#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vi8 n LEU 1 N 0.00 3.40 -0.05 2.46 7.94 -1.26 -4.12 117.00 125.37 1vi8 n LEU 1 Ca 0.00 1.00 -0.03 0.00 -1.11 0.00 0.00 56.01 55.87 1vi8 n LEU 1 Cb 0.00 -1.40 -0.10 0.00 0.53 0.00 0.00 43.42 42.45 1vi8 n LEU 1 CO 0.00 -0.10 -0.84 2.30 -1.11 0.00 0.00 177.39 177.64 1vi8 n ILE 2 N 4.68 0.62 -2.08 1.96 -5.35 0.20 -4.99 119.36 114.41 1vi8 n ILE 2 Ca 0.21 -0.47 -0.41 0.00 -0.27 0.00 0.00 62.75 61.81 1vi8 n ILE 2 Cb 0.30 -0.43 -0.02 0.00 -1.74 0.00 0.00 39.64 37.74 1vi8 n ILE 2 CO 0.00 0.00 0.00 0.26 -1.76 0.00 0.00 176.55 175.05 1vi8 s TRP 3 N -2.47 3.05 -1.08 4.28 0.52 -1.26 -4.76 118.94 117.22 1vi8 s TRP 3 Ca -0.06 1.24 0.19 0.00 0.02 0.00 0.00 56.10 57.49 1vi8 s TRP 3 Cb 0.05 -3.73 -0.17 0.00 -1.15 0.00 0.00 33.47 28.47 1vi8 s TRP 3 CO 0.52 -2.19 0.84 1.63 0.02 0.00 0.00 176.95 177.78 1vi8 n LYS 4 N 1.58 0.88 -4.80 4.98 5.02 0.41 -4.89 118.16 121.34 1vi8 n LYS 4 Ca 0.03 -0.19 -0.27 0.00 -2.02 0.00 0.00 58.31 55.87 1vi8 n LYS 4 Cb 0.41 -1.39 -0.17 0.00 -0.02 0.00 0.00 35.03 33.86 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 -2.68 2.04 0.01 1.97 0.52 -0.75 -4.95 118.95 115.11 1vi8 s ARG 5 Ca 0.09 -0.58 -0.19 0.00 -0.52 0.00 0.00 55.73 54.53 1vi8 s ARG 5 Cb 0.15 -1.65 -0.06 0.00 0.52 0.00 0.00 34.95 33.90 1vi8 s ARG 5 CO 0.72 0.12 0.54 0.15 0.02 0.00 0.00 175.30 176.86 1vi8 s LYS 6 N 0.41 4.22 -0.03 3.54 1.02 -1.26 -4.94 119.74 122.69 1vi8 s LYS 6 Ca -0.13 0.65 -0.18 0.00 0.02 0.00 0.00 55.97 56.33 1vi8 s LYS 6 Cb -0.15 -3.30 0.03 0.00 -0.52 0.00 0.00 37.83 33.90 1vi8 s LYS 6 CO 0.05 0.49 0.40 -1.50 -0.92 0.00 0.00 175.35 173.87 1vi8 s ILE 7 N -0.57 0.04 0.33 2.17 2.07 -1.26 -5.15 121.20 118.83 1vi8 s ILE 7 Ca 0.29 -0.34 0.05 0.00 -1.41 0.00 0.00 60.65 59.24 1vi8 s ILE 7 Cb -0.18 -0.70 -0.01 0.00 0.13 0.00 0.00 42.46 41.70 1vi8 s ILE 7 CO 0.16 -0.19 0.47 0.42 -1.91 0.00 0.00 174.94 173.90 1vi8 s THR 8 N -1.19 4.43 0.25 4.00 -4.23 -1.26 -4.96 115.64 112.68 1vi8 s THR 8 Ca -0.12 -0.89 -0.04 0.00 -1.18 0.00 0.00 61.69 59.45 1vi8 s THR 8 Cb -0.04 -3.56 0.24 0.00 1.34 0.00 0.00 72.50 70.48 1vi8 s THR 8 CO 0.05 -0.25 1.87 -0.07 -0.54 0.00 0.00 174.62 175.68 1vi8 h LEU 9 N 0.89 0.94 0.36 4.79 3.38 -1.98 -0.19 115.31 123.50 1vi8 h LEU 9 Ca -0.48 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 1vi8 h LEU 9 Cb 1.25 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1vi8 h LEU 9 CO 0.56 0.61 -0.23 -0.08 0.09 0.00 0.00 178.44 179.39 1vi8 h GLU 10 N 1.08 -0.54 -0.90 1.13 4.81 -1.95 0.11 114.58 118.32 1vi8 h GLU 10 Ca 0.40 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 1vi8 h GLU 10 Cb 0.15 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 1vi8 h GLU 10 CO -0.17 -0.36 0.57 0.00 -0.73 0.00 0.00 179.01 178.32 1vi8 h ALA 11 N 0.05 1.30 0.06 2.92 0.00 -1.85 -0.79 119.26 120.95 1vi8 h ALA 11 Ca -0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1vi8 h ALA 11 Cb 0.47 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1vi8 h ALA 11 CO 0.03 0.62 -0.03 1.25 0.00 0.00 0.00 179.25 181.13 1vi8 h LEU 12 N 1.24 -0.06 -1.20 0.00 5.85 -0.69 -2.76 115.31 117.68 1vi8 h LEU 12 Ca 0.33 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 1vi8 h LEU 12 Cb -0.10 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 1vi8 h LEU 12 CO -0.07 0.00 -0.15 0.78 -0.34 0.00 0.00 178.44 178.67 1vi8 h ASN 13 N -0.13 0.00 0.09 1.25 2.35 -0.53 -2.51 115.58 116.11 1vi8 h ASN 13 Ca -0.01 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.67 1vi8 h ASN 13 Cb 0.10 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1vi8 h ASN 13 CO 0.01 0.15 -0.23 0.00 -1.65 0.00 0.00 177.43 175.71 1vi8 h ALA 14 N 1.85 1.35 -0.66 -0.83 0.00 -0.87 -3.05 119.26 117.07 1vi8 h ALA 14 Ca -0.00 -0.28 0.11 0.00 0.00 0.00 0.00 54.91 54.74 1vi8 h ALA 14 Cb 0.67 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 1vi8 h ALA 14 CO 0.02 0.45 0.24 0.52 0.00 0.00 0.00 179.25 180.47 1vi8 h MET 15 N 0.23 0.39 0.00 0.00 2.86 -1.23 -2.40 114.93 114.78 1vi8 h MET 15 Ca 0.04 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1vi8 h MET 15 Cb 0.54 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1vi8 h MET 15 CO 0.04 0.26 0.00 0.41 1.06 0.00 0.00 176.91 178.68 1vi8 n GLY 16 N -1.31 -0.92 3.69 8.32 0.00 -1.15 -4.86 105.19 108.95 1vi8 n GLY 16 Ca 0.11 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1vi8 n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vi8 s