#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vi8 s LEU 1 N 0.00 4.45 -0.10 1.04 2.96 -1.25 -3.75 118.68 122.03 1vi8 s LEU 1 Ca 0.00 -0.25 0.16 0.00 -0.22 0.00 0.00 54.13 53.82 1vi8 s LEU 1 Cb 0.00 -2.32 -0.23 0.00 0.50 0.00 0.00 46.19 44.14 1vi8 s LEU 1 CO 0.00 -0.33 0.39 2.30 -1.32 0.00 0.00 176.35 177.39 1vi8 n ILE 2 N 5.23 1.35 -1.70 6.68 -5.35 -0.54 -4.97 119.36 120.05 1vi8 n ILE 2 Ca -0.09 -0.79 -0.44 0.00 -0.27 0.00 0.00 62.75 61.16 1vi8 n ILE 2 Cb 0.49 -0.66 -0.03 0.00 -1.74 0.00 0.00 39.64 37.70 1vi8 n ILE 2 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 1vi8 n TRP 3 N -2.84 2.53 0.45 4.28 7.02 -1.26 -4.74 117.44 122.89 1vi8 n TRP 3 Ca -0.23 0.23 0.05 0.00 -1.02 0.00 0.00 57.50 56.53 1vi8 n TRP 3 Cb 1.04 -2.58 0.02 0.00 -2.42 0.00 0.00 31.31 27.38 1vi8 n TRP 3 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1vi8 n LYS 4 N 3.03 1.21 -4.17 -0.99 5.02 0.60 -4.91 118.16 117.95 1vi8 n LYS 4 Ca 0.14 -0.90 -0.25 0.00 -2.02 0.00 0.00 58.31 55.28 1vi8 n LYS 4 Cb 0.33 -1.15 -0.17 0.00 -0.02 0.00 0.00 35.03 34.02 1vi8 n LYS 4 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1vi8 s ARG 5 N -1.11 1.46 0.25 1.97 0.52 -0.88 -4.88 118.95 116.28 1vi8 s ARG 5 Ca 0.11 -0.27 -0.28 0.00 -0.52 0.00 0.00 55.73 54.76 1vi8 s ARG 5 Cb 0.09 -1.40 -0.09 0.00 0.52 0.00 0.00 34.95 34.06 1vi8 s ARG 5 CO 0.19 -0.14 0.91 0.21 0.02 0.00 0.00 175.30 176.49 1vi8 s LYS 6 N 1.26 4.73 0.12 3.54 2.47 -1.26 -4.92 119.74 125.68 1vi8 s LYS 6 Ca -0.04 1.38 -0.15 0.00 -1.56 0.00 0.00 55.97 55.61 1vi8 s LYS 6 Cb -0.14 -3.13 0.03 0.00 -1.46 0.00 0.00 37.83 33.13 1vi8 s LYS 6 CO -0.03 0.45 0.37 -1.50 0.16 0.00 0.00 175.35 174.80 1vi8 s ILE 7 N -1.31 0.08 0.11 5.43 1.10 -1.26 -5.15 121.20 120.20 1vi8 s ILE 7 Ca 0.43 -0.70 0.09 0.00 -0.51 0.00 0.00 60.65 59.96 1vi8 s ILE 7 Cb -0.23 -1.23 -0.04 0.00 0.15 0.00 0.00 42.46 41.11 1vi8 s ILE 7 CO 0.29 -0.36 -0.17 0.42 -2.11 0.00 0.00 174.94 173.00 1vi8 s THR 8 N -3.82 2.89 0.29 4.00 -4.23 -1.26 -4.99 115.64 108.52 1vi8 s THR 8 Ca 0.04 -1.46 0.02 0.00 -1.18 0.00 0.00 61.69 59.11 1vi8 s THR 8 Cb 0.02 -2.32 0.29 0.00 1.34 0.00 0.00 72.50 71.83 1vi8 s THR 8 CO -0.11 0.12 1.84 0.17 -0.54 0.00 0.00 174.62 176.09 1vi8 h LEU 9 N 3.78 0.91 0.51 4.79 -0.00 -1.97 0.92 115.31 124.24 1vi8 h LEU 9 Ca -0.50 0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 57.41 1vi8 h LEU 9 Cb 1.17 -0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 41.69 1vi8 h LEU 9 CO 0.47 0.48 -0.30 -0.08 -0.00 0.00 0.00 178.44 179.00 1vi8 h GLU 10 N 0.97 -0.74 -0.25 0.17 4.22 -1.95 0.39 114.58 117.39 1vi8 h GLU 10 Ca 0.50 0.05 -0.10 0.00 0.08 0.00 0.00 59.36 59.89 1vi8 h GLU 10 Cb 0.51 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1vi8 h GLU 10 CO -0.26 -0.49 -0.27 0.00 -2.18 0.00 0.00 179.01 175.81 1vi8 h ALA 11 N -0.32 1.06 0.18 2.92 0.00 -1.75 -2.14 119.26 119.21 1vi8 h ALA 11 Ca -0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1vi8 h ALA 11 Cb 0.62 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1vi8 h ALA 11 CO 0.07 0.57 -0.09 1.25 0.00 0.00 0.00 179.25 181.06 1vi8 h LEU 12 N 0.44 -0.20 -2.04 0.00 5.85 0.10 -2.83 115.31 116.63 1vi8 h LEU 12 Ca 0.06 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.58 1vi8 h LEU 12 Cb 0.70 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 1vi8 h LEU 12 CO 0.05 0.13 0.08 0.78 -0.34 0.00 0.00 178.44 179.15 1vi8 h ASN 13 N -0.56 0.00 -0.33 1.25 2.35 -0.18 0.20 115.58 118.31 1vi8 h ASN 13 Ca -0.02 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.82 1vi8 h ASN 13 Cb 0.42 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 1vi8 h ASN 13 CO 0.04 0.00 0.27 0.00 -1.65 0.00 0.00 177.43 176.09 1vi8 h ALA 14 N 1.94 2.16 -0.82 -0.83 0.00 -1.12 -2.59 119.26 118.00 1vi8 h ALA 14 Ca 0.05 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.13 1vi8 h ALA 14 Cb 0.21 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 17.87 1vi8 h ALA 14 CO -0.00 -0.44 -0.07 0.52 0.00 0.00 0.00 179.25 179.26 1vi8 h MET 15 N 0.00 0.05 -3.15 0.00 2.86 -0.96 -2.76 114.93 110.96 1vi8 h MET 15 Ca 0.16 -0.00 -0.73 0.00 -2.06 0.00 0.00 59.70 57.06 1vi8 h MET 15 Cb 0.70 -0.01 -0.09 0.00 0.06 0.00 0.00 31.60 32.26 1vi8 h MET 15 CO -0.00 0.03 2.68 0.41 1.06 0.00 0.00 176.91 181.09 1vi8 n GLY 16 N -1.48 4.78 2.84 8.32 0.00 -0.97 -4.70 105.19 113.98 1vi8 n GLY 16 Ca 0.15 -1.