#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5i1b s ARG 4 N 0.00 3.29 0.21 1.45 0.52 -1.26 -5.02 118.95 118.13 5i1b s ARG 4 Ca 0.00 -0.38 0.04 0.00 -0.52 0.00 0.00 55.73 54.87 5i1b s ARG 4 Cb 0.00 -2.92 -0.05 0.00 0.52 0.00 0.00 34.95 32.50 5i1b s ARG 4 CO 0.00 0.58 -0.04 -1.12 0.02 0.00 0.00 175.30 174.74 5i1b s SER 5 N -0.52 1.91 0.02 0.23 0.01 -1.26 -1.15 113.70 112.94 5i1b s SER 5 Ca 0.09 -1.15 0.01 0.00 1.31 0.00 0.00 55.95 56.21 5i1b s SER 5 Cb -0.12 -0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.08 5i1b s SER 5 CO 0.02 -0.44 -0.04 -0.76 0.41 0.00 0.00 173.24 172.43 5i1b s LEU 6 N -3.28 2.21 -0.03 2.44 1.43 -0.83 -4.84 118.68 115.78 5i1b s LEU 6 Ca 0.25 -0.45 -0.08 0.00 -1.03 0.00 0.00 54.13 52.82 5i1b s LEU 6 Cb 0.04 -0.01 -0.05 0.00 0.03 0.00 0.00 46.19 46.21 5i1b s LEU 6 CO 0.07 -0.23 0.24 0.20 0.23 0.00 0.00 176.35 176.86 5i1b s ASN 7 N -1.31 6.50 0.03 2.29 0.02 -1.23 -0.79 114.94 120.45 5i1b s ASN 7 Ca -0.12 0.57 -0.28 0.00 -1.02 0.00 0.00 52.86 52.01 5i1b s ASN 7 Cb -0.09 -2.10 0.09 0.00 0.02 0.00 0.00 41.25 39.18 5i1b s ASN 7 CO -0.00 0.31 0.93 0.00 0.02 0.00 0.00 177.10 178.36 5i1b s THR 9 N -3.11 2.72 0.01 0.00 -4.23 -0.42 -0.82 115.64 109.78 5i1b s THR 9 Ca 0.07 -2.03 0.08 0.00 -1.18 0.00 0.00 61.69 58.63 5i1b s THR 9 Cb -0.01 -2.37 -0.02 0.00 1.34 0.00 0.00 72.50 71.44 5i1b s THR 9 CO -0.06 -0.22 -0.25 -0.76 -0.54 0.00 0.00 174.62 172.79 5i1b s LEU 10 N -3.05 2.17 -0.03 4.79 1.43 -1.26 -1.21 118.68 121.52 5i1b s LEU 10 Ca 0.25 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 5i1b s LEU 10 Cb -0.07 -1.35 0.01 0.00 0.03 0.00 0.00 46.19 44.81 5i1b s LEU 10 CO 0.14 0.30 -0.07 -0.13 0.23 0.00 0.00 176.35 176.82 5i1b s ARG 11 N -0.90 0.84 1.06 1.70 0.52 -0.63 -4.20 118.95 117.35 5i1b s ARG 11 Ca 0.11 -0.21 -0.14 0.00 -0.52 0.00 0.00 55.73 54.97 5i1b s ARG 11 Cb -0.10 -0.81 0.22 0.00 0.52 0.00 0.00 34.95 34.79 5i1b s ARG 11 CO 0.01 0.03 1.10 0.16 0.02 0.00 0.00 175.30 176.62 5i1b s ASP 12 N 0.44 2.07 0.00 0.23 1.47 -0.77 -0.22 116.67 119.90 5i1b s ASP 12 Ca -0.06 1.00 0.16 0.00 1.18 0.00 0.00 52.55 54.83 5i1b s ASP 12 Cb -0.10 -1.54 0.78 0.00 -0.34 0.00 0.00 42.92 41.72 5i1b s ASP 12 CO 0.00 -3.45 1.49 -1.54 0.68 0.00 0.00 175.17 172.35 5i1b n SER 13 N -4.36 0.00 -1.36 2.11 3.41 0.29 -1.13 113.62 112.58 5i1b n SER 13 Ca 0.07 0.20 0.10 0.00 -0.26 0.00 0.00 58.87 58.98 5i1b n SER 13 Cb 0.58 -0.36 0.31 0.00 -0.26 0.00 0.00 64.21 64.49 5i1b n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 5i1b n GLN 14 N -1.36 3.00 -1.38 4.33 6.02 -1.26 -4.94 117.38 121.79 5i1b n GLN 14 Ca 0.06 -2.53 -0.13 0.00 -0.01 0.00 0.00 57.00 54.40 5i1b n GLN 14 Cb 0.15 -1.67 -0.05 0.00 1.02 0.00 0.00 30.24 29.68 5i1b n GLN 14 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 