GLU 17 N -2.13 4.21 0.00 1.61 2.12 -0.91 -0.37 118.70 123.24 1vi8 s GLU 17 Ca 0.37 2.26 0.00 0.00 0.36 0.00 0.00 54.97 57.97 1vi8 s GLU 17 Cb 0.18 -3.65 0.00 0.00 0.26 0.00 0.00 34.13 30.92 1vi8 s GLU 17 CO 0.33 -0.73 0.00 0.41 -0.54 0.00 0.00 175.26 174.74 1vi8 n GLY 18 N 3.97 0.78 3.38 -1.50 0.00 -1.26 -4.96 105.19 105.59 1vi8 n GLY 18 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.65 2.14 0.26 1.61 2.20 -1.02 -5.00 114.94 112.48 1vi8 s ASN 19 Ca 0.00 -1.74 -0.11 0.00 -0.94 0.00 0.00 52.86 50.07 1vi8 s ASN 19 Cb 0.00 0.56 0.38 0.00 -2.00 0.00 0.00 41.25 40.19 1vi8 s ASN 19 CO 0.00 -1.03 1.56 -0.03 -2.94 0.00 0.00 177.10 174.66 1vi8 h MET 20 N 1.99 -0.00 -0.32 3.55 1.85 -1.96 -0.50 114.93 119.52 1vi8 h MET 20 Ca -0.29 0.00 0.07 0.00 -0.61 0.00 0.00 59.70 58.88 1vi8 h MET 20 Cb 1.25 0.00 -0.08 0.00 0.43 0.00 0.00 31.60 33.20 1vi8 h MET 20 CO 0.44 -0.00 -0.20 0.28 -0.40 0.00 0.00 176.91 177.02 1vi8 h VAL 21 N -0.00 0.43 -0.25 -5.77 2.07 -1.96 -0.91 116.25 109.87 1vi8 h VAL 21 Ca 0.43 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.93 1vi8 h VAL 21 Cb 0.68 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1vi8 h VAL 21 CO -1.00 0.00 0.08 1.23 0.02 0.00 0.00 177.57 177.90 1vi8 h GLY 22 N -0.17 0.41 0.01 2.17 0.00 0.81 -1.98 103.07 104.33 1vi8 h GLY 22 Ca 0.17 -0.24 0.22 0.00 0.00 0.00 0.00 47.33 47.48 1vi8 h GLY 22 CO -0.42 0.22 0.61 -2.75 0.00 0.00 0.00 176.54 174.20 1vi8 h PHE 23 N 0.24 0.99 -0.37 5.60 3.57 -0.57 0.18 116.94 126.57 1vi8 h PHE 23 Ca 0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1vi8 h PHE 23 Cb 0.22 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.67 1vi8 h PHE 23 CO -0.00 0.15 0.00 1.28 -2.23 0.00 0.00 178.31 177.51 1vi8 n LEU 24 N -4.78 2.08 -3.69 0.59 4.77 -0.41 -4.91 117.00 110.65 1vi8 n LEU 24 Ca 0.25 -1.02 -0.26 0.00 -0.03 0.00 0.00 56.01 54.95 1vi8 n LEU 24 Cb 0.67 -0.25 0.06 0.00 -2.33 0.00 0.00 43.42 41.58 1vi8 n LEU 24 CO 0.20 0.51 0.20 -0.67 -1.33 0.00 0.00 177.39 176.31 1vi8 n ASP 25 N 0.63 -5.79 -4.67 -1.43 4.64 0.64 -4.37 116.55 106.19 1vi8 n ASP 25 Ca 0.14 -0.61 -0.42 0.00 -1.38 0.00 0.00 54.79 52.51 1vi8 n ASP 25 Cb 0.34 -4.70 -0.03 0.00 -1.04 0.00 0.00 41.12 35.68 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 -3.32 4.82 -0.07 5.18 1.01 -0.75 -4.40 121.20 123.66 1vi8 s ILE 26 Ca 0.59 1.84 0.03 0.00 0.00 0.00 0.00 60.65 63.12 1vi8 s ILE 26 Cb -0.27 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 37.98 1vi8 s ILE 26 CO 0.76 -0.01 -0.18 -0.13 0.00 0.00 0.00 174.94 175.38 1vi8 s ARG 27 N 2.25 2.26 0.30 2.79 0.52 -0.46 -4.72 118.95 121.90 1vi8 s ARG 27 Ca 0.43 -0.64 -0.27 0.00 -0.52 0.00 0.00 55.73 54.72 1vi8 s ARG 27 Cb -0.17 -1.80 -0.10 0.00 0.52 0.00 0.00 34.95 33.40 1vi8 s ARG 27 CO 0.13 0.13 0.95 -0.06 0.02 0.00 0.00 175.30 176.48 1vi8 s PHE 28 N 0.41 3.74 0.00 -0.53 0.40 -1.26 -0.56 117.98 120.18 1vi8 s PHE 28 Ca -0.14 1.81 0.00 0.00 -0.60 0.00 0.00 56.93 58.00 1vi8 s PHE 28 Cb -0.16 -2.96 0.00 0.00 0.51 0.00 0.00 43.02 40.41 1vi8 s PHE 28 CO 0.06 0.20 0.00 0.39 0.70 0.00 0.00 175.22 176.57 1vi8 n GLU 29 N 0.79 3.48 -3.71 0.44 1.02 0.52 -4.93 120.64 118.24 1vi8 n GLU 29 Ca 0.01 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.03 1vi8 n GLU 29 Cb 0.49 -0.61 -0.12 0.00 -0.02 0.00 0.00 31.44 31.18 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 -0.71 -0.44 -0.30 -0.32 5.04 -1.14 -5.02 115.29 112.40 1vi8 s HIS 30 Ca 0.00 0.98 0.01 0.00 -1.54 0.00 0.00 55.06 54.52 1vi8 s HIS 30 Cb 0.00 0.13 0.07 0.00 0.04 0.00 0.00 32.58 32.82 1vi8 s HIS 30 CO 0.00 -0.28 -0.02 0.42 -2.34 0.00 0.00 174.74 172.52 1vi8 s ILE 31 N 1.33 2.52 0.32 0.89 1.01 -1.26 -1.76 121.20 124.24 1vi8 s ILE 31 Ca -0.09 -1.73 0.03 0.00 0.00 0.00 0.00 60.65 58.85 1vi8 s ILE 31 Cb -0.10 -2.56 0.06 0.00 0.01 0.00 0.00 42.46 39.87 1vi8 s ILE 31 CO -0.10 -0.21 0.43 0.61 0.00 0.00 0.00 174.94 175.67 1vi8 n GLY 32 N 4.47 1.46 0.29 6.18 0.00 0.17 -4.99 105.19 112.77 1vi8 n GLY 32 Ca -0.09 -2.11 -0.04 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.09 0.79 0.00 1.61 3.45 -1.99 -3.35 116.42 116.84 1vi8 h ASP 33 Ca -0.15 -0.18 0.00 0.00 0.43 0.00 0.00 57.03 57.14 1vi8 h ASP 33 Cb 0.61 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 39.17 1vi8 h ASP 33 CO 0.18 0.83 -0.20 -0.90 -1.57 0.00 0.00 179.24 177.59 1vi8 n ASP 34 N -4.23 0.60 -3.97 6.45 3.85 -1.26 -0.62 116.55 117.36 1vi8 n ASP 34 Ca 0.03 -1.82 -0.09 0.00 -0.71 0.00 0.00 