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.00 1vi8 n GLY 16 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1vi8 n GLU 17 N 3.35 3.20 0.00 1.61 4.07 -1.04 -3.60 120.64 128.23 1vi8 n GLU 17 Ca 0.57 -4.83 0.00 0.00 -0.06 0.00 0.00 57.16 52.84 1vi8 n GLU 17 Cb 0.30 -2.25 0.00 0.00 -0.06 0.00 0.00 31.44 29.43 1vi8 n GLU 17 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1vi8 n GLY 18 N -0.04 -0.42 3.67 8.31 0.00 -1.26 -5.09 105.19 110.36 1vi8 n GLY 18 Ca 0.31 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 1vi8 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vi8 s ASN 19 N -0.03 3.86 0.30 1.61 2.20 -1.26 -5.01 114.94 116.61 1vi8 s ASN 19 Ca 0.00 -1.52 0.05 0.00 -0.94 0.00 0.00 52.86 50.45 1vi8 s ASN 19 Cb 0.00 0.10 0.80 0.00 -2.00 0.00 0.00 41.25 40.16 1vi8 s ASN 19 CO 0.00 -0.68 1.65 -0.03 -2.94 0.00 0.00 177.10 175.11 1vi8 h MET 20 N 1.59 0.25 -0.07 3.55 1.85 -1.98 0.20 114.93 120.32 1vi8 h MET 20 Ca -0.43 -0.01 0.02 0.00 -0.61 0.00 0.00 59.70 58.66 1vi8 h MET 20 Cb 1.28 -0.06 -0.00 0.00 0.43 0.00 0.00 31.60 33.25 1vi8 h MET 20 CO 0.76 0.16 0.13 0.28 -0.40 0.00 0.00 176.91 177.85 1vi8 h VAL 21 N 0.25 0.27 0.00 -5.77 2.07 -1.95 -1.76 116.25 109.36 1vi8 h VAL 21 Ca 0.60 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 68.02 1vi8 h VAL 21 Cb 1.24 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1vi8 h VAL 21 CO -0.63 0.00 -0.66 1.23 0.02 0.00 0.00 177.57 177.53 1vi8 h GLY 22 N 0.00 0.00 0.39 2.17 0.00 -0.66 -2.55 103.07 102.42 1vi8 h GLY 22 Ca 0.03 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.54 1vi8 h GLY 22 CO -0.00 0.00 0.64 0.27 0.00 0.00 0.00 176.54 177.45 1vi8 h PHE 23 N -1.00 0.00 -0.01 5.60 -0.00 -1.14 0.23 116.94 120.62 1vi8 h PHE 23 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.82 1vi8 h PHE 23 Cb 0.88 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.83 1vi8 h PHE 23 CO 0.05 0.00 -0.46 1.28 -0.00 0.00 0.00 178.31 179.18 1vi8 n LEU 24 N -3.64 1.41 -2.17 2.10 7.99 -0.70 -4.99 117.00 117.00 1vi8 n LEU 24 Ca 0.12 -0.48 -0.14 0.00 -0.01 0.00 0.00 56.01 55.50 1vi8 n LEU 24 Cb 0.86 -0.07 0.04 0.00 -0.11 0.00 0.00 43.42 44.14 1vi8 n LEU 24 CO 0.28 0.27 0.09 -0.67 -1.51 0.00 0.00 177.39 175.85 1vi8 n ASP 25 N -0.55 -4.51 -4.69 -1.43 4.64 0.81 -4.23 116.55 106.59 1vi8 n ASP 25 Ca 0.09 -0.26 -0.42 0.00 -1.38 0.00 0.00 54.79 52.83 1vi8 n ASP 25 Cb 0.40 -3.21 -0.03 0.00 -1.04 0.00 0.00 41.12 37.23 1vi8 n ASP 25 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1vi8 s ILE 26 N -3.08 4.85 -0.17 5.18 1.01 -0.96 -4.37 121.20 123.67 1vi8 s ILE 26 Ca 0.28 1.89 -0.00 0.00 0.00 0.00 0.00 60.65 62.81 1vi8 s ILE 26 Cb -0.12 -4.24 0.04 0.00 0.01 0.00 0.00 42.46 38.14 1vi8 s ILE 26 CO 0.35 0.07 -0.05 0.00 0.00 0.00 0.00 174.94 175.30 1vi8 s ARG 27 N 1.72 1.45 0.31 2.79 1.70 -0.72 -4.86 118.95 121.34 1vi8 s ARG 27 Ca 0.45 -0.53 -0.29 0.00 -0.47 0.00 0.00 55.73 54.89 1vi8 s ARG 27 Cb -0.18 -2.03 -0.10 0.00 -0.57 0.00 0.00 34.95 32.07 1vi8 s ARG 27 CO 0.18 -0.44 1.29 -0.06 -1.08 0.00 0.00 175.30 175.20 1vi8 s PHE 28 N 1.62 3.13 0.00 5.89 0.40 -1.26 -1.65 117.98 126.11 1vi8 s PHE 28 Ca 0.01 1.42 0.00 0.00 -0.60 0.00 0.00 56.93 57.75 1vi8 s PHE 28 Cb -0.15 -3.63 0.00 0.00 0.51 0.00 0.00 43.02 39.75 1vi8 s PHE 28 CO -0.08 -1.73 0.16 0.39 0.70 0.00 0.00 175.22 174.67 1vi8 n GLU 29 N 1.09 1.32 -3.75 0.44 1.02 -0.82 -4.91 120.64 115.03 1vi8 n GLU 29 Ca 0.01 -0.16 -0.12 0.00 -0.02 0.00 0.00 57.16 56.86 1vi8 n GLU 29 Cb 0.42 -0.57 -0.08 0.00 -0.02 0.00 0.00 31.44 31.19 1vi8 n GLU 29 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1vi8 s HIS 30 N -0.24 -0.16 -0.46 -0.32 2.46 -1.23 -4.98 115.29 110.37 1vi8 s HIS 30 Ca 0.00 0.13 0.06 0.00 0.47 0.00 0.00 55.06 55.72 1vi8 s HIS 30 Cb 0.00 0.11 0.20 0.00 -0.13 0.00 0.00 32.58 32.76 1vi8 s HIS 30 CO 0.00 -0.46 0.59 -0.89 -2.47 0.00 0.00 174.74 171.51 1vi8 n ILE 31 N 0.86 -0.52 -0.64 0.89 5.41 -1.26 -2.71 119.36 121.39 1vi8 n ILE 31 Ca -0.20 -2.36 0.00 0.00 1.00 0.00 0.00 62.75 61.19 1vi8 n ILE 31 Cb 0.58 -0.26 0.00 0.00 -0.71 0.00 0.00 39.64 39.25 1vi8 n ILE 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1vi8 n GLY 32 N 2.45 -1.57 0.20 7.39 0.00 -0.36 -4.93 105.19 108.36 1vi8 n GLY 32 Ca 0.21 -1.57 0.06 0.00 0.00 0.00 0.00 46.02 44.71 1vi8 n GLY 32 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1vi8 h ASP 33 N -0.32 0.00 0.00 1.61 3.45 -2.01 -3.35 116.42 115.81 1vi8 h ASP 33 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1vi8 h ASP 33 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1vi8 h ASP 33 CO 0.00 0.32 -0.36 -0.90 -1.57 0.00 0.00 179.24 176.73 1vi8 n ASP 34 N -3.75 0.00 -3.94 6.45 3.85 -1.25 -1.47 116.55 116.45 1vi8 n ASP 34 Ca -0.01 -1.73 -0.10 0.00 -0.71 0.00 0.00 54.79 52.24 1vi8 n ASP 34 Cb 0.42 -0.15 -0.11 0.00 -1.35 0.00 0.00 41.12 39.94 1vi8 n ASP 34 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 1vi8 s THR 35 N 0.00 0.10 -0.11 2.12 -4.23 -1.26 -4.30 115.64 107.97 1vi8 s THR 35 Ca 0.00 -0.85 -0.02 0.00 -1.18 0.00 0.00 61.69 59.64 1vi8 s THR 35 Cb 0.00 -0.35 0.04 0.00 1.34 0.00 0.00 72.50 73.53 1vi8 s THR 35 CO 0.00 -0.46 0.02 -0.22 -0.54 0.00 0.00 174.62 173.42 1vi8 s LEU 36 N -1.46 0.69 0.26 4.79 2.96 -0.49 -1.23 118.68 124.20 1vi8 s LEU 36 Ca -0.15 -0.30 0.08 0.00 -0.22 0.00 0.00 54.13 53.54 1vi8 s LEU 36 Cb -0.09 -0.44 -0.04 0.00 0.50 0.00 0.00 46.19 46.12 1vi8 s LEU 36 CO -0.00 -0.24 0.15 -1.61 -1.32 0.00 0.00 176.35 173.33 1vi8 s GLU 37 N 1.97 2.73 -0.29 1.98 2.02 -1.10 -1.55 118.70 124.45 1vi8 s GLU 37 Ca 0.03 -1.18 -0.16 0.00 0.02 0.00 0.00 54.97 53.68 1vi8 s GLU 37 Cb -0.14 -2.44 0.16 0.00 0.10 0.00 0.00 34.13 31.81 1vi8 s GLU 37 CO -0.06 0.36 1.02 0.00 0.02 0.00 0.00 175.26 176.60 1vi8 s ALA 38 N -2.21 -2.36 0.28 5.21 0.00 -1.16 -1.94 121.76 119.58 1vi8 s ALA 38 Ca 0.33 2.16 0.02 0.00 0.00 0.00 0.00 51.96 54.48 1vi8 s ALA 38 Cb -0.07 -1.77 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 1vi8 s ALA 38 CO 0.24 -0.38 0.45 0.95 0.00 0.00 0.00 175.76 177.02 1vi8 s THR 39 N 1.36 5.18 0.02 0.00 -4.23 -0.66 -2.27 115.64 115.03 1vi8 s THR 39 Ca -0.09 -0.65 0.01 0.00 -1.18 0.00 0.00 61.69 59.79 1vi8 s THR 39 Cb -0.04 -3.84 -0.02 0.00 1.34 0.00 0.00 72.50 69.95 1vi8 s THR 39 CO -0.14 -0.42 -0.05 -0.32 -0.54 0.00 0.00 174.62 173.15 1vi8 s MET 40 N -4.04 0.41 -0.02 3.99 0.00 -0.01 -1.75 119.30 117.87 1vi8 s MET 40 Ca 0.37 -0.50 -0.29 0.00 0.00 0.00 0.00 55.69 55.28 1vi8 s MET 40 Cb -0.10 -0.23 -0.03 0.00 0.00 0.00 0.00 34.83 34.48 1vi8 s MET 40 CO 0.32 0.04 0.92 -1.25 0.00 0.00 0.00 175.02 175.06 1vi8 s PRO 41 N -1.00 4.52 -1.20 4.11 0.04 -1.26 -0.97 135.00 139.24 1vi8 s PRO 41 Ca -0.07 1.30 -0.11 0.00 0.04 0.00 0.00 61.00 62.16 1vi8 s PRO 41 Cb -0.07 -3.46 0.20 0.00 0.04 0.00 0.00 34.50 31.21 1vi8 s PRO 41 CO -0.00 -0.05 1.46 0.28 0.04 0.00 0.00 177.00 178.73 1vi8 n VAL 42 N 3.93 4.41 -4.11 -0.36 0.31 -0.54 -4.52 118.33 117.46 1vi8 n VAL 42 Ca 0.05 -4.88 -0.06 0.00 -0.01 0.00 0.00 64.34 59.43 1vi8 n VAL 42 Cb 0.51 -2.44 -0.02 0.00 -0.91 0.00 0.00 33.84 30.98 1vi8 n VAL 42 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1vi8 n ASP 43 N 4.42 0.66 -0.60 4.52 5.75 -1.26 -4.50 116.55 125.54 1vi8 n ASP 43 Ca 0.34 -1.53 0.48 0.00 -0.01 0.00 0.00 54.79 54.06 1vi8 n ASP 43 Cb 0.40 0.30 0.78 0.00 -1.03 0.00 0.00 41.12 41.57 1vi8 n ASP 43 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1vi8 h SER 44 N 0.43 0.05 0.43 -1.12 4.64 -1.93 0.44 113.55 116.49 1vi8 h SER 44 Ca -0.07 0.03 -0.17 0.00 -0.47 0.00 0.00 61.79 61.11 1vi8 h SER 44 Cb 0.30 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1vi8 h SER 44 CO 0.11 -0.05 -0.71 0.03 -0.87 0.00 0.00 176.83 175.34 1vi8 h ARG 45 N 0.01 0.24 -0.27 4.77 3.08 -1.95 -3.33 114.38 116.94 1vi8 h ARG 45 Ca 0.87 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.72 1vi8 h ARG 45 Cb 3.33 0.04 0.00 0.00 0.08 0.00 0.00 29.97 33.42 1vi8 h ARG 45 CO -0.11 0.86 0.00 0.25 -1.07 0.00 0.00 179.97 179.90 1vi8 n THR 46 N -3.79 0.96 -3.94 2.04 -2.24 0.14 -5.03 114.28 102.42 1vi8 n THR 46 Ca -0.03 -0.98 -0.25 0.00 -2.27 0.00 0.00 64.05 60.53 1vi8 n THR 46 Cb 0.69 0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 69.43 1vi8 n THR 46 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1vi8 s LYS 47 N -0.99 3.44 0.63 -0.78 1.02 -0.47 0.07 119.74 122.67 1vi8 s LYS 47 Ca 0.18 -0.63 0.03 0.00 0.02 0.00 0.00 55.97 55.56 1vi8 s LYS 47 Cb 0.10 -2.94 0.09 0.00 -0.52 0.00 0.00 37.83 34.56 1vi8 s LYS 47 CO 0.13 0.49 0.87 1.14 -0.92 0.00 0.00 175.35 177.06 1vi8 s GLN 48 N -3.47 2.08 0.00 1.68 1.03 -0.16 -4.66 119.66 116.16 1vi8 s GLN 48 Ca 0.35 -1.17 0.00 0.00 0.04 0.00 0.00 55.36 54.58 1vi8 s GLN 48 Cb -0.10 -2.46 0.00 0.00 0.03 0.00 0.00 33.01 30.47 1vi8 s GLN 48 CO 0.29 -1.08 0.53 -2.30 -2.54 0.00 0.00 175.29 170.18 1vi8 n PRO 49 N -2.53 0.00 -0.09 9.60 -0.02 -1.26 -1.23 135.00 139.46 1vi8 n PRO 49 Ca 0.13 0.14 0.05 0.00 -2.02 0.00 0.00 63.50 61.80 1vi8 n PRO 49 Cb 0.60 -1.62 0.09 0.00 -0.02 0.00 0.00 33.50 32.55 1vi8 n PRO 49 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1vi8 n PHE 50 N -1.03 0.16 -0.77 6.00 3.72 -1.26 -5.00 117.46 119.29 1vi8 n