#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 3.40 0.13 -3.43 1.98 -1.26 -3.99 118.68 115.51 1vi8 s LEU 1 Ca 0.00 1.01 0.19 0.00 -2.89 0.00 0.00 54.13 52.44 1vi8 s LEU 1 Cb 0.00 -2.52 -0.07 0.00 0.66 0.00 0.00 46.19 44.25 1vi8 s LEU 1 CO 0.00 -2.82 0.93 0.16 -1.89 0.00 0.00 176.35 172.73 1vi8 h ILE 2 N 7.60 0.31 -2.67 6.68 3.07 -1.82 -3.47 117.51 127.21 1vi8 h ILE 2 Ca -0.25 -1.60 -0.54 0.00 1.55 0.00 0.00 64.86 64.02 1vi8 h ILE 2 Cb 1.26 1.83 0.01 0.00 -0.27 0.00 0.00 36.82 39.65 1vi8 h ILE 2 CO 1.16 0.17 1.02 0.26 -1.05 0.00 0.00 178.15 179.72 1vi8 s TRP 3 N -3.10 2.26 -1.19 0.16 0.23 -1.26 -4.71 118.94 111.33 1vi8 s TRP 3 Ca -0.02 0.29 0.23 0.00 -2.03 0.00 0.00 56.10 54.58 1vi8 s TRP 3 Cb 0.09 -3.93 0.21 0.00 0.03 0.00 0.00 33.47 29.86 1vi8 s TRP 3 CO 0.80 -3.80 1.21 1.63 0.96 0.00 0.00 176.95 177.74 1vi8 n LYS 4 N 6.18 0.22 -4.63 4.98 5.02 0.00 -4.92 118.16 125.02 1vi8 n LYS 4 Ca 0.16 -0.16 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 1vi8 n LYS 4 Cb 0.42 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.82 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 -2.89 1.97 -0.04 1.97 0.52 -1.08 -4.90 118.95 114.49 1vi8 s ARG 5 Ca 0.12 -2.14 0.06 0.00 -0.52 0.00 0.00 55.73 53.26 1vi8 s ARG 5 Cb 0.17 -1.55 -0.01 0.00 0.52 0.00 0.00 34.95 34.08 1vi8 s ARG 5 CO 0.73 -0.11 -0.23 0.21 0.02 0.00 0.00 175.30 175.92 1vi8 s LYS 6 N -3.75 2.24 -0.07 3.54 2.47 -1.26 -5.03 119.74 117.88 1vi8 s LYS 6 Ca 0.31 -0.84 -0.31 0.00 -1.56 0.00 0.00 55.97 53.57 1vi8 s LYS 6 Cb 0.09 -1.97 0.08 0.00 -1.46 0.00 0.00 37.83 34.56 1vi8 s LYS 6 CO 0.16 0.39 0.73 -1.50 0.16 0.00 0.00 175.35 175.28 1vi8 s ILE 7 N -0.24 0.00 0.25 5.43 2.07 -1.26 -5.14 121.20 122.31 1vi8 s ILE 7 Ca -0.00 0.00 0.08 0.00 -1.41 0.00 0.00 60.65 59.31 1vi8 s ILE 7 Cb -0.12 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.43 1vi8 s ILE 7 CO 0.02 0.00 0.14 0.42 -1.91 0.00 0.00 174.94 173.61 1vi8 s THR 8 N -1.12 4.18 0.37 4.00 -4.23 -1.26 -4.97 115.64 112.60 1vi8 s THR 8 Ca -0.09 -1.51 0.09 0.00 -1.18 0.00 0.00 61.69 59.00 1vi8 s THR 8 Cb -0.00 -3.24 0.32 0.00 1.34 0.00 0.00 72.50 70.92 1vi8 s THR 8 CO 0.08 -0.33 1.91 -0.07 -0.54 0.00 0.00 174.62 175.67 1vi8 h LEU 9 N 1.70 0.61 0.36 4.79 3.38 -1.98 0.20 115.31 124.37 1vi8 h LEU 9 Ca -0.47 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 1vi8 h LEU 9 Cb 1.24 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1vi8 h LEU 9 CO 0.61 0.34 -0.17 -0.33 0.09 0.00 0.00 178.44 178.98 1vi8 h GLU 10 N 0.67 -0.47 -0.52 1.13 3.07 -1.95 0.14 114.58 116.65 1vi8 h GLU 10 Ca 0.39 0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 59.21 1vi8 h GLU 10 Cb 0.59 0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.58 1vi8 h GLU 10 CO -0.16 -0.25 0.04 0.00 -1.40 0.00 0.00 179.01 177.25 1vi8 h ALA 11 N 0.01 1.10 -0.12 3.43 0.00 -1.83 -2.25 119.26 119.60 1vi8 h ALA 11 Ca -0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1vi8 h ALA 11 Cb 0.44 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1vi8 h ALA 11 CO 0.08 0.58 0.05 1.25 0.00 0.00 0.00 179.25 181.21 1vi8 h LEU 12 N 0.80 0.16 -1.53 0.00 5.85 -0.50 -2.87 115.31 117.23 1vi8 h LEU 12 Ca 0.16 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1vi8 h LEU 12 Cb 0.42 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 1vi8 h LEU 12 CO 0.01 0.26 -0.16 0.78 -0.34 0.00 0.00 178.44 178.99 1vi8 h ASN 13 N 0.05 0.00 0.60 1.25 2.35 -0.84 -2.49 115.58 116.51 1vi8 h ASN 13 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1vi8 h ASN 13 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1vi8 h ASN 13 CO -0.00 0.16 0.00 0.00 -1.65 0.00 0.00 177.43 175.94 1vi8 n ALA 14 N -2.24 1.81 0.11 -0.83 0.00 -0.86 -2.73 120.51 115.78 1vi8 n ALA 14 Ca -0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 53.44 53.34 1vi8 n ALA 14 Cb 0.33 -1.29 0.14 0.00 0.00 0.00 0.00 19.45 18.64 1vi8 n ALA 14 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1vi8 h MET 15 N 0.00 0.13 -0.00 0.00 2.86 -1.46 -3.26 114.93 113.21 1vi8 h MET 15 Ca 0.00 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1vi8 h MET 15 Cb 0.30 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1vi8 h MET 15 CO 0.00 0.71 -0.08 0.41 1.06 0.00 0.00 176.91 179.01 1vi8 n GLY 16 N 0.27 -1.39 3.68 8.32 0.00 -1.10 -4.83 105.19 110.14 1vi8 n GLY 16 Ca -0.02 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.89 4.19 0.00 1.61 -6.30 -1.23 -0.51 118.70 113.57 1vi8 s GLU 17 Ca 0.17 2.33 0.00 0.00 -2.50 0.00 0.00 54.97 54.97 1vi8 s GLU 17 Cb 0.19 -3.76 0.00 0.00 0.00 0.00 0.00 34.13 30.56 1vi8 s GLU 17 CO 0.54 -0.79 0.00 0.41 0.02 0.00 0.00 175.26 175.44 1vi8 n GLY 18 N 4.09 0.74 3.31 -1.50 0.00 -1.26 -4.96 105.19 105.60 1vi8 n GLY 18 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 1vi8 n GLY 18 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1vi8 n ASN 19 N 0.00 -0.97 -0.29 1.61 0.23 -0.97 -5.04 115.26 109.83 1vi8 n ASN 19 Ca 0.00 -3.11 0.10 0.00 -0.53 0.00 0.00 54.58 51.05 1vi8 n ASN 19 Cb 0.00 2.03 0.26 0.00 -2.08 0.00 0.00 39.78 39.99 1vi8 n ASN 19 CO 0.00 0.00 0.00 -0.03 -0.93 0.00 0.00 177.26 176.30 1vi8 h MET 20 N 0.00 0.30 -0.19 -3.83 1.85 -1.97 -1.09 114.93 110.00 1vi8 h MET 20 Ca -0.25 -0.02 0.05 0.00 -0.61 0.00 0.00 59.70 58.87 1vi8 h MET 20 Cb 1.21 -0.07 -0.05 0.00 0.43 0.00 0.00 31.60 33.12 1vi8 h MET 20 CO 0.36 0.20 -0.15 0.28 -0.40 0.00 0.00 176.91 177.20 1vi8 h VAL 21 N 0.31 0.58 -0.13 -5.77 2.07 -1.96 -0.10 116.25 111.26 1vi8 h VAL 21 Ca 0.51 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.91 1vi8 h VAL 21 Cb 0.95 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1vi8 h VAL 21 CO -0.55 0.00 -0.44 1.23 0.02 0.00 0.00 177.57 177.83 1vi8 h GLY 22 N -0.15 0.33 2.00 2.17 0.00 -0.02 -1.61 103.07 105.79 1vi8 h GLY 22 Ca 0.12 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 47.04 1vi8 h GLY 22 CO -0.29 0.30 -0.35 0.74 0.00 0.00 0.00 176.54 176.94 1vi8 h PHE 23 N 0.25 0.00 -0.26 5.60 0.05 -0.56 -1.94 116.94 120.08 1vi8 h PHE 23 Ca 0.02 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.81 1vi8 h PHE 23 Cb 0.88 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.83 1vi8 h PHE 23 CO 0.02 0.35 0.00 1.28 -0.18 0.00 0.00 178.31 179.78 1vi8 n LEU 24 N -3.95 2.55 -3.73 1.54 4.77 -0.11 -4.93 117.00 113.13 1vi8 n LEU 24 Ca -0.02 -1.07 -0.26 0.00 -0.03 0.00 0.00 56.01 54.63 1vi8 n LEU 24 Cb 0.41 -0.17 0.06 0.00 -2.33 0.00 0.00 43.42 41.39 1vi8 n LEU 24 CO 0.38 0.54 0.19 -0.67 -1.33 0.00 0.00 177.39 176.49 1vi8 n ASP 25 N 0.91 -5.65 -4.69 -1.43 4.64 -0.73 -4.24 116.55 105.36 1vi8 n ASP 25 Ca 0.17 -0.64 -0.42 0.00 -1.38 0.00 0.00 54.79 52.52 1vi8 n ASP 25 Cb 0.47 -4.56 -0.03 0.00 -1.04 0.00 0.00 41.12 35.97 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 4.48 -0.09 5.18 1.01 -0.63 -4.34 121.20 123.50 1vi8 s ILE 26 Ca 0.61 1.78 0.01 0.00 0.00 0.00 0.00 60.65 63.05 1vi8 s ILE 26 Cb -0.28 -4.15 0.02 0.00 0.01 0.00 0.00 42.46 38.06 1vi8 s ILE 26 CO 0.77 0.01 -0.10 0.00 0.00 0.00 0.00 174.94 175.62 1vi8 s ARG 27 N 2.05 1.66 0.21 2.79 1.70 0.57 -4.73 118.95 123.19 1vi8 s ARG 27 Ca 0.53 -0.35 -0.30 0.00 -0.47 0.00 0.00 55.73 55.14 1vi8 s ARG 27 Cb -0.22 -1.54 -0.08 0.00 -0.57 0.00 0.00 34.95 32.53 1vi8 s ARG 27 CO 0.21 -0.13 1.21 -0.06 -1.08 0.00 0.00 175.30 175.45 1vi8 s PHE 28 N 1.23 3.39 0.00 5.89 0.40 -1.26 -0.51 117.98 127.11 1vi8 s PHE 28 Ca -0.04 1.42 0.00 0.00 -0.60 0.00 0.00 56.93 57.71 1vi8 s PHE 28 Cb -0.14 -3.46 0.00 0.00 0.51 0.00 0.00 43.02 39.93 1vi8 s PHE 28 CO -0.03 -1.29 0.15 0.39 0.70 0.00 0.00 175.22 175.13 1vi8 n GLU 29 N 2.27 1.26 -3.65 0.44 1.02 -0.10 -4.93 120.64 116.95 1vi8 n GLU 29 Ca 0.04 -0.15 -0.11 0.00 -0.02 0.00 0.00 57.16 56.92 1vi8 n GLU 29 Cb 0.44 -0.55 -0.08 0.00 -0.02 0.00 0.00 31.44 31.24 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 -0.22 -0.86 -0.31 -0.32 5.04 -1.14 -4.98 115.29 112.50 1vi8 s HIS 30 Ca 0.00 1.90 0.00 0.00 -1.54 0.00 0.00 55.06 55.42 1vi8 s HIS 30 Cb 0.00 0.41 0.10 0.00 0.04 0.00 0.00 32.58 33.13 1vi8 s HIS 30 CO 0.00 -0.42 0.08 0.42 -2.34 0.00 0.00 174.74 172.47 1vi8 s ILE 31 N 0.95 1.26 0.00 0.89 1.01 -1.26 -1.05 121.20 123.00 1vi8 s ILE 31 Ca -0.05 -1.61 0.00 0.00 0.00 0.00 0.00 60.65 58.99 1vi8 s ILE 31 Cb -0.05 -1.92 0.00 0.00 0.01 0.00 0.00 42.46 40.50 1vi8 s ILE 31 CO -0.09 -0.62 0.00 0.61 0.00 0.00 0.00 174.94 174.85 1vi8 n GLY 32 N 4.69 1.03 0.26 6.18 0.00 -0.10 -4.99 105.19 112.26 1vi8 n GLY 32 Ca -0.01 -1.99 -0.05 0.00 0.00 0.00 0.00 46.02 43.96 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 0.00 0.65 -0.00 1.61 3.45 -2.00 -3.35 116.42 116.78 1vi8 h ASP 33 Ca 0.00 -0.21 -0.17 0.00 0.43 0.00 0.00 57.03 57.08 1vi8 h ASP 33 Cb 0.00 -0.18 -0.36 0.00 -0.56 0.00 0.00 39.33 38.23 1vi8 h ASP 33 CO 0.00 0.85 -1.00 -0.90 -1.57 0.00 0.00 179.24 176.62 1vi8 n ASP 34 N -4.13 1.06 -3.68 6.45 3.85 -1.26 -2.21 116.55 116.63 1vi8 n ASP 34 Ca 0.00 -2.15 -0.12 0.00 -0.71 0.00 0.00 54.79 51.81 1vi8 n ASP 34 Cb 0.40 -0.32 -0.06 0.00 -1.35 0.00 0.00 41.12 39.79 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 -0.27 0.07 -0.04 2.12 -4.23 -1.26 -4.33 115.64 107.70 1vi8 s THR 35 Ca 0.34 -0.54 0.01 0.00 -1.18 0.00 0.00 61.69 60.32 1vi8 s THR 35 Cb 0.39 -1.00 0.02 0.00 1.34 0.00 0.00 72.50 73.25 1vi8 s THR 35 CO -0.16 -0.30 -0.04 -0.22 -0.54 0.00 0.00 174.62 173.36 1vi8 s LEU 36 N -2.18 1.35 0.04 4.79 2.96 -0.83 -0.92 118.68 123.90 1vi8 s LEU 36 Ca -0.03 -0.11 0.08 0.00 -0.22 0.00 0.00 54.13 53.85 1vi8 s LEU 36 Cb -0.00 -0.39 -0.03 0.00 0.50 0.00 0.00 46.19 46.27 1vi8 s LEU 36 CO -0.04 -0.05 -0.24 -1.61 -1.32 0.00 0.00 176.35 173.09 1vi8 s GLU 37 N 0.85 1.59 -0.10 1.98 2.02 -0.21 -1.21 118.70 123.62 1vi8 s GLU 37 Ca -0.11 -1.02 -0.19 0.00 0.02 0.00 0.00 54.97 53.67 1vi8 s GLU 37 Cb -0.14 -1.74 0.04 0.00 0.10 0.00 0.00 34.13 32.40 1vi8 s GLU 37 CO -0.00 0.45 0.46 0.00 0.02 0.00 0.00 175.26 176.19 1vi8 s ALA 38 N -0.80 -1.16 0.28 5.21 0.00 -0.48 -0.93 121.76 123.89 1vi8 s ALA 38 Ca 0.10 0.99 0.07 0.00 0.00 0.00 0.00 51.96 53.12 1vi8 s ALA 38 Cb -0.09 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 1vi8 s ALA 38 CO 0.02 -0.26 0.22 0.95 0.00 0.00 0.00 175.76 176.68 1vi8 s THR 39 N -0.56 4.03 -0.15 0.00 -4.23 0.33 0.61 115.64 115.67 1vi8 s THR 39 Ca -0.07 -1.43 -0.14 0.00 -1.18 0.00 0.00 61.69 58.88 1vi8 s THR 39 Cb -0.03 -3.28 0.04 0.00 1.34 0.00 0.00 72.50 70.56 1vi8 s THR 39 CO 0.04 -0.28 0.40 -0.32 -0.54 0.00 0.00 174.62 173.91 1vi8 s MET 40 N -3.89 0.46 0.45 3.99 0.00 -0.65 -0.31 119.30 119.34 1vi8 s MET 40 Ca 0.36 0.56 -0.22 0.00 0.00 0.00 0.00 55.69 56.39 1vi8 s MET 40 Cb -0.07 0.21 -0.09 0.00 0.00 0.00 0.00 34.83 34.88 1vi8 s MET 40 CO 0.25 -0.06 1.03 -1.25 0.00 0.00 0.00 175.02 174.99 1vi8 s PRO 41 N 0.28 4.00 -0.84 4.11 0.04 -1.26 -0.96 135.00 140.36 1vi8 s PRO 41 Ca -0.01 1.38 -0.11 0.00 0.04 0.00 0.00 61.00 62.31 1vi8 s PRO 41 Cb -0.03 -2.27 0.22 0.00 0.04 0.00 0.00 34.50 32.46 1vi8 s PRO 41 CO -0.00 -0.27 0.76 0.08 0.04 0.00 0.00 177.00 177.62 1vi8 s VAL 42 N -1.89 5.27 0.00 -0.36 1.01 -0.34 -4.68 120.40 119.41 1vi8 s VAL 42 Ca 0.63 -2.78 0.00 0.00 0.00 0.00 0.00 61.98 59.83 1vi8 s VAL 42 Cb -0.17 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 31.94 1vi8 s VAL 42 CO 0.22 -1.03 0.00 -0.90 0.00 0.00 0.00 175.10 173.39 1vi8 n ASP 43 N 3.60 0.00 -0.10 3.32 3.85 -1.26 -4.40 116.55 121.56 1vi8 n ASP 43 Ca 0.15 -0.69 0.26 0.00 -0.71 0.00 0.00 54.79 53.80 1vi8 n ASP 43 Cb 0.44 0.00 0.71 0.00 -1.35 0.00 0.00 41.12 40.92 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 0.77 -1.12 4.64 -1.94 0.27 113.55 116.17 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 -0.37 0.54 -0.87 0.00 0.00 176.83 176.13 1vi8 n ARG 45 N -3.95 0.08 0.00 4.77 1.74 -1.26 -4.18 116.66 113.86 1vi8 n ARG 45 Ca 0.15 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 1vi8 n ARG 45 Cb 0.92 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.79 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 -1.69 0.00 -3.02 0.55 -2.24 0.66 -5.03 114.28 103.51 1vi8 n THR 46 Ca 0.05 -0.34 -0.28 0.00 -2.27 0.00 0.00 64.05 61.21 1vi8 n THR 46 Cb 0.37 1.24 -0.02 0.00 -2.10 0.00 0.00 70.33 69.81 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 -0.17 3.64 0.56 -0.78 1.02 0.46 -0.69 119.74 123.79 1vi8 s LYS 47 Ca 0.00 0.17 0.01 0.00 0.02 0.00 0.00 55.97 56.16 1vi8 s LYS 47 Cb 0.00 -2.50 0.04 0.00 -0.52 0.00 0.00 37.83 34.84 1vi8 s LYS 47 CO 0.00 0.03 0.79 1.14 -0.92 0.00 0.00 175.35 176.39 1vi8 s GLN 48 N -4.00 2.51 0.63 1.68 1.03 0.44 -4.61 119.66 117.34 1vi8 s GLN 48 Ca 0.47 -0.74 0.19 0.00 0.04 0.00 0.00 55.36 55.32 1vi8 s GLN 48 Cb -0.10 -2.46 0.84 0.00 0.03 0.00 0.00 33.01 31.31 1vi8 s GLN 48 CO 0.34 -0.76 1.40 -1.35 -2.54 0.00 0.00 175.29 172.39 1vi8 h PRO 49 N 0.01 0.00 -0.55 9.60 0.11 -1.99 -2.01 132.00 137.18 1vi8 h PRO 49 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1vi8 h PRO 49 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1vi8 h PRO 49 CO 0.53 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.51 1vi8 n PHE 50 N -3.03 1.71 -0.72 0.65 3.72 -1.26 -4.95 117.46 113.58 1vi8 n PHE 50 Ca 0.10 -0.71 0.00 0.00 -0.05 0.00 0.00 57.45 56.79 1vi8 n PHE 50 Cb 1.05 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 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 