54.79 52.19 1vi8 n ASP 34 Cb 0.28 -0.14 -0.11 0.00 -1.35 0.00 0.00 41.12 39.81 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 -0.55 0.12 -0.05 2.12 -4.23 -1.26 -4.31 115.64 107.49 1vi8 s THR 35 Ca 0.05 -1.01 0.02 0.00 -1.18 0.00 0.00 61.69 59.56 1vi8 s THR 35 Cb 0.04 -0.51 0.01 0.00 1.34 0.00 0.00 72.50 73.38 1vi8 s THR 35 CO 0.00 -0.56 -0.09 -0.22 -0.54 0.00 0.00 174.62 173.22 1vi8 s LEU 36 N -1.71 1.55 -0.01 4.79 2.96 -0.46 -0.66 118.68 125.14 1vi8 s LEU 36 Ca -0.12 -0.21 0.04 0.00 -0.22 0.00 0.00 54.13 53.62 1vi8 s LEU 36 Cb -0.06 -0.62 -0.01 0.00 0.50 0.00 0.00 46.19 46.00 1vi8 s LEU 36 CO -0.02 0.01 -0.12 -1.61 -1.32 0.00 0.00 176.35 173.29 1vi8 s GLU 37 N 0.67 1.02 0.02 1.98 2.02 -0.72 -0.45 118.70 123.24 1vi8 s GLU 37 Ca -0.11 -0.42 -0.01 0.00 0.02 0.00 0.00 54.97 54.45 1vi8 s GLU 37 Cb -0.14 -0.97 -0.02 0.00 0.10 0.00 0.00 34.13 33.10 1vi8 s GLU 37 CO 0.02 0.24 -0.01 0.00 0.02 0.00 0.00 175.26 175.52 1vi8 s ALA 38 N -0.20 0.08 0.26 5.21 0.00 -0.83 -0.36 121.76 125.93 1vi8 s ALA 38 Ca 0.03 -0.56 0.10 0.00 0.00 0.00 0.00 51.96 51.52 1vi8 s ALA 38 Cb -0.06 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 1vi8 s ALA 38 CO -0.00 -0.17 -0.02 0.95 0.00 0.00 0.00 175.76 176.51 1vi8 s THR 39 N -1.56 3.37 -0.10 0.00 -4.23 0.28 -0.12 115.64 113.27 1vi8 s THR 39 Ca -0.15 -1.93 -0.08 0.00 -1.18 0.00 0.00 61.69 58.35 1vi8 s THR 39 Cb -0.09 -2.79 0.03 0.00 1.34 0.00 0.00 72.50 70.99 1vi8 s THR 39 CO -0.01 -0.36 0.26 -0.32 -0.54 0.00 0.00 174.62 173.65 1vi8 s MET 40 N -3.61 0.29 0.38 3.99 0.00 -0.29 -1.36 119.30 118.71 1vi8 s MET 40 Ca 0.31 0.40 -0.20 0.00 0.00 0.00 0.00 55.69 56.20 1vi8 s MET 40 Cb -0.06 0.09 -0.10 0.00 0.00 0.00 0.00 34.83 34.76 1vi8 s MET 40 CO 0.19 -0.06 0.88 -1.25 0.00 0.00 0.00 175.02 174.78 1vi8 s PRO 41 N 0.38 4.21 -0.57 4.11 0.04 -1.26 -0.60 135.00 141.31 1vi8 s PRO 41 Ca -0.02 1.01 -0.18 0.00 0.04 0.00 0.00 61.00 61.85 1vi8 s PRO 41 Cb -0.04 -2.34 0.11 0.00 0.04 0.00 0.00 34.50 32.27 1vi8 s PRO 41 CO -0.02 0.07 0.64 0.08 0.04 0.00 0.00 177.00 177.81 1vi8 s VAL 42 N -2.04 4.94 0.00 -0.36 1.01 0.13 -4.67 120.40 119.41 1vi8 s VAL 42 Ca 0.58 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1vi8 s VAL 42 Cb -0.11 -4.43 0.00 0.00 0.00 0.00 0.00 36.38 31.84 1vi8 s VAL 42 CO 0.16 -1.03 0.00 -0.90 0.00 0.00 0.00 175.10 173.33 1vi8 n ASP 43 N 6.00 0.00 0.27 3.32 3.85 -1.26 -4.35 116.55 124.38 1vi8 n ASP 43 Ca -0.11 -0.05 0.16 0.00 -0.71 0.00 0.00 54.79 54.08 1vi8 n ASP 43 Cb 0.42 0.00 0.90 0.00 -1.35 0.00 0.00 41.12 41.09 1vi8 n ASP 43 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1vi8 h SER 44 N 0.00 0.00 0.49 -1.12 4.64 -1.94 -0.74 113.55 114.87 1vi8 h SER 44 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1vi8 h SER 44 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1vi8 h SER 44 CO 0.00 0.00 -1.31 0.54 -0.87 0.00 0.00 176.83 175.19 1vi8 n ARG 45 N -3.77 0.50 -0.08 4.77 1.74 -1.26 -4.34 116.66 114.23 1vi8 n ARG 45 Ca -0.01 -0.02 0.03 0.00 -0.77 0.00 0.00 57.85 57.08 1vi8 n ARG 45 Cb 0.18 -1.65 0.08 0.00 -1.02 0.00 0.00 32.46 30.04 1vi8 n ARG 45 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1vi8 n THR 46 N -2.29 0.75 -3.89 0.55 -2.24 -0.84 -5.03 114.28 101.29 1vi8 n THR 46 Ca -0.00 -0.88 -0.28 0.00 -2.27 0.00 0.00 64.05 60.62 1vi8 n THR 46 Cb 0.51 0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 69.37 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 -0.89 3.46 0.72 -0.78 1.02 -0.34 -0.25 119.74 122.67 1vi8 s LYS 47 Ca 0.12 -0.49 -0.02 0.00 0.02 0.00 0.00 55.97 55.61 1vi8 s LYS 47 Cb 0.07 -2.97 0.12 0.00 -0.52 0.00 0.00 37.83 34.53 1vi8 s LYS 47 CO 0.09 0.53 0.99 1.14 -0.92 0.00 0.00 175.35 177.18 1vi8 s GLN 48 N -2.99 1.73 0.38 1.68 1.03 0.46 -4.61 119.66 117.34 1vi8 s GLN 48 Ca 0.35 -1.01 0.16 0.00 0.04 0.00 0.00 55.36 54.90 1vi8 s GLN 48 Cb -0.12 -2.31 0.86 0.00 0.03 0.00 0.00 33.01 31.47 1vi8 s GLN 48 CO 0.28 -1.42 1.40 -1.35 -2.54 0.00 0.00 175.29 171.66 1vi8 h PRO 49 N -0.53 0.00 -0.49 9.60 0.11 -2.00 -2.57 132.00 136.11 1vi8 h PRO 49 Ca -0.38 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.49 1vi8 h PRO 49 Cb 1.27 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.23 1vi8 h PRO 49 CO 0.42 0.00 0.08 1.19 -0.21 0.00 0.00 178.00 179.48 1vi8 n PHE 50 N -2.19 1.52 -1.28 0.65 3.72 -1.26 -4.95 117.46 113.67 1vi8 n PHE 50 Ca -0.01 -1.63 -0.10 0.00 -0.05 0.00 0.00 57.45 55.66 1vi8 n PHE 50 Cb 0.33 -0.59 -0.04 0.00 -0.94 0.00 0.00 39.48 38.24 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 -1.09 1.06 3.63 1.37 0.00 -0.97 -5.01 105.19 104.18 1vi8 n GLY 51 Ca 0.39 -0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.20 3.17 -0.17 0.99 1.43 -1.26 -4.60 118.68 116.04 1vi8 s LEU 52 Ca 0.00 -0.52 -0.35 0.00 -1.03 0.00 0.00 54.13 52.24 1vi8 s LEU 52 Cb 0.00 -1.80 -0.12 0.00 0.03 0.00 0.00 46.19 44.30 1vi8 s LEU 52 CO 0.00 0.07 1.94 -0.11 0.23 0.00 0.00 176.35 178.48 1vi8 n LEU 53 N -0.27 3.09 -4.74 1.79 7.94 0.14 -0.41 117.00 124.55 1vi8 n LEU 53 Ca -0.09 0.84 -0.42 0.00 -1.11 0.00 0.00 56.01 55.23 1vi8 n LEU 53 Cb 0.56 -1.33 -0.02 0.00 0.53 0.00 0.00 43.42 43.16 1vi8 n LEU 53 CO 0.38 -0.25 1.31 -2.28 -1.11 0.00 0.00 177.39 175.44 1vi8 s HIS 54 N 4.85 2.81 0.29 1.96 5.65 0.65 -4.71 115.29 126.79 1vi8 s HIS 54 Ca 0.97 0.56 0.01 0.00 0.25 0.00 0.00 55.06 56.85 1vi8 s HIS 54 Cb -0.75 -4.11 0.53 0.00 -1.18 0.00 0.00 32.58 27.07 1vi8 s HIS 54 CO 0.52 -3.98 1.87 0.78 -0.65 0.00 0.00 174.74 173.28 1vi8 h GLY 55 N 5.76 1.51 2.00 1.59 0.00 -1.89 -0.52 103.07 111.52 1vi8 h GLY 55 Ca -0.45 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.43 1vi8 h GLY 55 CO 0.87 0.23 -0.12 -1.33 0.00 0.00 0.00 176.54 176.19 1vi8 h GLY 56 N 1.03 0.00 1.51 4.60 0.00 -1.95 -2.54 103.07 105.72 1vi8 h GLY 56 Ca 0.45 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.62 1vi8 h GLY 56 CO -0.21 0.00 -0.59 0.00 0.00 0.00 0.00 176.54 175.74 1vi8 h ALA 57 N 1.88 0.69 -0.54 3.60 0.00 -1.39 -1.59 119.26 121.91 1vi8 h ALA 57 Ca -0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1vi8 h ALA 57 Cb 0.45 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1vi8 h ALA 57 CO 0.02 0.70 0.15 0.77 0.00 0.00 0.00 179.25 180.89 1vi8 h SER 58 N 0.38 0.75 -0.23 0.00 0.02 -1.28 -1.57 113.55 111.61 1vi8 h SER 58 Ca -0.00 -0.12 -0.15 0.00 -0.84 0.00 0.00 61.79 60.67 1vi8 h SER 58 Cb 1.14 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 1vi8 h SER 58 CO 0.11 0.72 -0.41 0.58 -1.14 0.00 0.00 176.83 176.69 1vi8 h VAL 59 N 0.79 1.28 -0.39 2.27 2.07 -1.33 -0.05 116.25 120.89 1vi8 h VAL 59 Ca 0.18 -1.59 0.01 0.00 0.82 0.00 0.00 66.70 66.12 1vi8 h VAL 59 Cb 0.26 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1vi8 h VAL 59 CO -0.01 0.52 0.23 0.58 0.02 0.00 0.00 177.57 178.92 1vi8 h VAL 60 N 0.64 1.05 -0.37 2.57 2.07 -0.86 0.17 116.25 121.51 1vi8 h VAL 60 Ca 0.05 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.42 1vi8 h VAL 60 Cb 0.97 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1vi8 h VAL 60 CO 0.09 0.09 0.22 0.25 0.02 0.00 0.00 177.57 178.24 1vi8 h LEU 61 N 0.47 0.36 0.37 2.57 5.85 -1.10 0.88 115.31 124.70 1vi8 h LEU 61 Ca 0.15 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1vi8 h LEU 61 Cb -0.01 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1vi8 h LEU 61 CO -0.06 0.26 -0.18 0.00 -0.34 0.00 0.00 178.44 178.12 1vi8 h ALA 62 N 1.16 -0.49 -0.32 1.25 0.00 -0.30 -2.35 119.26 118.21 1vi8 h ALA 62 Ca 0.15 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1vi8 h ALA 62 Cb 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1vi8 h ALA 62 CO -0.07 -0.75 -0.07 1.49 0.00 0.00 0.00 179.25 179.86 1vi8 h GLU 63 N -0.54 0.52 -0.29 0.00 4.81 -0.65 -1.39 114.58 117.04 1vi8 h GLU 63 Ca -0.05 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1vi8 h GLU 63 Cb 0.41 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1vi8 h GLU 63 CO 0.08 0.59 0.19 0.77 -0.73 0.00 0.00 179.01 179.91 1vi8 h SER 64 N 0.49 0.32 -0.10 1.04 0.02 -0.64 0.11 113.55 114.79 1vi8 h SER 64 Ca 0.10 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.99 1vi8 h SER 64 Cb 0.42 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 1vi8 h SER 64 CO 0.02 0.23 -0.15 0.40 -1.14 0.00 0.00 176.83 176.20 1vi8 h ILE 65 N 0.38 1.38 -0.72 3.27 2.04 -1.31 -3.07 117.51 119.49 1vi8 h ILE 65 Ca 0.11 -1.39 0.02 0.00 1.00 0.00 0.00 64.86 64.59 1vi8 h ILE 65 Cb -0.04 2.07 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 1vi8 h ILE 65 CO -0.03 0.39 0.47 1.23 0.00 0.00 0.00 178.15 180.22 1vi8 h GLY 66 N -0.17 1.00 0.85 5.37 0.00 -1.14 0.89 103.07 109.86 1vi8 h GLY 66 Ca 0.01 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 1vi8 h GLY 66 CO 0.03 0.35 -0.14 1.76 0.00 0.00 0.00 176.54 178.54 1vi8 h SER 67 N 0.94 0.53 -0.55 0.19 0.02 -0.81 -0.93 113.55 112.94 1vi8 h SER 67 Ca 0.27 -0.43 -0.12 0.00 -0.84 0.00 0.00 61.79 60.67 1vi8 h SER 67 Cb -0.06 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1vi8 h SER 67 CO -0.06 0.85 -0.11 0.58 -1.14 0.00 0.00 176.83 176.94 1vi8 h VAL 68 N 0.22 1.27 -0.61 2.27 2.07 -1.39 -1.63 116.25 118.45 1vi8 h VAL 68 Ca 0.05 -1.28 0.01 0.00 0.82 0.00 0.00 66.70 66.30 1vi8 h VAL 68 Cb 0.66 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1vi8 h VAL 68 CO 0.04 0.45 0.40 0.00 0.02 0.00 0.00 177.57 178.48 1vi8 h ALA 69 N 0.93 0.78 -0.44 1.67 0.00 -0.75 -0.24 119.26 121.20 1vi8 h ALA 69 Ca 0.14 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1vi8 h ALA 69 Cb 0.69 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1vi8 h ALA 69 CO 0.05 0.19 0.23 0.78 0.00 0.00 0.00 179.25 180.51 1vi8 h GLY 70 N 0.81 0.60 1.21 0.00 0.00 -0.91 -1.98 103.07 102.81 1vi8 h GLY 70 Ca 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 1vi8 h GLY 70 CO -0.06 0.13 0.45 -1.82 0.00 0.00 0.00 176.54 175.24 1vi8 h TYR 71 N 0.47 1.02 0.00 5.60 3.20 -0.66 -2.27 116.97 124.33 1vi8 h TYR 71 Ca 0.18 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1vi8 h TYR 71 Cb 0.06 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.00 1vi8 h TYR 71 CO -0.09 0.69 0.00 -0.07 -1.64 0.00 0.00 178.16 177.05 1vi8 h LEU 72 N 1.06 0.00 -3.25 2.82 3.38 -0.30 -2.18 115.31 116.85 1vi8 h LEU 72 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1vi8 h LEU 72 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1vi8 h LEU 72 CO -0.05 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.48 1vi8 s THR 74 N -2.07 1.99 0.13 0.00 -4.23 -0.82 -4.73 115.64 105.92 1vi8 s THR 74 Ca 0.53 -1.74 0.02 0.00 -1.18 0.00 0.00 61.69 59.32 1vi8 s THR 74 Cb 0.36 -2.74 -0.04 0.00 1.34 0.00 0.00 72.50 71.41 1vi8 s THR 74 CO 0.23 0.00 -0.06 -1.83 -0.54 0.00 0.00 174.62 172.42 1vi8 s GLU 75 N -3.94 0.96 5.15 3.99 -1.05 -1.26 -4.44 118.70 118.11 1vi8 s GLU 75 Ca 0.34 -1.41 0.00 0.00 -0.15 0.00 0.00 54.97 53.75 1vi8 s GLU 75 Cb 0.03 -0.32 0.00 0.00 -0.44 0.00 0.00 34.13 33.40 1vi8 s GLU 75 CO 0.19 -0.02 0.00 0.41 0.95 0.00 0.00 175.26 176.78 1vi8 n GLY 76 N -0.13 3.14 0.00 -3.83 0.00 -1.26 -1.70 105.19 101.42 1vi8 n GLY 76 Ca -0.10 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 45.95 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 14.00 0.28 -1.62 1.61 -0.58 -1.26 -4.92 120.64 128.15 1vi8 n GLU 77 Ca 0.00 0.02 -0.37 0.00 -0.42 0.00 0.00 57.16 56.39 1vi8 n GLU 77 Cb 0.00 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 29.44 1vi8 n GLU 77 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1vi8 n GLN 78 N -1.35 0.93 -4.16 3.49 6.02 -0.69 -4.89 117.38 116.73 1vi8 n GLN 78 Ca 0.11 0.37 -0.12 0.00 -0.01 0.00 0.00 57.00 57.35 1vi8 n GLN 78 Cb 0.26 -2.42 -0.08 0.00 1.02 0.00 0.00 30.24 29.01 1vi8 n GLN 78 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1vi8 s LYS 79 N -3.31 1.38 0.03 -1.09 1.02 -0.27 -4.72 119.74 112.78 1vi8 s LYS 79 Ca 0.80 -1.61 0.05 0.00 0.02 0.00 0.00 55.97 55.24 1vi8 s LYS 79 Cb -0.38 0.33 -0.02 0.00 -0.52 0.00 0.00 37.83 37.24 1vi8 s LYS 79 CO 0.43 -0.50 -0.16 0.14 -0.92 0.00 0.00 175.35 174.35 1vi8 s VAL 80 N -3.97 1.23 -0.04 3.17 -7.23 -1.26 0.27 120.40 112.56 1vi8 s VAL 80 Ca 0.35 -0.99 0.05 0.00 -1.81 0.00 0.00 61.98 59.58 1vi8 s VAL 80 Cb 0.04 -1.10 -0.01 0.00 0.56 0.00 0.00 36.38 35.88 1vi8 s VAL 80 CO 0.14 0.09 -0.20 0.68 -0.31 0.00 0.00 175.10 175.50 1vi8 s VAL 81 N -0.77 1.64 0.25 1.32 -7.23 -0.36 -4.94 120.40 110.31 1vi8 s VAL 81 Ca 0.03 -0.85 -0.30 0.00 -1.81 0.00 0.00 61.98 59.06 1vi8 s VAL 81 Cb -0.08 -1.40 -0.09 0.00 0.56 0.00 0.00 36.38 35.38 1vi8 s VAL 81 CO 0.01 0.47 1.21 -0.83 -0.31 0.00 0.00 175.10 175.65 1vi8 s GLY 82 N -0.12 2.83 -0.12 2.32 0.00 -1.26 -0.78 107.32 110.19 1vi8 s GLY 82 Ca -0.02 1.03 -0.04 0.00 0.00 0.00 0.00 44.72 45.69 1vi8 s GLY 82 CO 0.02 1.79 -0.14 1.04 0.00 0.00 0.00 173.10 175.81 1vi8 n LEU 83 N 1.72 1.39 -3.82 0.66 4.77 0.47 -4.90 117.00 117.29 1vi8 n LEU 83 Ca 0.02 0.10 -0.12 0.00 -0.03 0.00 0.00 56.01 55.97 1vi8 n LEU 83 Cb 0.44 -0.37 -0.12 0.00 -2.33 0.00 0.00 43.42 41.04 1vi8 n LEU 83 CO 0.56 0.36 -0.17 -0.70 -1.33 0.00 0.00 177.39 176.11 1vi8 s GLU 84 N -2.23 0.26 -0.00 3.23 -6.30 -1.16 -5.02 118.70 107.49 1vi8 s GLU 84 Ca -0.17 0.11 0.01 0.00 -2.50 0.00 0.00 54.97 52.42 1vi8 s GLU 84 Cb 0.06 0.12 -0.00 0.00 0.00 0.00 0.00 34.13 34.31 1vi8 s GLU 84 CO 0.23 -0.04 -0.03 -1.50 0.02 0.00 0.00 175.26 173.93 1vi8 s ILE 85 N -0.21 0.26 0.10 -3.70 2.07 -1.26 -0.38 