PHE 50 Ca 0.00 -0.69 0.00 0.00 -0.05 0.00 0.00 57.45 56.71 1vi8 n PHE 50 Cb 0.12 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 1vi8 n PHE 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1vi8 n GLY 51 N -0.63 1.11 4.00 1.37 0.00 -0.36 -5.04 105.19 105.63 1vi8 n GLY 51 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 1vi8 n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vi8 s LEU 52 N 0.00 3.75 0.24 0.99 1.43 -1.26 -4.78 118.68 119.05 1vi8 s LEU 52 Ca 0.00 -0.28 -0.31 0.00 -1.03 0.00 0.00 54.13 52.51 1vi8 s LEU 52 Cb 0.00 -2.73 -0.12 0.00 0.03 0.00 0.00 46.19 43.37 1vi8 s LEU 52 CO 0.00 -0.66 1.67 -0.22 0.23 0.00 0.00 176.35 177.37 1vi8 s LEU 53 N -4.32 4.36 0.18 1.79 2.96 -0.23 -0.98 118.68 122.44 1vi8 s LEU 53 Ca 0.51 2.89 -0.30 0.00 -0.22 0.00 0.00 54.13 57.01 1vi8 s LEU 53 Cb -0.10 -3.61 -0.08 0.00 0.50 0.00 0.00 46.19 42.90 1vi8 s LEU 53 CO 0.33 -0.94 1.10 -2.28 -1.32 0.00 0.00 176.35 173.23 1vi8 s HIS 54 N 0.72 3.60 0.46 5.38 5.65 0.11 -4.65 115.29 126.56 1vi8 s HIS 54 Ca 0.70 1.61 0.15 0.00 0.25 0.00 0.00 55.06 57.77 1vi8 s HIS 54 Cb -0.49 -3.27 1.11 0.00 -1.18 0.00 0.00 32.58 28.75 1vi8 s HIS 54 CO 0.38 -0.59 2.03 0.78 -0.65 0.00 0.00 174.74 176.68 1vi8 h GLY 55 N 5.05 0.38 2.00 1.59 0.00 -1.92 0.49 103.07 110.66 1vi8 h GLY 55 Ca -0.44 -0.12 -0.10 0.00 0.00 0.00 0.00 47.33 46.67 1vi8 h GLY 55 CO 0.72 0.08 -0.47 -1.33 0.00 0.00 0.00 176.54 175.55 1vi8 h GLY 56 N 0.29 0.00 1.12 4.60 0.00 -1.95 -2.34 103.07 104.80 1vi8 h GLY 56 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.40 1vi8 h GLY 56 CO -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 176.54 176.29 1vi8 h ALA 57 N 1.53 0.70 -0.76 3.60 0.00 -1.21 0.25 119.26 123.38 1vi8 h ALA 57 Ca -0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1vi8 h ALA 57 Cb 0.93 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1vi8 h ALA 57 CO 0.06 0.68 0.42 0.77 0.00 0.00 0.00 179.25 181.18 1vi8 h SER 58 N 0.86 0.94 0.21 0.00 0.02 -1.14 -1.24 113.55 113.19 1vi8 h SER 58 Ca 0.11 -0.09 -0.19 0.00 -0.84 0.00 0.00 61.79 60.79 1vi8 h SER 58 Cb 0.79 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.09 1vi8 h SER 58 CO 0.07 0.75 -0.72 0.58 -1.14 0.00 0.00 176.83 176.37 1vi8 h VAL 59 N 1.04 1.36 -0.86 2.27 2.07 -1.10 -1.58 116.25 119.45 1vi8 h VAL 59 Ca 0.27 -2.10 0.01 0.00 0.82 0.00 0.00 66.70 65.70 1vi8 h VAL 59 Cb 0.02 2.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 1vi8 h VAL 59 CO -0.04 0.63 0.57 0.58 0.02 0.00 0.00 177.57 179.33 1vi8 h VAL 60 N 0.31 1.22 0.23 2.57 2.07 -0.19 0.45 116.25 122.91 1vi8 h VAL 60 Ca -0.03 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1vi8 h VAL 60 Cb 1.29 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1vi8 h VAL 60 CO 0.13 0.21 -0.11 0.25 0.02 0.00 0.00 177.57 178.07 1vi8 h LEU 61 N 1.17 -0.26 0.10 2.57 5.85 -1.07 -0.91 115.31 122.76 1vi8 h LEU 61 Ca 0.32 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.93 1vi8 h LEU 61 Cb -0.14 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1vi8 h LEU 61 CO -0.07 -0.04 -0.49 0.00 -0.34 0.00 0.00 178.44 177.50 1vi8 h ALA 62 N 0.26 -0.96 -0.02 1.25 0.00 -0.93 -0.61 119.26 118.25 1vi8 h ALA 62 Ca -0.03 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1vi8 h ALA 62 Cb 0.36 0.87 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1vi8 h ALA 62 CO 0.05 -1.08 0.03 1.49 0.00 0.00 0.00 179.25 179.74 1vi8 h GLU 63 N -0.69 0.00 0.22 0.00 4.81 -0.92 0.56 114.58 118.56 1vi8 h GLU 63 Ca -0.01 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 1vi8 h GLU 63 Cb 0.70 0.00 0.04 0.00 0.63 0.00 0.00 28.75 30.11 1vi8 h GLU 63 CO -0.27 0.00 -1.43 0.77 -0.73 0.00 0.00 179.01 177.35 1vi8 h SER 64 N 0.00 0.87 0.55 1.04 0.02 -0.38 -2.38 113.55 113.26 1vi8 h SER 64 Ca 0.01 -0.89 -0.18 0.00 -0.84 0.00 0.00 61.79 59.89 1vi8 h SER 64 Cb 0.07 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 1vi8 h SER 64 CO -0.00 1.69 -0.79 0.40 -1.14 0.00 0.00 176.83 176.99 1vi8 h ILE 65 N 0.18 1.47 -0.10 3.27 2.04 -0.38 -3.11 117.51 120.89 1vi8 h ILE 65 Ca -0.24 -2.45 -0.23 0.00 1.00 0.00 0.00 64.86 62.93 1vi8 h ILE 65 Cb 2.11 2.34 0.01 0.00 -0.74 0.00 0.00 36.82 40.54 1vi8 h ILE 65 CO 0.27 0.71 -0.85 1.23 0.00 0.00 0.00 178.15 179.51 1vi8 h GLY 66 N 1.80 0.78 0.78 5.37 0.00 -1.00 -1.79 103.07 109.01 1vi8 h GLY 66 Ca -0.03 -1.18 0.03 0.00 0.00 0.00 0.00 47.33 46.15 1vi8 h GLY 66 CO 0.12 1.05 0.16 1.76 0.00 0.00 0.00 176.54 179.62 1vi8 h SER 67 N 0.46 0.21 -0.17 0.19 0.02 -1.47 -0.58 113.55 112.20 