60.47 1ov8 n THR 123 Cb 0.53 0.92 -0.02 0.00 -2.10 0.00 0.00 70.33 69.66 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 1.38 2.71 -1.63 4.78 7.35 -1.26 -4.61 117.46 126.18 1ov8 n PHE 124 Ca 0.19 0.30 -0.59 0.00 -0.76 0.00 0.00 57.45 56.59 1ov8 n PHE 124 Cb 0.58 -2.57 -0.08 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 2.04 0.58 0.00 -7.13 -0.02 -1.26 -1.43 135.00 127.78 1ov8 n PRO 125 Ca 0.09 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1ov8 n PRO 125 Cb 0.36 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 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 3.01 2.86 0.21 -1.23 0.00 -1.26 -4.90 105.19 103.88 1ov8 n GLY 126 Ca 0.24 0.00 -0.15 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 0.88 -0.61 1.61 3.86 -1.52 -0.87 115.15 118.50 1ov8 h HIS 127 Ca 0.00 -0.32 0.02 0.00 -1.16 0.00 0.00 60.37 58.91 1ov8 h HIS 127 Cb 0.00 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.27 1ov8 h HIS 127 CO 0.00 1.10 0.39 -0.92 0.86 0.00 0.00 177.93 179.36 1ov8 h TYR 128 N 0.41 0.74 0.00 2.45 3.20 -1.75 0.13 116.97 122.15 1ov8 h TYR 128 Ca 0.01 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1ov8 h TYR 128 Cb 1.05 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 1ov8 h TYR 128 CO 0.09 0.44 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.75 1ov8 h LEU 129 N 0.79 0.00 -0.05 2.82 3.38 -1.89 -0.56 115.31 119.79 1ov8 h LEU 129 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1ov8 h LEU 129 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1ov8 h LEU 129 CO -0.07 0.23 -0.01 0.00 0.09 0.00 0.00 178.44 178.67 1ov8 n ALA 130 N -2.46 2.60 0.00 1.53 0.00 -0.34 -4.89 120.51 116.95 1ov8 n ALA 130 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1ov8 n ALA 130 Cb 0.29 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 1.18 1.14 3.55 0.00 0.00 -0.22 -4.98 105.19 105.85 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 -0.51 3.74 0.24 1.61 0.00 0.36 -4.85 119.30 119.89 1ov8 s MET 132 Ca 0.00 -1.52 -0.17 0.00 0.00 0.00 0.00 55.69 54.00 1ov8 s MET 132 Cb 0.00 -5.36 0.01 0.00 0.00 0.00 0.00 34.83 29.48 1ov8 s MET 132 CO 0.00 -2.17 0.56 -1.59 0.00 0.00 0.00 175.02 171.83 1ov8 s LYS 133 N 4.38 1.57 0.32 4.11 -2.85 -1.26 -2.59 119.74 123.42 1ov8 s LYS 133 Ca 0.47 -1.06 -0.17 0.00 -1.00 0.00 0.00 55.97 54.21 1ov8 s LYS 133 Cb 0.01 0.53 0.03 0.00 -2.06 0.00 0.00 37.83 36.33 1ov8 s LYS 133 CO -0.04 -0.68 0.70 0.20 0.10 0.00 0.00 175.35 175.63 1ov8 s GLY 134 N -2.95 0.25 -0.15 0.59 0.00 0.38 -4.74 107.32 100.70 1ov8 s GLY 134 Ca 0.15 -0.61 0.01 0.00 0.00 0.00 0.00 44.72 44.26 1ov8 s GLY 134 CO 0.05 -0.29 -0.16 -1.59 0.00 0.00 0.00 173.10 171.10 1ov8 s THR 135 N -3.33 2.59 -0.24 0.90 2.01 0.05 -1.32 115.64 116.29 1ov8 s THR 135 Ca 0.15 -0.80 -0.10 0.00 0.31 0.00 0.00 61.69 61.25 1ov8 s THR 135 Cb -0.05 -2.09 -0.05 0.00 0.01 0.00 0.00 72.50 70.33 1ov8 s THR 135 CO 0.10 0.52 0.15 -0.22 -0.69 0.00 0.00 174.62 174.48 1ov8 s LEU 136 N 0.82 4.01 -0.30 4.42 2.96 0.18 -0.68 118.68 130.09 1ov8 s LEU 136 Ca -0.05 0.06 -0.11 0.00 -0.22 0.00 0.00 54.13 53.80 1ov8 s LEU 136 Cb -0.15 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 1ov8 s LEU 136 CO -0.00 0.04 0.18 -0.89 -1.32 0.00 0.00 176.35 174.36 1ov8 s THR 137 N 1.18 5.04 -0.29 3.68 2.01 -0.31 -0.29 115.64 126.67 1ov8 s THR 137 Ca 0.07 -0.11 -0.11 0.00 0.31 0.00 0.00 61.69 61.84 1ov8 s THR 137 Cb -0.14 -3.49 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 1ov8 s THR 137 CO 0.05 0.14 0.20 -0.69 -0.69 0.00 0.00 174.62 173.63 1ov8 s VAL 138 N 1.70 5.31 0.70 3.82 1.01 0.38 -1.83 120.40 131.48 1ov8 s VAL 138 Ca 0.06 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.16 1ov8 s VAL 138 Cb -0.17 -3.55 0.11 0.00 0.00 0.00 0.00 36.38 32.77 1ov8 s VAL 138 CO 0.09 0.23 0.97 0.42 0.00 0.00 0.00 175.10 176.80 1ov8 s THR 139 N 1.76 2.24 -2.00 3.92 -4.23 -0.42 -1.47 115.64 115.44 1ov8 s THR 139 Ca 0.07 -0.55 0.04 0.00 -1.18 0.00 0.00 61.69 60.07 1ov8 s THR 139 Cb -0.16 -2.69 0.12 0.00 1.34 0.00 0.00 72.50 71.11 1ov8 s THR 139 CO 0.11 0.00 0.73 -2.65 -0.54 0.00 0.00 174.62 172.27