121.20 118.08 1vi8 s ILE 85 Ca -0.03 -0.16 0.02 0.00 -1.41 0.00 0.00 60.65 59.07 1vi8 s ILE 85 Cb -0.02 -0.23 -0.04 0.00 0.13 0.00 0.00 42.46 42.30 1vi8 s ILE 85 CO 0.01 0.06 -0.07 0.54 -1.91 0.00 0.00 174.94 173.56 1vi8 s ASN 86 N -0.11 1.18 -0.05 4.50 2.20 -0.44 -5.01 114.94 117.21 1vi8 s ASN 86 Ca 0.01 -0.95 -0.30 0.00 -0.94 0.00 0.00 52.86 50.68 1vi8 s ASN 86 Cb -0.01 0.08 0.09 0.00 -2.00 0.00 0.00 41.25 39.40 1vi8 s ASN 86 CO -0.00 -0.42 0.78 0.00 -2.94 0.00 0.00 177.10 174.52 1vi8 s ALA 87 N -3.31 -1.80 -0.09 3.54 0.00 -1.26 -1.70 121.76 117.14 1vi8 s ALA 87 Ca 0.10 1.26 0.02 0.00 0.00 0.00 0.00 51.96 53.34 1vi8 s ALA 87 Cb 0.03 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.12 1vi8 s ALA 87 CO -0.04 -0.43 -0.13 1.21 0.00 0.00 0.00 175.76 176.37 1vi8 s ASN 88 N -1.48 2.18 -0.64 0.00 3.84 -0.14 -4.97 114.94 113.73 1vi8 s ASN 88 Ca -0.06 -0.36 -0.20 0.00 0.21 0.00 0.00 52.86 52.45 1vi8 s ASN 88 Cb -0.00 -0.96 0.09 0.00 -0.55 0.00 0.00 41.25 39.83 1vi8 s ASN 88 CO 0.03 -0.00 0.83 -1.00 -2.79 0.00 0.00 177.10 174.17 1vi8 s HIS 89 N 1.01 2.89 -0.17 0.43 3.76 -1.26 -1.93 115.29 120.00 1vi8 s HIS 89 Ca -0.07 -0.84 0.19 0.00 -0.15 0.00 0.00 55.06 54.18 1vi8 s HIS 89 Cb -0.15 -4.14 -0.06 0.00 1.11 0.00 0.00 32.58 29.35 1vi8 s HIS 89 CO -0.01 -1.44 0.98 -0.39 -0.85 0.00 0.00 174.74 173.03 1vi8 h VAL 90 N 5.92 0.37 -2.74 -0.90 -1.51 -1.51 -3.48 116.25 112.40 1vi8 h VAL 90 Ca -0.26 -1.68 -0.11 0.00 -1.23 0.00 0.00 66.70 63.42 1vi8 h VAL 90 Cb 1.08 1.91 -0.22 0.00 -2.13 0.00 0.00 31.29 31.93 1vi8 h VAL 90 CO 1.13 0.21 -0.19 -0.60 -1.23 0.00 0.00 177.57 176.89 1vi8 s ARG 91 N -3.07 0.62 0.54 5.19 3.52 -0.99 -4.99 118.95 119.77 1vi8 s ARG 91 Ca -0.01 0.29 -0.02 0.00 -0.13 0.00 0.00 55.73 55.86 1vi8 s ARG 91 Cb 0.09 0.29 0.02 0.00 -1.56 0.00 0.00 34.95 33.78 1vi8 s ARG 91 CO 0.79 -0.13 0.80 -1.54 -0.81 0.00 0.00 175.30 174.41 1vi8 s SER 92 N -0.46 5.50 0.05 -2.12 1.04 -1.26 -4.54 113.70 111.91 1vi8 s SER 92 Ca -0.06 0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.72 1vi8 s SER 92 Cb -0.03 -1.35 -0.03 0.00 0.10 0.00 0.00 66.02 64.70 1vi8 s SER 92 CO 0.03 -1.02 -0.05 0.00 0.98 0.00 0.00 173.24 173.17 1vi8 s ALA 93 N -2.81 0.57 0.00 5.32 0.00 -1.26 -5.00 121.76 118.58 1vi8 s ALA 93 Ca 0.54 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1vi8 s ALA 93 Cb -0.10 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1vi8 s ALA 93 CO 0.41 -0.19 0.00 2.89 0.00 0.00 0.00 175.76 178.87 1vi8 n ARG 94 N 0.78 0.00 -3.77 0.00 -4.01 -1.26 0.27 116.66 108.67 1vi8 n ARG 94 Ca -0.18 0.00 -0.12 0.00 -1.04 0.00 0.00 57.85 56.51 1vi8 n ARG 94 Cb 0.58 -0.16 -0.08 0.00 -3.04 0.00 0.00 32.46 29.75 1vi8 n ARG 94 CO 0.00 0.00 0.00 -1.83 -3.04 0.00 0.00 177.63 172.76 1vi8 s GLU 95 N 0.00 0.73 3.98 2.89 -1.05 -1.26 -4.90 118.70 119.08 1vi8 s GLU 95 Ca 0.00 -0.36 0.00 0.00 -0.15 0.00 0.00 54.97 54.46 1vi8 s GLU 95 Cb 0.00 0.32 0.00 0.00 -0.44 0.00 0.00 34.13 34.01 1vi8 s GLU 95 CO 0.00 -0.22 0.00 0.41 0.95 0.00 0.00 175.26 176.40 1vi8 n GLY 96 N 0.94 0.63 3.14 -3.83 0.00 -1.26 -4.76 105.19 100.05 1vi8 n GLY 96 Ca -0.20 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 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 2.39 0.27 1.61 0.52 -1.26 0.20 118.95 122.68 1vi8 s ARG 97 Ca 0.00 -0.68 -0.07 0.00 -0.52 0.00 0.00 55.73 54.46 1vi8 s ARG 97 Cb 0.00 -1.89 -0.06 0.00 0.52 0.00 0.00 34.95 33.53 1vi8 s ARG 97 CO 0.00 0.14 0.55 0.14 0.02 0.00 0.00 175.30 176.16 1vi8 s VAL 98 N 0.39 4.99 -0.09 3.52 -7.23 0.24 -3.91 120.40 118.31 1vi8 s VAL 98 Ca -0.15 0.22 0.04 0.00 -1.81 0.00 0.00 61.98 60.28 1vi8 s VAL 98 Cb -0.16 -3.69 -0.00 0.00 0.56 0.00 0.00 36.38 33.09 1vi8 s VAL 98 CO 0.06 -0.23 -0.23 -0.60 -0.31 0.00 0.00 175.10 173.79 1vi8 s ARG 99 N -3.29 2.77 -0.18 4.82 3.52 0.11 -1.14 118.95 125.57 1vi8 s ARG 99 Ca 0.45 -0.83 -0.08 0.00 -0.13 0.00 0.00 55.73 55.14 1vi8 s ARG 99 Cb -0.11 -2.16 -0.04 0.00 -1.56 0.00 0.00 34.95 31.08 1vi8 s ARG 99 CO 0.27 0.21 0.09 0.20 -0.81 0.00 0.00 175.30 175.26 1vi8 s GLY 100 N 0.26 1.98 -0.19 8.12 0.00 0.82 -0.63 107.32 117.69 1vi8 s GLY 100 Ca -0.15 -0.72 -0.01 0.00 0.00 0.00 0.00 44.72 43.85 1vi8 s GLY 100 CO 0.07 0.01 -0.14 0.14 0.00 0.00 0.00 173.10 173.18 1vi8 s VAL 101 N 0.15 2.63 -0.16 1.40 1.01 0.57 -1.96 120.40 124.03 1vi8 s VAL 101 Ca 0.07 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 1vi8 s VAL 101 Cb -0.12 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 