0.61 0.86 3.92 1.37 0.00 -0.75 -5.05 105.19 106.14 1vi8 n GLY 51 Ca 0.26 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 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 4.03 0.09 0.99 1.43 -1.26 -4.72 118.68 119.24 1vi8 s LEU 52 Ca 0.00 -0.13 -0.32 0.00 -1.03 0.00 0.00 54.13 52.65 1vi8 s LEU 52 Cb 0.00 -2.62 -0.11 0.00 0.03 0.00 0.00 46.19 43.49 1vi8 s LEU 52 CO 0.00 -0.16 1.84 -0.11 0.23 0.00 0.00 176.35 178.15 1vi8 n LEU 53 N -1.38 3.91 -4.74 1.79 7.94 0.35 -0.42 117.00 124.46 1vi8 n LEU 53 Ca -0.06 0.98 -0.41 0.00 -1.11 0.00 0.00 56.01 55.40 1vi8 n LEU 53 Cb 0.58 -1.51 -0.03 0.00 0.53 0.00 0.00 43.42 42.99 1vi8 n LEU 53 CO 0.44 0.11 1.07 -2.28 -1.11 0.00 0.00 177.39 175.62 1vi8 s HIS 54 N 2.99 3.11 0.40 1.96 5.65 0.13 -4.67 115.29 124.86 1vi8 s HIS 54 Ca 0.84 1.05 0.06 0.00 0.25 0.00 0.00 55.06 57.27 1vi8 s HIS 54 Cb -0.52 -3.75 0.82 0.00 -1.18 0.00 0.00 32.58 27.95 1vi8 s HIS 54 CO 0.40 -2.45 2.04 0.78 -0.65 0.00 0.00 174.74 174.85 1vi8 h GLY 55 N 5.40 0.60 1.74 1.59 0.00 -1.91 -1.68 103.07 108.80 1vi8 h GLY 55 Ca -0.45 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 46.59 1vi8 h GLY 55 CO 0.79 0.23 -0.13 -1.33 0.00 0.00 0.00 176.54 176.10 1vi8 h GLY 56 N 0.61 0.35 1.03 4.60 0.00 -1.94 -2.22 103.07 105.51 1vi8 h GLY 56 Ca 0.15 -0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.17 1vi8 h GLY 56 CO -0.03 0.21 0.01 0.00 0.00 0.00 0.00 176.54 176.73 1vi8 h ALA 57 N 1.56 0.72 -0.85 3.60 0.00 -1.59 0.32 119.26 123.02 1vi8 h ALA 57 Ca 0.06 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1vi8 h ALA 57 Cb 0.42 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1vi8 h ALA 57 CO 0.02 0.53 0.56 0.77 0.00 0.00 0.00 179.25 181.14 1vi8 h SER 58 N 0.81 0.94 0.25 0.00 0.02 -1.29 -1.15 113.55 113.12 1vi8 h SER 58 Ca 0.15 -0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 60.93 1vi8 h SER 58 Cb 0.52 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1vi8 h SER 58 CO 0.03 0.66 -0.62 0.58 -1.14 0.00 0.00 176.83 176.33 1vi8 h VAL 59 N 1.10 1.37 -0.55 2.27 2.07 -0.76 -1.19 116.25 120.55 1vi8 h VAL 59 Ca 0.33 -1.97 -0.06 0.00 0.82 0.00 0.00 66.70 65.82 1vi8 h VAL 59 Cb -0.03 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1vi8 h VAL 59 CO -0.09 0.59 0.09 0.58 0.02 0.00 0.00 177.57 178.76 1vi8 h VAL 60 N 0.26 1.24 -0.05 2.57 2.07 -0.21 -0.10 116.25 122.03 1vi8 h VAL 60 Ca -0.01 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 1vi8 h VAL 60 Cb 1.15 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1vi8 h VAL 60 CO 0.10 0.34 0.02 0.25 0.02 0.00 0.00 177.57 178.30 1vi8 h LEU 61 N 0.83 0.07 0.03 2.57 5.85 -0.97 -0.66 115.31 123.03 1vi8 h LEU 61 Ca 0.17 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1vi8 h LEU 61 Cb 0.37 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1vi8 h LEU 61 CO 0.01 0.23 -0.21 0.00 -0.34 0.00 0.00 178.44 178.12 1vi8 h ALA 62 N 0.84 -0.30 -0.21 1.25 0.00 -0.85 -1.23 119.26 118.77 1vi8 h ALA 62 Ca 0.02 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1vi8 h ALA 62 Cb 0.18 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1vi8 h ALA 62 CO -0.00 -0.72 -0.27 1.49 0.00 0.00 0.00 179.25 179.75 1vi8 h GLU 63 N -0.36 0.40 -0.50 0.00 4.81 -1.01 -0.95 114.58 116.98 1vi8 h GLU 63 Ca 0.05 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1vi8 h GLU 63 Cb 0.42 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1vi8 h GLU 63 CO -0.18 0.64 0.21 0.77 -0.73 0.00 0.00 179.01 179.73 1vi8 h SER 64 N 0.35 0.68 -0.15 1.04 0.02 -0.75 -0.04 113.55 114.71 1vi8 h SER 64 Ca 0.05 -0.16 -0.18 0.00 -0.84 0.00 0.00 61.79 60.67 1vi8 h SER 64 Cb 0.66 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 63.03 1vi8 h SER 64 CO 0.05 0.65 -0.60 0.40 -1.14 0.00 0.00 176.83 176.19 1vi8 h ILE 65 N 0.67 1.32 -0.54 3.27 2.04 -1.07 -3.23 117.51 119.97 1vi8 h ILE 65 Ca 0.17 -1.85 -0.08 0.00 1.00 0.00 0.00 64.86 64.10 1vi8 h ILE 65 Cb 0.17 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 1vi8 h ILE 65 CO -0.02 0.57 0.01 1.23 0.00 0.00 0.00 178.15 179.95 1vi8 h GLY 66 N 0.35 0.99 0.93 5.37 0.00 -1.08 -1.86 103.07 107.78 1vi8 h GLY 66 Ca -0.03 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 46.59 1vi8 h GLY 66 CO 0.13 0.63 -0.22 1.76 0.00 0.00 0.00 176.54 178.84 1vi8 h SER 67 N 0.85 -0.52 -0.82 0.19 0.02 -1.09 -0.20 113.55 111.97 1vi8 h SER 67 Ca 0.16 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1vi8 