1vi8 h SER 67 Ca -0.07 0.03 -0.19 0.00 -0.84 0.00 0.00 61.79 60.71 1vi8 h SER 67 Cb 1.48 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.01 1vi8 h SER 67 CO 0.17 0.16 -0.60 1.62 -1.14 0.00 0.00 176.83 177.04 1vi8 h VAL 68 N 0.33 1.29 -0.40 2.27 3.04 -1.57 -2.07 116.25 119.14 1vi8 h VAL 68 Ca 0.15 -1.81 0.00 0.00 -1.01 0.00 0.00 66.70 64.04 1vi8 h VAL 68 Cb 0.09 1.74 -0.02 0.00 -2.01 0.00 0.00 31.29 31.09 1vi8 h VAL 68 CO -0.13 0.58 0.26 0.00 -1.01 0.00 0.00 177.57 177.27 1vi8 h ALA 69 N 0.73 0.50 -0.83 3.17 0.00 -1.14 -0.63 119.26 121.06 1vi8 h ALA 69 Ca -0.00 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1vi8 h ALA 69 Cb 1.20 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1vi8 h ALA 69 CO 0.13 -0.03 0.54 0.78 0.00 0.00 0.00 179.25 180.66 1vi8 h GLY 70 N 0.53 1.21 0.97 0.00 0.00 -1.04 -2.52 103.07 102.21 1vi8 h GLY 70 Ca 0.14 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 1vi8 h GLY 70 CO -0.03 0.35 0.12 -1.82 0.00 0.00 0.00 176.54 175.16 1vi8 h TYR 71 N 1.05 0.81 0.00 5.60 3.20 -0.95 -2.13 116.97 124.55 1vi8 h TYR 71 Ca 0.33 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 62.10 1vi8 h TYR 71 Cb -0.00 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.04 1vi8 h TYR 71 CO -0.02 0.73 0.00 1.28 -1.64 0.00 0.00 178.16 178.51 1vi8 n LEU 72 N -4.48 0.06 -1.39 2.82 4.77 -0.28 -1.75 117.00 116.75 1vi8 n LEU 72 Ca 0.01 0.52 0.08 0.00 -0.03 0.00 0.00 56.01 56.59 1vi8 n LEU 72 Cb 0.22 -0.52 0.33 0.00 -2.33 0.00 0.00 43.42 41.12 1vi8 n LEU 72 CO 0.39 -0.39 0.79 0.00 -1.33 0.00 0.00 177.39 176.85 1vi8 n THR 74 N 0.24 0.00 -4.01 0.00 -2.24 -0.72 -4.78 114.28 102.78 1vi8 n THR 74 Ca 0.24 -2.27 -0.10 0.00 -2.27 0.00 0.00 64.05 59.66 1vi8 n THR 74 Cb 1.00 0.59 -0.07 0.00 -2.10 0.00 0.00 70.33 69.74 1vi8 n THR 74 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1vi8 s GLU 75 N -3.64 1.18 7.83 -0.78 -1.05 -1.26 -4.38 118.70 116.60 1vi8 s GLU 75 Ca 0.07 -1.25 0.00 0.00 -0.15 0.00 0.00 54.97 53.64 1vi8 s GLU 75 Cb 0.00 0.36 0.00 0.00 -0.44 0.00 0.00 34.13 34.06 1vi8 s GLU 75 CO 0.05 -0.43 0.00 0.41 0.95 0.00 0.00 175.26 176.24 1vi8 n GLY 76 N -0.23 3.36 0.77 -3.83 0.00 -1.26 -2.15 105.19 101.86 1vi8 n GLY 76 Ca -0.06 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 45.93 1vi8 n GLY 76 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vi8 n GLU 77 N 13.82 2.02 -0.78 1.61 -0.58 -1.26 -4.95 120.64 130.51 1vi8 n GLU 77 Ca 0.00 -1.53 -0.31 0.00 -0.42 0.00 0.00 57.16 54.90 1vi8 n GLU 77 Cb 0.00 -1.44 0.16 0.00 -0.57 0.00 0.00 31.44 29.59 1vi8 n GLU 77 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1vi8 s GLN 78 N -1.71 1.16 0.11 3.49 -0.21 -0.91 -4.85 119.66 116.73 1vi8 s GLN 78 Ca 0.34 1.47 -0.14 0.00 0.02 0.00 0.00 55.36 57.05 1vi8 s GLN 78 Cb 0.19 -1.75 0.03 0.00 1.00 0.00 0.00 33.01 32.48 1vi8 s GLN 78 CO 0.28 -2.51 0.35 0.15 -2.12 0.00 0.00 175.29 171.44 1vi8 s LYS 79 N -4.69 1.00 0.04 2.91 1.02 0.17 -4.79 119.74 115.41 1vi8 s LYS 79 Ca 0.66 -0.75 0.07 0.00 0.02 0.00 0.00 55.97 55.97 1vi8 s LYS 79 Cb -0.22 0.43 -0.03 0.00 -0.52 0.00 0.00 37.83 37.49 1vi8 s LYS 79 CO 0.58 -0.37 -0.16 0.14 -0.92 0.00 0.00 175.35 174.62 1vi8 s VAL 80 N -3.72 2.97 -0.07 3.17 -7.23 -1.26 0.84 120.40 115.10 1vi8 s VAL 80 Ca 0.03 -1.15 0.04 0.00 -1.81 0.00 0.00 61.98 59.09 1vi8 s VAL 80 Cb 0.02 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.69 1vi8 s VAL 80 CO -0.11 0.32 -0.18 0.68 -0.31 0.00 0.00 175.10 175.50 1vi8 s VAL 81 N -0.97 1.54 0.19 1.32 -7.23 0.25 -4.93 120.40 110.58 1vi8 s VAL 81 Ca 0.16 -0.74 -0.30 0.00 -1.81 0.00 0.00 61.98 59.28 1vi8 s VAL 81 Cb -0.11 -1.35 -0.09 0.00 0.56 0.00 0.00 36.38 35.40 1vi8 s VAL 81 CO 0.07 0.44 1.32 -0.83 -0.31 0.00 0.00 175.10 175.79 1vi8 s GLY 82 N 0.33 2.41 -0.14 2.32 0.00 -1.26 -0.35 107.32 110.62 1vi8 s GLY 82 Ca -0.12 1.12 -0.10 0.00 0.00 0.00 0.00 44.72 45.62 1vi8 s GLY 82 CO 0.05 2.11 -0.23 1.04 0.00 0.00 0.00 173.10 176.06 1vi8 n LEU 83 N 2.74 1.43 -3.90 0.66 4.77 0.52 -4.89 117.00 118.33 1vi8 n LEU 83 Ca 0.07 0.24 -0.11 0.00 -0.03 0.00 0.00 56.01 56.18 1vi8 n LEU 83 Cb 0.43 -0.56 -0.11 0.00 -2.33 0.00 0.00 43.42 40.84 1vi8 n LEU 83 CO 0.58 0.06 -0.28 -0.70 -1.33 0.00 0.00 177.39 175.72 1vi8 s GLU 84 N -2.44 0.28 -0.03 3.23 -6.30 -1.13 -5.01 118.70 107.30 1vi8 s GLU 84 Ca -0.23 -0.29 -0.03 0.00 -2.50 0.00 0.00 54.97 51.91 1vi8 s GLU 84 Cb 0.07 0.11 0.01 0.00 0.00 0.00 0.00 34.13 34.32 1vi8 s GLU 84 CO 0.31 -0.05 0.09 -1.50 0.02 0.00 0.00 175.26 174.13 1vi8 s ILE 85 N -0.90 0.01 0.01 -3.70 2.07 -1.26 -0.67 121.20 116.76 1vi8 s ILE 85 Ca -0.10 -0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.06 1vi8 s ILE 85 Cb -0.06 -0.17 -0.01 0.00 0.13 0.00 0.00 42.46 42.35 1vi8 s ILE 85 CO 0.00 -0.04 -0.02 0.54 -1.91 0.00 0.00 174.94 173.50 1vi8 s ASN 86 N -0.10 0.22 -0.02 4.50 2.20 -0.68 -4.99 114.94 116.08 1vi8 s ASN 86 Ca -0.02 -0.32 -0.09 0.00 -0.94 0.00 0.00 52.86 51.50 1vi8 s ASN 86 Cb -0.01 0.05 0.01 0.00 -2.00 0.00 0.00 41.25 39.30 1vi8 s ASN 86 CO 0.00 -0.18 0.19 0.00 -2.94 0.00 0.00 177.10 174.17 1vi8 s ALA 87 N -0.91 -0.47 -0.21 3.54 0.00 -1.26 -1.14 121.76 121.31 1vi8 s ALA 87 Ca -0.09 0.11 0.01 0.00 0.00 0.00 0.00 51.96 51.98 1vi8 s ALA 87 Cb -0.06 0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.12 1vi8 s ALA 87 CO -0.01 -0.20 -0.11 1.21 0.00 0.00 0.00 175.76 176.66 1vi8 s ASN 88 N -1.09 3.54 -0.61 0.00 3.84 0.08 -4.98 114.94 115.73 1vi8 s ASN 88 Ca -0.12 -0.96 -0.26 0.00 0.21 0.00 0.00 52.86 51.73 1vi8 s ASN 88 Cb -0.06 -1.28 0.04 0.00 -0.55 0.00 0.00 41.25 39.40 1vi8 s ASN 88 CO 0.02 -0.15 1.10 -1.00 -2.79 0.00 0.00 177.10 174.28 1vi8 s HIS 89 N 1.35 2.61 -1.07 0.43 3.76 -1.26 -2.63 115.29 118.48 1vi8 s HIS 89 Ca -0.02 0.08 0.20 0.00 -0.15 0.00 0.00 55.06 55.17 1vi8 s HIS 89 Cb -0.17 -4.37 -0.19 0.00 1.11 0.00 0.00 32.58 28.96 1vi8 s HIS 89 CO -0.08 -1.62 0.88 1.33 -0.85 0.00 0.00 174.74 174.40 1vi8 n VAL 90 N 6.38 0.00 -3.64 -0.90 0.24 -0.82 -4.97 118.33 114.63 1vi8 n VAL 90 Ca 0.04 -0.06 -0.11 0.00 -2.04 0.00 0.00 64.34 62.17 1vi8 n VAL 90 Cb 0.48 1.03 -0.07 0.00 -1.47 0.00 0.00 33.84 33.81 1vi8 n VAL 90 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1vi8 s ARG 91 N -2.83 0.64 0.67 7.34 3.52 -1.02 -4.96 118.95 122.31 1vi8 s ARG 91 Ca 0.09 0.78 -0.07 0.00 -0.13 0.00 0.00 55.73 56.40 1vi8 s ARG 91 Cb 0.15 0.30 0.04 0.00 -1.56 0.00 0.00 34.95 33.89 1vi8 s ARG 91 CO 0.79 -0.08 0.98 -1.54 -0.81 0.00 0.00 175.30 174.64 1vi8 s SER 92 N 0.38 5.09 -0.09 -2.12 1.04 -1.26 -4.56 113.70 112.17 1vi8 s SER 92 Ca 0.01 0.58 -0.12 0.00 0.48 0.00 0.00 55.95 56.90 1vi8 s SER 92 Cb -0.05 -1.34 0.03 0.00 0.10 0.00 0.00 66.02 64.76 1vi8 s SER 92 CO -0.04 -1.42 0.31 0.00 0.98 0.00 0.00 173.24 173.08 1vi8 s ALA 93 N -3.17 -0.78 0.00 5.32 0.00 -1.26 -4.99 121.76 116.87 1vi8 s ALA 93 Ca 0.58 0.73 0.00 0.00 0.00 0.00 0.00 51.96 53.27 1vi8 s ALA 93 Cb -0.11 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.65 1vi8 s ALA 93 CO 0.45 -0.18 0.07 2.89 0.00 0.00 0.00 175.76 178.99 1vi8 n ARG 94 N 2.45 3.15 -3.79 0.00 1.85 -1.26 -1.07 116.66 117.99 1vi8 n ARG 94 Ca -0.15 -0.07 -0.10 0.00 -1.00 0.00 0.00 57.85 56.53 1vi8 n ARG 94 Cb 0.57 -0.42 -0.06 0.00 -1.05 0.00 0.00 32.46 31.50 1vi8 n ARG 94 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 1vi8 s GLU 95 N -0.47 1.03 3.90 2.89 -1.05 -1.26 -4.91 118.70 118.83 1vi8 s GLU 95 Ca 0.00 -0.91 0.00 0.00 -0.15 0.00 0.00 54.97 53.91 1vi8 s GLU 95 Cb 0.00 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 34.10 1vi8 s GLU 95 CO 0.00 -0.38 0.00 0.41 0.95 0.00 0.00 175.26 176.24 1vi8 n GLY 96 N -0.17 0.35 3.12 -3.83 0.00 -1.26 -4.78 105.19 98.61 1vi8 n GLY 96 Ca -0.13 -0.94 -0.24 0.00 0.00 0.00 0.00 46.02 44.71 1vi8 n GLY 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vi8 s ARG 97 N 0.00 1.35 -0.10 1.61 0.52 -1.26 -1.46 118.95 119.61 1vi8 s ARG 97 Ca 0.00 -0.55 -0.09 0.00 -0.52 0.00 0.00 55.73 54.57 1vi8 s ARG 97 Cb 0.00 -1.27 -0.04 0.00 0.52 0.00 0.00 34.95 34.16 1vi8 s ARG 97 CO 0.00 0.30 0.21 0.14 0.02 0.00 0.00 175.30 175.96 1vi8 s VAL 98 N -0.23 5.39 -0.12 3.52 -7.23 -0.15 -3.53 120.40 118.05 1vi8 s VAL 98 Ca 0.03 0.36 -0.02 0.00 -1.81 0.00 0.00 61.98 60.55 1vi8 s VAL 98 Cb -0.07 -3.49 -0.03 0.00 0.56 0.00 0.00 36.38 33.35 1vi8 s VAL 98 CO 0.00 0.59 -0.05 -0.60 -0.31 0.00 0.00 175.10 174.72 1vi8 s ARG 99 N -0.86 3.34 -0.21 4.82 3.52 -0.21 -0.83 118.95 128.51 1vi8 s ARG 99 Ca 0.16 -0.54 -0.04 0.00 -0.13 0.00 0.00 55.73 55.19 1vi8 s ARG 99 Cb -0.13 -2.78 -0.01 0.00 -1.56 0.00 0.00 34.95 30.47 1vi8 s ARG 99 CO 0.06 0.38 -0.05 0.20 -0.81 0.00 0.00 175.30 175.08 1vi8 s GLY 100 N -0.04 1.60 -0.37 8.12 0.00 -0.96 0.41 107.32 116.08 1vi8 s GLY 100 Ca 0.01 -1.14 -0.12 0.00 0.00 0.00 0.00 44.72 43.47 1vi8 s GLY 100 CO 0.03 0.37 0.22 0.14 0.00 0.00 0.00 173.10 173.86 1vi8 s VAL 101 N 1.36 4.76 -0.25 1.40 1.01 0.60 -2.99 120.40 126.30 1vi8 s VAL 101 Ca 0.04 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 1vi8 s VAL 101 Cb -0.14 