1vi8 s VAL 101 CO -0.00 0.50 -0.13 0.00 0.00 0.00 0.00 175.10 175.46 1vi8 s LYS 103 N 0.79 0.92 0.30 0.00 -2.85 -0.49 -1.35 119.74 117.07 1vi8 s LYS 103 Ca -0.05 -1.20 -0.21 0.00 -1.00 0.00 0.00 55.97 53.50 1vi8 s LYS 103 Cb -0.15 -0.66 -0.09 0.00 -2.06 0.00 0.00 37.83 34.86 1vi8 s LYS 103 CO 0.01 0.11 0.83 -1.25 0.10 0.00 0.00 175.35 175.15 1vi8 s PRO 104 N -2.81 4.32 -0.13 1.78 0.04 -1.26 -0.90 135.00 136.03 1vi8 s PRO 104 Ca 0.07 1.03 0.05 0.00 0.04 0.00 0.00 61.00 62.19 1vi8 s PRO 104 Cb -0.03 -2.67 -0.11 0.00 0.04 0.00 0.00 34.50 31.73 1vi8 s PRO 104 CO 0.01 0.25 -0.06 1.28 0.04 0.00 0.00 177.00 178.52 1vi8 n LEU 105 N 0.28 1.84 -3.68 -3.56 4.77 0.12 -4.84 117.00 111.92 1vi8 n LEU 105 Ca 0.01 -0.05 -0.11 0.00 -0.03 0.00 0.00 56.01 55.83 1vi8 n LEU 105 Cb 0.52 -0.21 -0.12 0.00 -2.33 0.00 0.00 43.42 41.28 1vi8 n LEU 105 CO 0.42 0.57 -0.06 -2.28 -1.33 0.00 0.00 177.39 174.71 1vi8 s HIS 106 N -2.29 -0.52 -0.58 -1.77 5.04 -0.84 -4.93 115.29 109.42 1vi8 s HIS 106 Ca -0.14 1.11 0.04 0.00 -1.54 0.00 0.00 55.06 54.53 1vi8 s HIS 106 Cb 0.04 0.12 0.14 0.00 0.04 0.00 0.00 32.58 32.93 1vi8 s HIS 106 CO 0.39 -0.35 0.34 -0.51 -2.34 0.00 0.00 174.74 172.27 1vi8 s LEU 107 N 1.96 4.32 0.00 8.88 1.43 -1.26 -1.41 118.68 132.60 1vi8 s LEU 107 Ca -0.04 -3.28 0.03 0.00 -1.03 0.00 0.00 54.13 49.81 1vi8 s LEU 107 Cb -0.11 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.57 1vi8 s LEU 107 CO -0.10 -0.18 0.25 0.61 0.23 0.00 0.00 176.35 177.15 1vi8 n GLY 108 N 2.74 2.47 0.15 -3.19 0.00 -0.86 -5.04 105.19 101.46 1vi8 n GLY 108 Ca 0.11 -2.20 0.05 0.00 0.00 0.00 0.00 46.02 43.98 1vi8 n GLY 108 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1vi8 h SER 109 N 0.17 0.00 0.00 1.61 4.64 -2.01 -3.38 113.55 114.58 1vi8 h SER 109 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1vi8 h SER 109 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1vi8 h SER 109 CO 0.20 0.37 -0.79 0.54 -0.87 0.00 0.00 176.83 176.28 1vi8 n ARG 110 N -3.15 1.61 -3.75 4.77 1.74 -1.26 -4.83 116.66 111.79 1vi8 n ARG 110 Ca 0.02 -0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.99 1vi8 n ARG 110 Cb 0.69 -0.90 -0.06 0.00 -1.02 0.00 0.00 32.46 31.17 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 -1.81 -0.02 0.04 -1.55 3.76 -1.26 -1.12 115.29 113.33 1vi8 s HIS 111 Ca -0.00 -0.34 0.01 0.00 -0.15 0.00 0.00 55.06 54.57 1vi8 s HIS 111 Cb 0.00 0.13 -0.03 0.00 1.11 0.00 0.00 32.58 33.80 1vi8 s HIS 111 CO 0.03 -0.67 -0.05 -0.65 -0.85 0.00 0.00 174.74 172.55 1vi8 s GLN 112 N -3.84 0.50 -0.12 1.40 -0.21 -0.51 -2.04 119.66 114.84 1vi8 s GLN 112 Ca 0.05 -0.84 -0.01 0.00 0.02 0.00 0.00 55.36 54.59 1vi8 s GLN 112 Cb 0.03 -0.07 0.03 0.00 1.00 0.00 0.00 33.01 33.99 1vi8 s GLN 112 CO -0.10 -0.02 -0.06 0.08 -2.12 0.00 0.00 175.29 173.08 1vi8 s VAL 113 N -2.04 0.96 0.00 1.09 1.01 -0.50 -0.20 120.40 120.72 1vi8 s VAL 113 Ca -0.07 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.62 1vi8 s VAL 113 Cb -0.06 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 1vi8 s VAL 113 CO -0.02 0.29 -0.07 0.26 0.00 0.00 0.00 175.10 175.56 1vi8 s TRP 114 N 1.73 2.87 -0.19 5.22 0.52 0.12 0.15 118.94 129.36 1vi8 s TRP 114 Ca 0.04 -0.05 -0.03 0.00 0.02 0.00 0.00 56.10 56.08 1vi8 s TRP 114 Cb -0.13 -1.61 -0.01 0.00 -1.15 0.00 0.00 33.47 30.57 1vi8 s TRP 114 CO -0.08 0.36 -0.05 -1.14 0.02 0.00 0.00 176.95 176.06 1vi8 s GLN 115 N -1.39 3.45 -0.16 4.98 0.74 -0.08 -0.07 119.66 127.14 1vi8 s GLN 115 Ca 0.17 -0.61 0.01 0.00 0.05 0.00 0.00 55.36 54.98 1vi8 s GLN 115 Cb -0.11 -2.93 0.02 0.00 1.10 0.00 0.00 33.01 31.09 1vi8 s GLN 115 CO 0.07 -0.02 -0.17 0.42 -0.55 0.00 0.00 175.29 175.04 1vi8 s ILE 116 N 1.02 1.77 -0.13 -2.34 1.09 0.10 -1.39 121.20 121.32 1vi8 s ILE 116 Ca 0.00 -0.76 -0.03 0.00 -1.10 0.00 0.00 60.65 58.76 1vi8 s ILE 116 Cb -0.15 -1.62 -0.03 0.00 -1.06 0.00 0.00 42.46 39.60 1vi8 s ILE 116 CO 0.00 0.49 -0.01 -1.61 -0.10 0.00 0.00 174.94 173.71 1vi8 s GLU 117 N 1.35 3.45 -0.15 2.79 2.02 -0.30 -0.88 118.70 126.99 1vi8 s GLU 117 Ca 0.04 -0.46 0.00 0.00 0.02 0.00 0.00 54.97 54.57 1vi8 s GLU 117 Cb -0.13 -2.90 -0.01 0.00 0.10 0.00 0.00 34.13 31.19 1vi8 s GLU 117 CO -0.11 0.42 -0.15 0.42 0.02 0.00 0.00 175.26 175.87 1vi8 s ILE 118 N -0.10 2.76 0.15 -1.63 1.01 -0.23 -0.32 121.20 122.84 1vi8 s ILE 118 Ca 0.03 -0.75 0.09 0.00 0.00 0.00 0.00 60.65 60.03 1vi8 s ILE 118 Cb -0.13 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 