h SER 67 Cb 0.49 0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.13 1vi8 h SER 67 CO 0.02 -0.32 0.37 -0.37 -1.14 0.00 0.00 176.83 175.39 1vi8 h VAL 68 N -0.69 1.26 -0.95 2.27 -1.51 -1.58 -1.14 116.25 113.91 1vi8 h VAL 68 Ca -0.06 -0.76 0.01 0.00 -1.23 0.00 0.00 66.70 64.65 1vi8 h VAL 68 Cb 0.51 0.24 -0.05 0.00 -2.13 0.00 0.00 31.29 29.87 1vi8 h VAL 68 CO 0.10 0.32 0.63 0.00 -1.23 0.00 0.00 177.57 177.39 1vi8 h ALA 69 N 1.20 1.20 -0.38 5.19 0.00 -1.22 -0.49 119.26 124.76 1vi8 h ALA 69 Ca 0.28 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1vi8 h ALA 69 Cb 0.16 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1vi8 h ALA 69 CO -0.03 0.60 0.19 0.78 0.00 0.00 0.00 179.25 180.79 1vi8 h GLY 70 N 1.29 0.58 0.38 0.00 0.00 -0.38 -2.79 103.07 102.15 1vi8 h GLY 70 Ca 0.35 -0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.41 1vi8 h GLY 70 CO -0.07 0.27 -0.38 -1.82 0.00 0.00 0.00 176.54 174.54 1vi8 h TYR 71 N 0.48 -1.05 0.00 5.60 3.20 -0.38 -0.68 116.97 124.13 1vi8 h TYR 71 Ca 0.13 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1vi8 h TYR 71 Cb 0.11 0.44 0.00 0.00 1.54 0.00 0.00 36.73 38.82 1vi8 h TYR 71 CO -0.01 -0.49 0.22 1.28 -1.64 0.00 0.00 178.16 177.52 1vi8 n LEU 72 N -5.45 0.26 -1.30 2.82 4.77 -0.27 -0.61 117.00 117.22 1vi8 n LEU 72 Ca -0.07 0.51 0.10 0.00 -0.03 0.00 0.00 56.01 56.51 1vi8 n LEU 72 Cb 0.36 -0.49 0.30 0.00 -2.33 0.00 0.00 43.42 41.27 1vi8 n LEU 72 CO 0.22 -0.60 0.76 0.00 -1.33 0.00 0.00 177.39 176.44 1vi8 n THR 74 N 1.21 0.00 -3.66 0.00 -2.24 0.22 -4.74 114.28 105.06 1vi8 n THR 74 Ca 0.23 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.99 1vi8 n THR 74 Cb 0.69 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.91 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 0.40 0.76 5.23 -0.78 -1.05 -1.26 -4.28 118.70 117.71 1vi8 s GLU 75 Ca 0.00 -0.40 0.00 0.00 -0.15 0.00 0.00 54.97 54.42 1vi8 s GLU 75 Cb 0.00 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 1vi8 s GLU 75 CO 0.00 -0.34 0.00 0.41 0.95 0.00 0.00 175.26 176.28 1vi8 n GLY 76 N -0.43 2.03 0.18 -3.83 0.00 -1.26 -2.09 105.19 99.79 1vi8 n GLY 76 Ca -0.07 -0.56 0.12 0.00 0.00 0.00 0.00 46.02 45.51 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 12.33 1.24 -1.85 1.61 1.02 -1.26 -4.90 120.64 128.82 1vi8 n GLU 77 Ca 0.00 -0.35 -0.37 0.00 -0.02 0.00 0.00 57.16 56.42 1vi8 n GLU 77 Cb 0.00 -1.40 0.05 0.00 -0.02 0.00 0.00 31.44 30.07 1vi8 n GLU 77 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1vi8 s GLN 78 N -1.96 2.86 0.05 3.49 -0.21 -0.89 -4.88 119.66 118.12 1vi8 s GLN 78 Ca 0.36 2.02 -0.16 0.00 0.02 0.00 0.00 55.36 57.61 1vi8 s GLN 78 Cb 0.18 -1.99 0.03 0.00 1.00 0.00 0.00 33.01 32.23 1vi8 s GLN 78 CO 0.29 -1.35 0.35 0.15 -2.12 0.00 0.00 175.29 172.62 1vi8 s LYS 79 N -3.23 0.87 0.14 2.91 1.02 -0.94 -4.63 119.74 115.88 1vi8 s LYS 79 Ca 0.78 -0.45 0.05 0.00 0.02 0.00 0.00 55.97 56.36 1vi8 s LYS 79 Cb -0.36 0.38 -0.04 0.00 -0.52 0.00 0.00 37.83 37.29 1vi8 s LYS 79 CO 0.39 -0.29 0.08 0.14 -0.92 0.00 0.00 175.35 174.76 1vi8 s VAL 80 N -2.57 4.29 -0.06 3.17 -7.23 -1.26 0.07 120.40 116.81 1vi8 s VAL 80 Ca -0.05 -1.07 0.02 0.00 -1.81 0.00 0.00 61.98 59.07 1vi8 s VAL 80 Cb -0.01 -3.14 0.02 0.00 0.56 0.00 0.00 36.38 33.81 1vi8 s VAL 80 CO -0.03 -0.03 -0.09 0.54 -0.31 0.00 0.00 175.10 175.17 1vi8 s VAL 81 N -1.62 0.89 0.07 1.32 0.11 0.03 -4.94 120.40 116.27 1vi8 s VAL 81 Ca 0.29 -0.33 -0.31 0.00 -2.93 0.00 0.00 61.98 58.71 1vi8 s VAL 81 Cb -0.11 -0.85 -0.07 0.00 -1.53 0.00 0.00 36.38 33.83 1vi8 s VAL 81 CO 0.22 0.30 1.32 -0.83 -3.33 0.00 0.00 175.10 172.78 1vi8 s GLY 82 N 0.79 2.10 -0.27 6.54 0.00 -1.26 -0.21 107.32 115.01 1vi8 s GLY 82 Ca -0.13 0.97 -0.14 0.00 0.00 0.00 0.00 44.72 45.43 1vi8 s GLY 82 CO 0.02 2.27 -0.27 1.04 0.00 0.00 0.00 173.10 176.16 1vi8 n LEU 83 N 4.24 2.02 -3.84 0.66 4.77 0.19 -4.91 117.00 120.13 1vi8 n LEU 83 Ca 0.11 0.32 -0.12 0.00 -0.03 0.00 0.00 56.01 56.29 1vi8 n LEU 83 Cb 0.44 -0.85 -0.10 0.00 -2.33 0.00 0.00 43.42 40.59 1vi8 n LEU 83 CO 0.57 0.57 -0.12 -0.70 -1.33 0.00 0.00 177.39 176.39 1vi8 s GLU 84 N -2.49 0.52 -0.06 3.23 -6.30 -1.04 -5.01 118.70 107.54 1vi8 s GLU 84 Ca -0.37 -0.29 -0.07 0.00 -2.50 0.00 0.00 54.97 51.74 1vi8 s GLU 84 Cb 0.13 0.22 0.02 0.00 0.00 0.00 0.00 34.13 34.50 1vi8 s GLU 84 CO 0.51 -0.13 0.18 -1.50 0.02 0.00 0.00 175.26 174.35 1vi8 s ILE 85 N -1.26 0.01 0.10 -3.70 2.07 -1.26 -0.63 121.20 116.52 1vi8 s ILE 85 Ca -0.13 -0.06 -0.01 0.00 -1.41 0.00 0.00 60.65 59.04 1vi8 s ILE 85 Cb -0.07 -0.28 -0.04 0.00 0.13 0.00 0.00 42.46 42.20 1vi8 s ILE 85 CO 0.02 -0.03 0.01 0.54 -1.91 0.00 0.00 174.94 173.56 1vi8 s ASN 86 N -0.04 0.51 -0.08 4.50 2.20 -0.50 -5.00 114.94 116.54 1vi8 s ASN 86 Ca -0.01 -1.10 -0.30 0.00 -0.94 0.00 0.00 52.86 50.51 1vi8 s ASN 86 Cb -0.02 0.23 0.10 0.00 -2.00 0.00 0.00 41.25 39.56 1vi8 s ASN 86 CO 0.00 -0.64 0.86 0.00 -2.94 0.00 0.00 177.10 174.38 1vi8 s ALA 87 N -3.93 -1.84 -0.14 3.54 0.00 -1.26 -1.26 121.76 116.86 1vi8 s ALA 87 Ca 0.16 1.34 0.03 0.00 0.00 0.00 0.00 51.96 53.49 1vi8 s ALA 87 Cb 0.07 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.99 1vi8 s ALA 87 CO -0.04 -0.42 -0.22 -0.80 0.00 0.00 0.00 175.76 174.28 1vi8 s ASN 88 N -1.47 3.13 -0.40 0.00 -0.87 0.20 -4.97 114.94 110.56 1vi8 s ASN 88 Ca -0.03 -0.59 -0.19 0.00 -1.57 0.00 0.00 52.86 50.47 1vi8 s ASN 88 Cb -0.00 -1.45 0.01 0.00 -0.02 0.00 0.00 41.25 39.79 1vi8 s ASN 88 CO 0.01 0.09 0.57 -1.00 -2.57 0.00 0.00 177.10 174.20 1vi8 s HIS 89 N 0.75 3.13 -0.35 2.20 3.76 -1.26 -1.89 115.29 121.62 1vi8 s HIS 89 Ca -0.09 0.01 0.12 0.00 -0.15 0.00 0.00 55.06 54.95 1vi8 s HIS 89 Cb -0.16 -3.12 -0.15 0.00 1.11 0.00 0.00 32.58 30.27 1vi8 s HIS 89 CO -0.00 -0.71 0.41 1.33 -0.85 0.00 0.00 174.74 174.91 1vi8 n VAL 90 N 5.62 0.00 -3.63 -0.90 0.24 -0.93 -5.00 118.33 113.73 1vi8 n VAL 90 Ca -0.03 -0.24 -0.15 0.00 -2.04 0.00 0.00 64.34 61.87 1vi8 n VAL 90 Cb 0.48 0.72 -0.07 0.00 -1.47 0.00 0.00 33.84 33.50 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 -2.35 0.83 0.28 7.34 3.52 -1.19 -4.99 118.95 122.39 1vi8 s ARG 91 Ca 0.01 0.46 -0.00 0.00 -0.13 0.00 0.00 55.73 56.07 1vi8 s ARG 91 Cb 0.08 0.40 -0.04 0.00 -1.56 0.00 0.00 34.95 33.83 1vi8 s ARG 91 CO 0.48 -0.19 0.48 -1.54 -0.81 0.00 0.00 175.30 173.72 1vi8 s SER 92 N -0.51 6.35 -0.02 -2.12 1.04 -1.26 -4.60 113.70 112.57 1vi8 s SER 92 Ca -0.06 0.42 0.06 0.00 0.48 0.00 0.00 55.95 56.85 1vi8 s SER 92 Cb -0.03 -2.02 -0.02 0.00 0.10 0.00 0.00 66.02 64.06 1vi8 s SER 92 CO 0.05 -0.18 -0.20 0.00 0.98 0.00 0.00 173.24 173.89 1vi8 s ALA 93 N -2.10 1.70 -0.01 5.32 0.00 -1.26 -5.00 121.76 120.40 1vi8 s ALA 93 Ca 0.39 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1vi8 s ALA 93 Cb -0.10 -0.43 -0.00 0.00 0.00 0.00 0.00 23.12 22.58 1vi8 s ALA 93 CO 0.32 0.42 0.01 2.89 0.00 0.00 0.00 175.76 179.40 1vi8 n ARG 94 N 2.58 4.44 -3.94 0.00 1.85 -1.26 -0.49 116.66 119.83 1vi8 n ARG 94 Ca -0.15 -0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.61 1vi8 n ARG 94 Cb 0.53 -0.69 -0.03 0.00 -1.05 0.00 0.00 32.46 31.22 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 -1.39 1.76 5.01 2.89 -1.05 -1.26 -4.86 118.70 119.80 1vi8 s GLU 95 Ca 0.00 -1.27 0.00 0.00 -0.15 0.00 0.00 54.97 53.55 1vi8 s GLU 95 Cb 0.00 0.53 0.00 0.00 -0.44 0.00 0.00 34.13 34.22 1vi8 s GLU 95 CO 0.02 -0.77 0.00 0.41 0.95 0.00 0.00 175.26 175.86 1vi8 n GLY 96 N -0.45 1.00 3.01 -3.83 0.00 -1.26 -4.78 105.19 98.88 1vi8 n GLY 96 Ca -0.03 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 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 0.39 0.25 1.61 0.52 -1.26 -1.19 118.95 119.27 1vi8 s ARG 97 Ca 0.00 -0.58 0.06 0.00 -0.52 0.00 0.00 55.73 54.69 1vi8 s ARG 97 Cb 0.00 -0.14 -0.03 0.00 0.52 0.00 0.00 34.95 35.30 1vi8 s ARG 97 CO 0.00 0.02 0.27 0.14 0.02 0.00 0.00 175.30 175.75 1vi8 s VAL 98 N -1.16 4.76 -0.11 3.52 -7.23 -0.14 -3.41 120.40 116.63 1vi8 s VAL 98 Ca -0.10 -1.23 0.02 0.00 -1.81 0.00 0.00 61.98 58.86 1vi8 s VAL 98 Cb -0.08 -3.59 0.01 0.00 0.56 0.00 0.00 36.38 33.28 1vi8 s VAL 98 CO -0.00 -0.34 -0.16 -0.60 -0.31 0.00 0.00 175.10 173.69 1vi8 s ARG 99 N -3.91 2.34 -0.15 4.82 3.52 0.45 -1.64 118.95 124.39 1vi8 s ARG 99 Ca 0.34 -0.61 -0.11 0.00 -0.13 0.00 0.00 55.73 55.22 1vi8 s ARG 99 Cb -0.08 -1.97 -0.05 0.00 -1.56 0.00 0.00 34.95 31.29 1vi8 s ARG 99 CO 0.27 -0.05 0.23 0.20 -0.81 0.00 0.00 175.30 175.14 1vi8 s GLY 100 N 0.95 2.18 -0.18 8.12 0.00 0.20 -0.84 107.32 117.75 1vi8 s GLY 100 Ca -0.07 -0.53 0.01 0.00 0.00 0.00 0.00 44.72 44.13 1vi8 s GLY 100 CO -0.01 0.16 -0.15 0.14 0.00 0.00 0.00 173.10 173.23 1vi8 s VAL 101 N -0.04 1.82 -0.12 1.40 1.01 0.80 -1.38 120.40 123.89 1vi8 s VAL 101 Ca 0.15 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 1vi8 s VAL 101 Cb -0.13 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1vi8 s VAL 101 CO 