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1vi8 s VAL 101 CO -0.03 -0.19 0.16 0.00 0.00 0.00 0.00 175.10 175.04 1vi8 s LYS 103 N 1.17 0.68 0.35 0.00 -2.85 -0.65 -1.39 119.74 117.04 1vi8 s LYS 103 Ca 0.07 -1.06 -0.24 0.00 -1.00 0.00 0.00 55.97 53.74 1vi8 s LYS 103 Cb -0.14 -0.21 -0.10 0.00 -2.06 0.00 0.00 37.83 35.32 1vi8 s LYS 103 CO 0.05 0.00 0.93 -1.25 0.10 0.00 0.00 175.35 175.19 1vi8 s PRO 104 N -2.82 4.45 -0.17 1.78 0.04 -1.26 -0.84 135.00 136.18 1vi8 s PRO 104 Ca 0.02 1.23 0.10 0.00 0.04 0.00 0.00 61.00 62.38 1vi8 s PRO 104 Cb -0.01 -2.61 -0.17 0.00 0.04 0.00 0.00 34.50 31.74 1vi8 s PRO 104 CO -0.03 0.19 -0.02 1.28 0.04 0.00 0.00 177.00 178.46 1vi8 n LEU 105 N 0.19 1.00 -3.65 -3.56 4.77 0.12 -4.84 117.00 111.03 1vi8 n LEU 105 Ca 0.03 -0.04 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1vi8 n LEU 105 Cb 0.51 0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.55 1vi8 n LEU 105 CO 0.42 0.53 0.28 -2.28 -1.33 0.00 0.00 177.39 175.02 1vi8 s HIS 106 N -2.38 -0.97 -0.63 -1.77 5.04 -0.98 -4.97 115.29 108.63 1vi8 s HIS 106 Ca -0.14 1.95 0.01 0.00 -1.54 0.00 0.00 55.06 55.34 1vi8 s HIS 106 Cb 0.05 0.56 0.16 0.00 0.04 0.00 0.00 32.58 33.39 1vi8 s HIS 106 CO 0.58 -0.49 0.42 -0.51 -2.34 0.00 0.00 174.74 172.40 1vi8 s LEU 107 N 1.62 4.90 0.00 8.88 1.43 -1.26 -0.90 118.68 133.34 1vi8 s LEU 107 Ca -0.10 -3.14 -0.02 0.00 -1.03 0.00 0.00 54.13 49.84 1vi8 s LEU 107 Cb -0.06 -1.76 0.03 0.00 0.03 0.00 0.00 46.19 44.43 1vi8 s LEU 107 CO -0.18 -0.26 0.19 0.61 0.23 0.00 0.00 176.35 176.94 1vi8 n GLY 108 N 3.02 -0.62 0.02 -3.19 0.00 -0.41 -5.00 105.19 99.00 1vi8 n GLY 108 Ca 0.10 -1.76 0.11 0.00 0.00 0.00 0.00 46.02 44.47 1vi8 n GLY 108 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vi8 n SER 109 N -3.09 0.41 -0.01 1.61 3.41 -1.26 -4.50 113.62 110.19 1vi8 n SER 109 Ca 0.03 -0.27 -0.01 0.00 -0.26 0.00 0.00 58.87 58.36 1vi8 n SER 109 Cb 0.09 1.45 -0.01 0.00 -0.26 0.00 0.00 64.21 65.47 1vi8 n SER 109 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1vi8 n ARG 110 N -2.04 3.42 -4.03 4.33 1.74 -1.26 -4.85 116.66 113.98 1vi8 n ARG 110 Ca -0.01 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.99 1vi8 n ARG 110 Cb 0.48 -1.05 -0.10 0.00 -1.02 0.00 0.00 32.46 30.78 1vi8 n ARG 110 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1vi8 s HIS 111 N -2.04 0.39 0.09 -1.55 3.76 -1.26 0.16 115.29 114.83 1vi8 s HIS 111 Ca -0.01 -0.83 0.04 0.00 -0.15 0.00 0.00 55.06 54.10 1vi8 s HIS 111 Cb 0.01 -0.29 -0.03 0.00 1.11 0.00 0.00 32.58 33.37 1vi8 s HIS 111 CO 0.07 -0.35 -0.10 -0.65 -0.85 0.00 0.00 174.74 172.86 1vi8 s GLN 112 N -3.17 0.83 -0.10 1.40 -0.21 -0.63 -1.28 119.66 116.49 1vi8 s GLN 112 Ca -0.00 -1.12 -0.00 0.00 0.02 0.00 0.00 55.36 54.26 1vi8 s GLN 112 Cb 0.02 -0.55 0.02 0.00 1.00 0.00 0.00 33.01 33.51 1vi8 s GLN 112 CO -0.07 0.09 -0.06 0.08 -2.12 0.00 0.00 175.29 173.21 1vi8 s VAL 113 N -2.27 0.86 0.01 1.09 1.01 -0.08 -0.78 120.40 120.24 1vi8 s VAL 113 Ca 0.04 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.88 1vi8 s VAL 113 Cb -0.04 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 1vi8 s VAL 113 CO 0.00 0.34 -0.14 0.26 0.00 0.00 0.00 175.10 175.55 1vi8 s TRP 114 N 1.66 2.67 -0.20 5.22 0.52 0.09 0.14 118.94 129.05 1vi8 s TRP 114 Ca 0.03 -0.18 -0.03 0.00 0.02 0.00 0.00 56.10 55.94 1vi8 s TRP 114 Cb -0.13 -1.54 -0.01 0.00 -1.15 0.00 0.00 33.47 30.64 1vi8 s TRP 114 CO -0.06 0.26 -0.07 -1.14 0.02 0.00 0.00 176.95 175.96 1vi8 s GLN 115 N -1.25 3.37 -0.26 4.98 0.74 -0.02 -0.62 119.66 126.60 1vi8 s GLN 115 Ca 0.14 -0.64 0.02 0.00 0.05 0.00 0.00 55.36 54.93 1vi8 s GLN 115 Cb -0.11 -2.91 0.06 0.00 1.10 0.00 0.00 33.01 31.15 1vi8 s GLN 115 CO 0.05 -0.10 -0.09 0.42 -0.55 0.00 0.00 175.29 175.02 1vi8 s ILE 116 N 1.19 2.33 -0.23 -2.34 1.09 0.70 -1.63 121.20 122.32 1vi8 s ILE 116 Ca 0.02 -1.55 -0.09 0.00 -1.10 0.00 0.00 60.65 57.93 1vi8 s ILE 116 Cb -0.14 -2.35 -0.04 0.00 -1.06 0.00 0.00 42.46 38.86 1vi8 s ILE 116 CO -0.02 -0.02 0.11 -1.61 -0.10 0.00 0.00 174.94 173.30 1vi8 s GLU 117 N 1.14 3.93 -0.21 2.79 2.02 -0.97 -0.98 118.70 126.42 1vi8 s GLU 117 Ca -0.08 -0.35 -0.07 0.00 0.02 0.00 0.00 54.97 54.50 1vi8 s GLU 117 Cb -0.20 -3.39 -0.03 0.00 0.10 0.00 0.00 34.13 30.61 1vi8 s GLU 117 CO -0.05 0.05 0.06 0.42 0.02 0.00 0.00 175.26 175.77 1vi8 s ILE 118 N 1.03 4.52 0.29 -1.63 1.01 0.28 -0.29 121.20 126.40 1vi8 s ILE 118 Ca 0.06 -0.12 0.10 0.00 0.00 0.00 0.00 60.65 60.69 1vi8 s ILE 118 Cb -0.14 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.22 1vi8 s