1vi8 s ILE 118 CO 0.02 0.52 -0.17 -0.36 0.00 0.00 0.00 174.94 174.95 1vi8 s PHE 119 N 0.67 2.52 0.74 3.97 0.40 0.19 -0.11 117.98 126.37 1vi8 s PHE 119 Ca -0.07 -0.27 -0.07 0.00 -0.60 0.00 0.00 56.93 55.92 1vi8 s PHE 119 Cb -0.16 -1.29 0.16 0.00 0.51 0.00 0.00 43.02 42.24 1vi8 s PHE 119 CO 0.02 0.44 1.01 -0.40 0.70 0.00 0.00 175.22 176.99 1vi8 n ASP 120 N 0.47 0.69 0.18 1.36 3.85 -0.26 0.07 116.55 122.91 1vi8 n ASP 120 Ca -0.14 -1.74 0.11 0.00 -0.71 0.00 0.00 54.79 52.32 1vi8 n ASP 120 Cb 0.54 -0.71 0.57 0.00 -1.35 0.00 0.00 41.12 40.17 1vi8 n ASP 120 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1vi8 h GLU 121 N 0.00 0.00 -0.67 0.11 5.08 -1.86 -1.68 114.58 115.56 1vi8 h GLU 121 Ca -0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1vi8 h GLU 121 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1vi8 h GLU 121 CO 0.29 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.93 1vi8 n LYS 122 N -2.27 2.82 -0.89 2.33 5.02 -1.26 -4.93 118.16 118.99 1vi8 n LYS 122 Ca -0.01 -2.60 0.00 0.00 -2.02 0.00 0.00 58.31 53.68 1vi8 n LYS 122 Cb 0.13 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 1vi8 n LYS 122 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vi8 n GLY 123 N 1.45 0.53 3.72 0.72 0.00 -0.63 -5.03 105.19 105.95 1vi8 n GLY 123 Ca 0.23 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.54 4.34 0.29 1.61 0.52 -1.26 -4.83 118.95 119.08 1vi8 s ARG 124 Ca 0.00 0.46 -0.30 0.00 -0.52 0.00 0.00 55.73 55.37 1vi8 s ARG 124 Cb 0.00 -3.44 -0.11 0.00 0.52 0.00 0.00 34.95 31.93 1vi8 s ARG 124 CO 0.00 0.16 1.48 -1.17 0.02 0.00 0.00 175.30 175.79 1vi8 s LEU 125 N 0.63 4.37 0.00 2.53 2.96 -1.26 -1.10 118.68 126.80 1vi8 s LEU 125 Ca 0.26 2.81 0.00 0.00 -0.22 0.00 0.00 54.13 56.98 1vi8 s LEU 125 Cb -0.15 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 42.90 1vi8 s LEU 125 CO 0.10 -0.77 0.00 0.00 -1.32 0.00 0.00 176.35 174.36 1vi8 s SER 128 N 1.06 3.42 0.05 0.00 0.15 -0.82 -1.07 113.70 116.49 1vi8 s SER 128 Ca -0.07 -0.54 0.01 0.00 0.70 0.00 0.00 55.95 56.05 1vi8 s SER 128 Cb -0.07 -1.52 -0.03 0.00 -1.71 0.00 0.00 66.02 62.69 1vi8 s SER 128 CO -0.08 0.07 -0.06 -0.55 1.20 0.00 0.00 173.24 173.82 1vi8 s SER 129 N 0.90 0.74 -0.02 5.45 0.15 -0.06 -0.96 113.70 119.89 1vi8 s SER 129 Ca -0.04 -0.69 0.04 0.00 0.70 0.00 0.00 55.95 55.96 1vi8 s SER 129 Cb -0.15 0.08 -0.01 0.00 -1.71 0.00 0.00 66.02 64.23 1vi8 s SER 129 CO -0.02 -0.33 -0.14 -0.13 1.20 0.00 0.00 173.24 173.82 1vi8 s ARG 130 N -2.30 1.32 -0.08 5.44 0.52 -0.69 0.01 118.95 123.18 1vi8 s ARG 130 Ca -0.05 -0.51 0.03 0.00 -0.52 0.00 0.00 55.73 54.68 1vi8 s ARG 130 Cb -0.05 -1.23 0.01 0.00 0.52 0.00 0.00 34.95 34.20 1vi8 s ARG 130 CO -0.02 0.26 -0.17 -1.17 0.02 0.00 0.00 175.30 174.22 1vi8 s LEU 131 N -0.14 1.81 -0.20 2.53 2.96 0.90 -1.33 118.68 125.20 1vi8 s LEU 131 Ca 0.02 -0.40 -0.05 0.00 -0.22 0.00 0.00 54.13 53.47 1vi8 s LEU 131 Cb -0.08 -1.06 -0.02 0.00 0.50 0.00 0.00 46.19 45.53 1vi8 s LEU 131 CO 0.00 0.08 0.00 -0.89 -1.32 0.00 0.00 176.35 174.22 1vi8 s THR 132 N 0.58 3.94 0.28 3.68 2.01 0.49 0.13 115.64 126.76 1vi8 s THR 132 Ca -0.15 -0.31 0.11 0.00 0.31 0.00 0.00 61.69 61.64 1vi8 s THR 132 Cb -0.17 -2.79 -0.05 0.00 0.01 0.00 0.00 72.50 69.51 1vi8 s THR 132 CO 0.05 0.42 -0.10 0.42 -0.69 0.00 0.00 174.62 174.73 1vi8 s THR 133 N 1.04 2.85 -0.10 -0.82 -4.23 0.71 -0.39 115.64 114.70 1vi8 s THR 133 Ca 0.02 -2.17 0.02 0.00 -1.18 0.00 0.00 61.69 58.38 1vi8 s THR 133 Cb -0.14 -2.57 -0.02 0.00 1.34 0.00 0.00 72.50 71.11 1vi8 s THR 133 CO 0.02 -0.36 -0.16 0.00 -0.54 0.00 0.00 174.62 173.57 1vi8 s ALA 134 N -2.45 2.52 -0.22 3.99 0.00 0.04 -1.42 121.76 124.22 1vi8 s ALA 134 Ca 0.31 -0.94 -0.19 0.00 0.00 0.00 0.00 51.96 51.14 1vi8 s ALA 134 Cb -0.05 -1.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.01 1vi8 s ALA 134 CO 0.17 0.35 0.55 0.42 0.00 0.00 0.00 175.76 177.25 1vi8 s ILE 135 N 0.02 5.07 -0.02 0.00 1.01 -0.28 -1.22 121.20 125.79 1vi8 s ILE 135 Ca -0.06 0.99 0.01 0.00 0.00 0.00 0.00 60.65 61.60 1vi8 s ILE 135 Cb -0.15 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 1vi8 s ILE 135 CO 0.05 0.13 -0.02 -0.76 0.00 0.00 0.00 174.94 174.33 1vi8 s LEU 136 N 1.91 3.39 0.00 2.97 1.43 0.14 -4.86 118.68 123.67 1vi8 s LEU 136 Ca 0.24 -0.02 0.27 0.00 -1.03 0.00 0.00 54.13 53.59 1vi8 s LEU 136 Cb -0.16 -1.89 0.74 0.00 0.03 0.00 0.00 46.19 44.92 1vi8 s LEU 136 CO 0.09 0.31 1.57 -0.62 0.23 0.00 0.00 176.35 177.94