0.03 0.38 -0.07 0.00 0.00 0.00 0.00 175.10 175.44 1vi8 s LYS 103 N -0.02 0.46 0.55 0.00 -2.85 -0.52 -1.96 119.74 115.39 1vi8 s LYS 103 Ca -0.00 -0.67 -0.16 0.00 -1.00 0.00 0.00 55.97 54.13 1vi8 s LYS 103 Cb -0.13 0.17 -0.06 0.00 -2.06 0.00 0.00 37.83 35.75 1vi8 s LYS 103 CO 0.03 -0.10 1.01 -1.25 0.10 0.00 0.00 175.35 175.15 1vi8 s PRO 104 N -2.03 3.71 0.00 1.78 0.04 -1.26 -1.50 135.00 135.74 1vi8 s PRO 104 Ca -0.10 1.04 0.00 0.00 0.04 0.00 0.00 61.00 61.97 1vi8 s PRO 104 Cb -0.05 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1vi8 s PRO 104 CO -0.02 -0.48 0.00 1.28 0.04 0.00 0.00 177.00 177.82 1vi8 n LEU 105 N -1.79 0.00 -3.64 -3.56 4.77 -0.22 -4.82 117.00 107.73 1vi8 n LEU 105 Ca 0.07 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.00 1vi8 n LEU 105 Cb 0.54 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 1vi8 n LEU 105 CO 0.47 0.00 0.63 -2.28 -1.33 0.00 0.00 177.39 174.89 1vi8 s HIS 106 N -1.63 -0.63 -0.35 -1.77 5.04 -1.08 -4.92 115.29 109.93 1vi8 s HIS 106 Ca 0.00 1.32 -0.00 0.00 -1.54 0.00 0.00 55.06 54.84 1vi8 s HIS 106 Cb 0.00 0.39 0.12 0.00 0.04 0.00 0.00 32.58 33.13 1vi8 s HIS 106 CO 0.00 -0.31 0.16 -0.51 -2.34 0.00 0.00 174.74 171.74 1vi8 s LEU 107 N 1.09 2.01 0.00 8.88 1.43 -1.26 -1.00 118.68 129.83 1vi8 s LEU 107 Ca -0.06 -2.00 0.06 0.00 -1.03 0.00 0.00 54.13 51.10 1vi8 s LEU 107 Cb -0.04 -0.79 0.06 0.00 0.03 0.00 0.00 46.19 45.45 1vi8 s LEU 107 CO -0.13 -0.35 0.48 0.61 0.23 0.00 0.00 176.35 177.18 1vi8 n GLY 108 N 4.35 2.10 0.14 -3.19 0.00 0.10 -5.01 105.19 103.67 1vi8 n GLY 108 Ca 0.03 -2.20 0.13 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 0.12 0.00 0.00 1.61 4.64 -2.00 -3.36 113.55 114.56 1vi8 h SER 109 Ca -0.18 -0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 60.93 1vi8 h SER 109 Cb 0.81 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.86 1vi8 h SER 109 CO 0.27 0.01 -1.72 0.54 -0.87 0.00 0.00 176.83 175.06 1vi8 n ARG 110 N -2.52 1.75 -3.98 4.77 1.74 -1.26 -4.81 116.66 112.35 1vi8 n ARG 110 Ca 0.05 0.02 -0.10 0.00 -0.77 0.00 0.00 57.85 57.04 1vi8 n ARG 110 Cb 0.47 -1.26 -0.03 0.00 -1.02 0.00 0.00 32.46 30.61 1vi8 n ARG 110 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1vi8 s HIS 111 N -2.25 0.46 0.05 -1.55 -3.43 -1.26 0.56 115.29 107.87 1vi8 s HIS 111 Ca -0.09 -0.85 -0.07 0.00 -0.80 0.00 0.00 55.06 53.25 1vi8 s HIS 111 Cb 0.03 0.28 -0.01 0.00 -1.43 0.00 0.00 32.58 31.45 1vi8 s HIS 111 CO 0.39 -1.16 0.13 -0.65 -2.00 0.00 0.00 174.74 171.45 1vi8 s GLN 112 N -3.44 0.67 -0.09 -0.38 -0.21 -0.72 -0.72 119.66 114.76 1vi8 s GLN 112 Ca 0.22 -0.81 0.02 0.00 0.02 0.00 0.00 55.36 54.81 1vi8 s GLN 112 Cb -0.02 0.26 0.01 0.00 1.00 0.00 0.00 33.01 34.27 1vi8 s GLN 112 CO 0.12 -0.18 -0.15 0.08 -2.12 0.00 0.00 175.29 173.05 1vi8 s VAL 113 N -2.98 1.38 -0.03 1.09 1.01 -0.17 -0.75 120.40 119.96 1vi8 s VAL 113 Ca -0.02 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.43 1vi8 s VAL 113 Cb 0.01 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 1vi8 s VAL 113 CO -0.06 0.41 -0.21 0.26 0.00 0.00 0.00 175.10 175.50 1vi8 s TRP 114 N 0.81 1.97 -0.18 5.22 0.52 0.13 -1.06 118.94 126.35 1vi8 s TRP 114 Ca -0.11 -0.43 -0.05 0.00 0.02 0.00 0.00 56.10 55.53 1vi8 s TRP 114 Cb -0.16 -1.28 -0.03 0.00 -1.15 0.00 0.00 33.47 30.86 1vi8 s TRP 114 CO 0.02 -0.08 -0.00 -1.14 0.02 0.00 0.00 176.95 175.76 1vi8 s GLN 115 N -0.38 3.68 -0.15 4.98 0.74 -0.56 -0.11 119.66 127.86 1vi8 s GLN 115 Ca 0.05 -0.50 0.01 0.00 0.05 0.00 0.00 55.36 54.97 1vi8 s GLN 115 Cb -0.10 -3.04 0.02 0.00 1.10 0.00 0.00 33.01 30.99 1vi8 s GLN 115 CO 0.00 0.12 -0.15 0.42 -0.55 0.00 0.00 175.29 175.13 1vi8 s ILE 116 N 0.71 1.65 -0.13 -2.34 1.09 -0.04 -1.44 121.20 120.69 1vi8 s ILE 116 Ca -0.00 -0.68 -0.04 0.00 -1.10 0.00 0.00 60.65 58.83 1vi8 s ILE 116 Cb -0.14 -1.53 -0.03 0.00 -1.06 0.00 0.00 42.46 39.69 1vi8 s ILE 116 CO 0.02 0.47 0.00 -1.61 -0.10 0.00 0.00 174.94 173.73 1vi8 s GLU 117 N 1.41 3.44 -0.18 2.79 2.02 -0.05 -1.18 118.70 126.95 1vi8 s GLU 117 Ca 0.04 -0.43 -0.02 0.00 0.02 0.00 0.00 54.97 54.59 1vi8 s GLU 117 Cb -0.13 -2.93 -0.01 0.00 0.10 0.00 0.00 34.13 31.16 1vi8 s GLU 117 CO -0.10 0.46 -0.10 0.42 0.02 0.00 0.00 175.26 175.95 1vi8 s ILE 118 N -0.20 3.04 0.18 -1.63 1.01 0.48 -0.14 121.20 123.93 1vi8 s ILE 118 Ca 0.05 -0.63 0.09 0.00 0.00 0.00 0.00 60.65 60.16 1vi8 s ILE 118 Cb -0.12 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 1vi8 