ILE 118 CO 0.04 0.40 -0.01 -0.36 0.00 0.00 0.00 174.94 175.01 1vi8 s PHE 119 N 0.93 2.62 0.65 3.97 0.40 0.16 0.65 117.98 127.37 1vi8 s PHE 119 Ca 0.04 -0.29 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 1vi8 s PHE 119 Cb -0.14 -1.27 0.09 0.00 0.51 0.00 0.00 43.02 42.21 1vi8 s PHE 119 CO 0.03 0.58 0.90 0.16 0.70 0.00 0.00 175.22 177.58 1vi8 s ASP 120 N -3.68 4.75 0.59 1.36 3.84 -0.38 -1.05 116.67 122.11 1vi8 s ASP 120 Ca 0.32 -0.25 0.29 0.00 -0.00 0.00 0.00 52.55 52.91 1vi8 s ASP 120 Cb -0.05 -0.33 1.59 0.00 -1.38 0.00 0.00 42.92 42.75 1vi8 s ASP 120 CO 0.20 -1.56 2.01 -0.33 -0.00 0.00 0.00 175.17 175.49 1vi8 h GLU 121 N -0.26 0.00 -0.00 2.11 5.08 -1.86 0.48 114.58 120.12 1vi8 h GLU 121 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1vi8 h GLU 121 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1vi8 h GLU 121 CO 0.45 0.00 -0.00 1.63 -1.00 0.00 0.00 179.01 180.09 1vi8 n LYS 122 N -3.71 1.21 -1.11 2.33 4.76 -1.26 -4.90 118.16 115.48 1vi8 n LYS 122 Ca 0.04 -0.30 -0.04 0.00 -2.87 0.00 0.00 58.31 55.14 1vi8 n LYS 122 Cb 0.46 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 32.14 1vi8 n LYS 122 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vi8 n GLY 123 N 1.06 0.67 3.74 0.72 0.00 0.17 -5.02 105.19 106.53 1vi8 n GLY 123 Ca 0.22 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 1vi8 n GLY 123 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vi8 s ARG 124 N -2.19 4.20 0.18 1.61 0.52 -1.26 -4.80 118.95 117.21 1vi8 s ARG 124 Ca 0.00 0.19 -0.33 0.00 -0.52 0.00 0.00 55.73 55.07 1vi8 s ARG 124 Cb 0.00 -3.39 -0.13 0.00 0.52 0.00 0.00 34.95 31.94 1vi8 s ARG 124 CO 0.00 0.30 1.65 -0.11 0.02 0.00 0.00 175.30 177.15 1vi8 n LEU 125 N 3.33 3.49 -0.03 2.53 7.94 -1.26 -1.25 117.00 131.75 1vi8 n LEU 125 Ca -0.12 1.07 -0.03 0.00 -1.11 0.00 0.00 56.01 55.83 1vi8 n LEU 125 Cb 0.52 -1.49 -0.04 0.00 0.53 0.00 0.00 43.42 42.94 1vi8 n LEU 125 CO 0.40 -0.08 -0.68 0.00 -1.11 0.00 0.00 177.39 175.91 1vi8 s SER 128 N 0.61 2.43 0.06 0.00 0.15 -1.08 1.00 113.70 116.87 1vi8 s SER 128 Ca -0.03 -0.43 -0.06 0.00 0.70 0.00 0.00 55.95 56.13 1vi8 s SER 128 Cb -0.05 -1.12 -0.01 0.00 -1.71 0.00 0.00 66.02 63.13 1vi8 s SER 128 CO -0.04 0.09 0.11 -0.94 1.20 0.00 0.00 173.24 173.66 1vi8 s SER 129 N 0.54 0.24 -0.02 5.45 1.04 -0.15 -0.74 113.70 120.06 1vi8 s SER 129 Ca -0.16 -0.72 0.05 0.00 0.48 0.00 0.00 55.95 55.61 1vi8 s SER 129 Cb -0.17 0.27 -0.01 0.00 0.10 0.00 0.00 66.02 66.21 1vi8 s SER 129 CO 0.06 -0.64 -0.18 -0.13 0.98 0.00 0.00 173.24 173.33 1vi8 s ARG 130 N -3.57 1.51 -0.12 4.02 0.52 -0.29 -0.21 118.95 120.80 1vi8 s ARG 130 Ca 0.03 -0.64 0.01 0.00 -0.52 0.00 0.00 55.73 54.62 1vi8 s ARG 130 Cb 0.04 -1.43 0.02 0.00 0.52 0.00 0.00 34.95 34.10 1vi8 s ARG 130 CO -0.09 0.36 -0.15 -1.17 0.02 0.00 0.00 175.30 174.28 1vi8 s LEU 131 N -0.35 1.69 -0.23 2.53 2.96 0.21 -1.68 118.68 123.81 1vi8 s LEU 131 Ca 0.05 -0.44 -0.09 0.00 -0.22 0.00 0.00 54.13 53.43 1vi8 s LEU 131 Cb -0.08 -1.11 -0.04 0.00 0.50 0.00 0.00 46.19 45.46 1vi8 s LEU 131 CO -0.00 -0.01 0.12 -0.89 -1.32 0.00 0.00 176.35 174.25 1vi8 s THR 132 N 1.18 5.03 0.28 3.68 2.01 0.15 -0.73 115.64 127.23 1vi8 s THR 132 Ca -0.02 0.07 0.10 0.00 0.31 0.00 0.00 61.69 62.14 1vi8 s THR 132 Cb -0.14 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1vi8 s THR 132 CO -0.05 0.36 -0.01 0.42 -0.69 0.00 0.00 174.62 174.65 1vi8 s THR 133 N 1.09 3.26 -0.06 -0.82 -4.23 0.04 -0.36 115.64 114.58 1vi8 s THR 133 Ca 0.06 -1.95 0.05 0.00 -1.18 0.00 0.00 61.69 58.67 1vi8 s THR 133 Cb -0.14 -2.80 -0.02 0.00 1.34 0.00 0.00 72.50 70.89 1vi8 s THR 133 CO 0.04 -0.35 -0.20 0.00 -0.54 0.00 0.00 174.62 173.57 1vi8 s ALA 134 N -2.36 2.40 -0.19 3.99 0.00 0.53 -1.61 121.76 124.51 1vi8 s ALA 134 Ca 0.32 -1.02 -0.16 0.00 0.00 0.00 0.00 51.96 51.10 1vi8 s ALA 134 Cb -0.06 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 1vi8 s ALA 134 CO 0.20 0.47 0.40 0.42 0.00 0.00 0.00 175.76 177.25 1vi8 s ILE 135 N -0.40 5.20 -0.02 0.00 1.01 0.12 -0.58 121.20 126.54 1vi8 s ILE 135 Ca 0.04 0.72 0.05 0.00 0.00 0.00 0.00 60.65 61.46 1vi8 s ILE 135 Cb -0.12 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 1vi8 s ILE 135 CO 0.02 0.26 -0.16 -0.76 0.00 0.00 0.00 174.94 174.30 1vi8 s LEU 136 N 1.24 2.65 0.00 2.97 1.43 0.25 -4.89 118.68 122.33 1vi8 s LEU 136 Ca 0.20 -0.28 0.32 0.00 -1.03 0.00 0.00 54.13 53.33 1vi8 s LEU 136 Cb -0.15 -1.54 1.82 0.00 0.03 0.00 0.00 46.19 46.35 1vi8 s LEU 136 CO 0.08 0.31 2.18 1.21 0.23 0.00 0.00 176.35 180.36