s ILE 118 CO 0.02 0.48 -0.09 -0.36 0.00 0.00 0.00 174.94 175.00 1vi8 s PHE 119 N 0.96 2.66 0.82 3.97 0.40 -0.02 0.04 117.98 126.80 1vi8 s PHE 119 Ca -0.02 -0.21 -0.08 0.00 -0.60 0.00 0.00 56.93 56.02 1vi8 s PHE 119 Cb -0.15 -1.30 0.15 0.00 0.51 0.00 0.00 43.02 42.23 1vi8 s PHE 119 CO -0.01 0.51 1.13 0.16 0.70 0.00 0.00 175.22 177.71 1vi8 s ASP 120 N -2.80 3.92 0.39 1.36 3.84 -0.13 -0.41 116.67 122.84 1vi8 s ASP 120 Ca 0.25 0.03 0.24 0.00 -0.00 0.00 0.00 52.55 53.06 1vi8 s ASP 120 Cb -0.09 -0.31 1.29 0.00 -1.38 0.00 0.00 42.92 42.43 1vi8 s ASP 120 CO 0.15 -2.18 1.70 -0.33 -0.00 0.00 0.00 175.17 174.52 1vi8 h GLU 121 N -1.00 0.00 -0.15 2.11 5.08 -1.86 0.48 114.58 119.24 1vi8 h GLU 121 Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1vi8 h GLU 121 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1vi8 h GLU 121 CO 0.43 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.07 1vi8 n LYS 122 N -2.37 2.10 -0.86 2.33 4.76 -1.26 -4.93 118.16 117.93 1vi8 n LYS 122 Ca -0.02 -1.63 0.00 0.00 -2.87 0.00 0.00 58.31 53.79 1vi8 n LYS 122 Cb 0.12 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 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 1.31 0.55 3.84 0.72 0.00 0.16 -5.04 105.19 106.73 1vi8 n GLY 123 Ca 0.17 -0.19 -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 -0.46 3.88 0.14 1.61 0.52 -1.26 -4.83 118.95 118.56 1vi8 s ARG 124 Ca 0.00 0.37 -0.31 0.00 -0.52 0.00 0.00 55.73 55.27 1vi8 s ARG 124 Cb 0.00 -3.19 -0.10 0.00 0.52 0.00 0.00 34.95 32.18 1vi8 s ARG 124 CO 0.00 0.68 1.59 -1.17 0.02 0.00 0.00 175.30 176.42 1vi8 s LEU 125 N -1.19 4.37 -0.02 2.53 2.96 -1.26 -0.95 118.68 125.12 1vi8 s LEU 125 Ca 0.25 2.59 0.03 0.00 -0.22 0.00 0.00 54.13 56.78 1vi8 s LEU 125 Cb -0.16 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 1vi8 s LEU 125 CO 0.14 -0.84 0.03 0.00 -1.32 0.00 0.00 176.35 174.36 1vi8 s SER 128 N 0.76 3.05 0.06 0.00 0.15 -0.79 -0.38 113.70 116.55 1vi8 s SER 128 Ca -0.04 -0.57 -0.02 0.00 0.70 0.00 0.00 55.95 56.02 1vi8 s SER 128 Cb -0.05 -1.40 -0.03 0.00 -1.71 0.00 0.00 66.02 62.82 1vi8 s SER 128 CO -0.06 0.12 0.01 -0.94 1.20 0.00 0.00 173.24 173.58 1vi8 s SER 129 N 0.56 0.42 -0.01 5.45 1.04 -0.33 -0.63 113.70 120.20 1vi8 s SER 129 Ca -0.14 -0.97 0.04 0.00 0.48 0.00 0.00 55.95 55.36 1vi8 s SER 129 Cb -0.17 0.23 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 1vi8 s SER 129 CO 0.04 -0.63 -0.12 -0.13 0.98 0.00 0.00 173.24 173.38 1vi8 s ARG 130 N -3.92 0.99 -0.05 4.02 0.52 -0.39 -0.86 118.95 119.25 1vi8 s ARG 130 Ca 0.08 -0.43 0.02 0.00 -0.52 0.00 0.00 55.73 54.89 1vi8 s ARG 130 Cb 0.07 -0.95 0.01 0.00 0.52 0.00 0.00 34.95 34.60 1vi8 s ARG 130 CO -0.09 0.25 -0.10 -1.17 0.02 0.00 0.00 175.30 174.21 1vi8 s LEU 131 N -0.26 1.66 -0.19 2.53 2.96 0.84 -1.41 118.68 124.81 1vi8 s LEU 131 Ca 0.04 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 53.69 1vi8 s LEU 131 Cb -0.05 -0.69 -0.00 0.00 0.50 0.00 0.00 46.19 45.95 1vi8 s LEU 131 CO -0.00 0.04 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.07 1vi8 s THR 132 N 0.49 2.94 0.37 3.68 2.01 0.20 0.21 115.64 125.55 1vi8 s THR 132 Ca -0.09 -0.65 0.08 0.00 0.31 0.00 0.00 61.69 61.34 1vi8 s THR 132 Cb -0.13 -2.30 -0.05 0.00 0.01 0.00 0.00 72.50 70.03 1vi8 s THR 132 CO 0.02 0.47 0.14 0.42 -0.69 0.00 0.00 174.62 174.98 1vi8 s THR 133 N 1.24 2.61 -0.02 -0.82 -4.23 0.07 0.55 115.64 115.04 1vi8 s THR 133 Ca 0.03 -1.74 0.06 0.00 -1.18 0.00 0.00 61.69 58.85 1vi8 s THR 133 Cb -0.14 -2.95 -0.01 0.00 1.34 0.00 0.00 72.50 70.74 1vi8 s THR 133 CO -0.04 -0.10 -0.19 0.00 -0.54 0.00 0.00 174.62 173.74 1vi8 s ALA 134 N -2.52 1.64 -0.00 3.99 0.00 0.71 -1.76 121.76 123.81 1vi8 s ALA 134 Ca 0.39 -0.82 -0.18 0.00 0.00 0.00 0.00 51.96 51.34 1vi8 s ALA 134 Cb 0.01 -0.45 -0.06 0.00 0.00 0.00 0.00 23.12 22.62 1vi8 s ALA 134 CO 0.22 0.37 0.52 0.42 0.00 0.00 0.00 175.76 177.30 1vi8 s ILE 135 N -0.32 4.94 -0.21 0.00 1.01 0.19 -0.79 121.20 126.02 1vi8 s ILE 135 Ca 0.04 1.09 0.01 0.00 0.00 0.00 0.00 60.65 61.79 1vi8 s ILE 135 Cb -0.09 -3.85 0.03 0.00 0.01 0.00 0.00 42.46 38.56 1vi8 s ILE 135 CO 0.00 0.47 -0.14 -0.76 0.00 0.00 0.00 174.94 174.51 1vi8 s LEU 136 N -0.48 2.68 0.00 2.97 1.43 0.11 -4.85 118.68 120.54 1vi8 s LEU 136 Ca 0.28 -0.86 0.05 0.00 -1.03 0.00 0.00 54.13 52.57 1vi8 s LEU 136 Cb -0.18 -1.54 0.28 0.00 0.03 0.00 0.00 46.19 44.78 1vi8 s LEU 136 CO 0.16 -0.07 0.75 -0.62 0.23 0.00 0.00 176.35 176.80