5i1b n GLN 15 N 1.28 -0.89 -2.73 -1.09 1.13 -0.28 -5.00 117.38 109.80 5i1b n GLN 15 Ca 0.23 0.95 -0.38 0.00 -1.94 0.00 0.00 57.00 55.86 5i1b n GLN 15 Cb 0.69 -4.99 -0.06 0.00 0.11 0.00 0.00 30.24 25.99 5i1b n GLN 15 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 5i1b s LYS 16 N -3.09 4.64 0.32 -1.09 1.02 -1.26 -4.67 119.74 115.61 5i1b s LYS 16 Ca 0.00 1.43 -0.02 0.00 0.02 0.00 0.00 55.97 57.39 5i1b s LYS 16 Cb 0.00 -2.95 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 5i1b s LYS 16 CO 0.00 0.31 0.55 -1.12 -0.92 0.00 0.00 175.35 174.18 5i1b s SER 17 N -1.43 6.37 -0.14 2.83 0.01 0.16 -1.85 113.70 119.65 5i1b s SER 17 Ca 0.48 0.60 -0.04 0.00 1.31 0.00 0.00 55.95 58.30 5i1b s SER 17 Cb -0.22 -2.10 -0.03 0.00 0.21 0.00 0.00 66.02 63.88 5i1b s SER 17 CO 0.28 -0.25 -0.01 -0.76 0.41 0.00 0.00 173.24 172.91 5i1b s LEU 18 N -3.91 3.44 0.07 2.44 1.02 -1.26 -0.49 118.68 119.99 5i1b s LEU 18 Ca 0.42 -0.02 0.01 0.00 0.02 0.00 0.00 54.13 54.56 5i1b s LEU 18 Cb -0.10 -1.83 -0.04 0.00 0.02 0.00 0.00 46.19 44.25 5i1b s LEU 18 CO 0.33 0.23 -0.06 0.68 0.02 0.00 0.00 176.35 177.55 5i1b s VAL 19 N 0.04 0.49 0.02 -1.59 -7.23 0.79 -1.27 120.40 111.64 5i1b s VAL 19 Ca 0.02 -1.64 -0.30 0.00 -1.81 0.00 0.00 61.98 58.24 5i1b s VAL 19 Cb -0.13 -1.30 -0.04 0.00 0.56 0.00 0.00 36.38 35.47 5i1b s VAL 19 CO 0.02 -0.78 1.09 -0.04 -0.31 0.00 0.00 175.10 175.09 5i1b s MET 20 N -3.20 4.48 -0.21 4.82 -1.94 -1.26 0.50 119.30 122.48 5i1b s MET 20 Ca 0.04 1.59 -0.11 0.00 -1.71 0.00 0.00 55.69 55.50 5i1b s MET 20 Cb 0.02 -3.42 -0.19 0.00 2.01 0.00 0.00 34.83 33.25 5i1b s MET 20 CO -0.05 -0.18 0.02 -1.13 -0.01 0.00 0.00 175.02 173.67 5i1b n SER 21 N 4.04 1.98 0.00 3.03 3.41 0.05 -4.82 113.62 121.32 5i1b n SER 21 Ca 0.08 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 5i1b n SER 21 Cb 0.49 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 5i1b n SER 21 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 5i1b n GLY 22 N 1.72 5.41 0.18 5.00 0.00 -1.20 -5.00 105.19 111.31 5i1b n GLY 22 Ca -0.41 -1.42 0.02 0.00 0.00 0.00 0.00 46.02 44.22 5i1b n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 5i1b h PRO 23 N 0.00 0.00 0.00 1.61 0.13 -2.02 -3.32 132.00 128.40 5i1b h PRO 23 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 5i1b h PRO 23 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 5i1b h PRO 23 CO 0.00 0.39 -0.28 0.66 -0.23 0.00 0.00 178.00 178.54 5i1b n TYR 24 N -4.05 0.00 -3.94 1.56 4.01 -1.26 -4.98 117.16 108.50 5i1b n TYR 24 Ca -0.02 -0.62 -0.10 0.00 -0.16 0.00 0.00 57.90 57.00 5i1b n TYR 24 Cb 0.42 -0.12 -0.12 0.00 -0.31 0.00 0.00 39.34 39.22 5i1b n TYR 24 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 5i1b s GLU 25 N -1.64 0.25 0.06 -0.72 2.12 -1.25 -3.47 118.70 114.06 5i1b s GLU 25 Ca 0.20 -0.44 0.07 0.00 0.36 0.00 0.00 54.97 55.16 5i1b s GLU 25 Cb 0.18 0.09 -0.03 0.00 0.26 0.00 0.00 34.13 34.63 5i1b s GLU 25 CO 0.00 -0.04 -0.18 -0.51 -0.54 0.00 0.00 175.26 173.99 5i1b s LEU 26 N -1.10 2.65 0.22 2.70 1.02 -1.26 -0.77 118.68 122.14 5i1b s LEU 26 Ca -0.12 -0.45 0.09 0.00 0.02 0.00 0.00 54.13 53.67 5i1b s LEU 26 Cb -0.07 -1.54 -0.05 0.00 0.02 0.00 0.00 46.19 44.55 5i1b s LEU 26 CO -0.01 0.24 -0.16 -0.54 0.02 0.00 0.00 176.35 175.90 5i1b s LYS 27 N -1.63 1.42 -0.11 1.70 -0.14 0.18 -0.89 119.74 120.27 5i1b s LYS 27 Ca 0.16 -1.62 0.03 0.00 -1.36 0.00 0.00 55.97 53.19 5i1b s LYS 27 Cb -0.11 -1.32 0.00 0.00 -1.68 0.00 0.00 37.83 34.72 5i1b s LYS 27 CO 0.07 0.24 -0.23 0.00 -0.76 0.00 0.00 175.35 174.66 5i1b s ALA 28 N -2.73 2.21 0.04 5.17 0.00 -0.88 -0.15 121.76 125.42 5i1b s ALA 28 Ca 0.24 -0.99 -0.14 0.00 0.00 0.00 0.00 51.96 51.06 5i1b s ALA 28 Cb -0.02 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.25 5i1b s ALA 28 CO 0.09 0.22 0.32 -0.48 0.00 0.00 0.00 175.76 175.91 5i1b s LEU 29 N 0.44 0.82 -0.36 0.00 2.34 0.36 -0.59 118.68 121.68 5i1b s LEU 29 Ca -0.16 -0.17 -0.29 0.00 0.06 0.00 0.00 54.13 53.57 5i1b s LEU 29 Cb -0.17 1.40 0.01 0.00 -0.56 0.00 0.00 46.19 46.87 5i1b s LEU 29 CO 0.07 -0.62 1.32 -1.00 -1.06 0.00 0.00 176.35 175.05 5i1b s HIS 30 N -2.55 2.61 0.10 3.48 3.76 -1.26 0.40 115.29 121.83 5i1b s HIS 30 Ca -0.05 0.79 0.06 0.00 -0.15 0.00 0.00 55.06 55.72 5i1b s HIS 30 Cb -0.01 -4.10 -0.03 0.00 1.11 0.00 0.00 32.58 29.55 5i1b s HIS 30 CO -0.03 -1.74 -0.16 -0.51 -0.85 0.00 0.00 174.74 171.45 5i1b s LEU 31 N 4.73 2.33 -0.01 0.89 1.43 -1.26 -4.96 118.68 121.83 5i1b s LEU 31 Ca 0.57 -0.71 -0.26 0.00 -1.03 0.00 0.00 54.13 52.70 5i1b s LEU 31 Cb -0.14 -0.65 0.06 0.00 0.03 0.00 0.00 46.19 45.48 5i1b s LEU 31 CO 0.27 -0.05 0.57 -1.58 0.23 0.00 0.00 176.35 175.79 5i1b s GLN 32 N -2.12 1.00 0.86 1.70 0.74 -1.26 -4.89 119.66 115.68 5i1b s GLN 32 Ca 0.05 0.02 0.00 0.00 0.05 0.00 0.00 55.36 55.48 5i1b s GLN 32 Cb -0.08 0.46 0.00 0.00 1.10 0.00 0.00 33.01 34.49 5i1b s GLN 32 CO 0.03 -0.33 0.00 0.41 -0.55 0.00 0.00 175.29 174.86 5i1b n GLY 33 N 0.79 -1.80 0.33 2.59 0.00 -1.26 -4.10 105.19 101.73 5i1b n GLY 33 Ca -0.19 -1.65 0.20 0.00 0.00 0.00 0.00 46.02 44.37 5i1b n GLY 33 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 5i1b h GLN 34 N 0.00 0.00 0.00 1.61 3.07 -2.04 -0.20 115.11 117.54 5i1b h GLN 34 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 5i1b h GLN 34 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 5i1b h GLN 34 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 178.83 175.45 5i1b n ASP 35 N -3.26 0.33 0.00 0.06 4.64 -1.26 -1.81 116.55 115.25 5i1b n ASP 35 Ca -0.02 0.61 0.13 0.00 -1.38 0.00 0.00 54.79 54.14 5i1b n ASP 35 Cb 0.17 -0.67 0.70 0.00 -1.04 0.00 0.00 41.12 40.28 5i1b n ASP 35 CO 0.00 0.00 0.00 0.23 -0.82 0.00 0.00 177.20 176.61 5i1b n MET 36 N -1.90 0.43 0.24 -0.67 2.81 -0.09 -2.63 117.12 115.31 5i1b n MET 36 Ca 0.01 0.03 0.15 0.00 -1.81 0.00 0.00 57.70 56.08 5i1b n MET 36 Cb 0.11 -1.50 0.56 0.00 -0.71 0.00 0.00 33.22 31.68 5i1b n MET 36 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 5i1b h GLU 37 N 0.00 0.00 0.00 0.03 4.11 -1.58 -2.89 114.58 114.26 5i1b h GLU 37 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 5i1b h GLU 37 Cb 0.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 5i1b h GLU 37 CO 0.00 0.00 -0.29 1.96 0.07 0.00 0.00 179.01 180.75 5i1b h GLN 38 N 0.00 0.00 -6.82 1.06 4.20 -1.75 -3.45 115.11 108.35 5i1b h GLN 38 Ca 0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 5i1b h GLN 38 Cb 0.59 0.00 0.10 0.00 0.30 0.00 0.00 27.48 28.47 5i1b h GLN 38 CO 0.00 0.29 0.69 0.00 -0.67 0.00 0.00 178.83 179.14 5i1b n GLN 39 N -4.17 2.44 -2.29 1.46 10.64 -1.09 -4.59 117.38 119.78 5i1b n GLN 39 Ca -0.02 0.86 -0.40 0.00 -1.83 0.00 0.00 57.00 55.61 5i1b n GLN 39 Cb 0.34 -2.55 -0.03 0.00 -0.86 0.00 0.00 30.24 27.14 5i1b n GLN 39 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 5i1b s VAL 40 N -0.81 3.10 -0.22 -0.39 0.11 -0.39 -4.99 120.40 116.80 5i1b s VAL 40 Ca 0.57 1.10 -0.07 0.00 -2.93 0.00 0.00 61.98 60.66 5i1b s VAL 40 Cb -0.53 -3.70 -0.03 0.00 -1.53 0.00 0.00 36.38 30.60 5i1b s VAL 40 CO 0.59 0.25 0.05 -0.69 -3.33 0.00 0.00 175.10 171.98 5i1b s VAL 41 N -1.17 4.32 0.17 2.04 1.01 -1.26 -4.67 120.40 120.84 5i1b s VAL 41 Ca 0.47 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 5i1b s VAL 41 Cb -0.36 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 5i1b s VAL 41 CO 0.46 0.39 0.37 -0.36 0.00 0.00 0.00 175.10 175.96 5i1b s PHE 42 N 1.16 3.48 -0.42 5.22 0.40 0.00 0.11 117.98 127.93 5i1b s PHE 42 Ca 0.04 0.42 0.00 0.00 -0.60 0.00 0.00 56.93 56.79 5i1b s PHE 42 Cb -0.14 -1.90 0.12 0.00 0.51 0.00 0.00 43.02 41.60 5i1b s PHE 42 CO 0.03 0.42 0.19 0.45 0.70 0.00 0.00 175.22 177.00 5i1b s SER 43 N -2.83 4.98 -0.30 1.36 0.15 -0.25 -1.24 113.70 115.57 5i1b s SER 43 Ca 0.39 -2.29 -0.23 0.00 0.70 0.00 0.00 55.95 54.52 5i1b s SER 43 Cb -0.12 -1.74 -0.00 0.00 -1.71 0.00 0.00 66.02 62.45 5i1b s SER 43 CO 0.27 -0.43 0.77 -0.32 1.20 0.00 0.00 173.24 174.74 5i1b s MET 44 N 0.74 3.97 -0.07 5.44 1.75 0.03 -2.00 119.30 129.16 5i1b s MET 44 Ca 0.11 0.58 -0.01 0.00 -1.25 0.00 0.00 55.69 55.12 5i1b s MET 44 Cb -0.22 -3.72 -0.03 0.00 2.84 0.00 0.00 34.83 33.70 5i1b s MET 44 CO -0.05 -0.66 0.00 -1.12 -0.65 0.00 0.00 175.02 172.55 5i1b s SER 45 N 1.61 5.22 -0.53 1.11 0.01 -0.30 -1.96 113.70 118.86 5i1b s SER 45 Ca 0.32 0.12 -0.23 0.00 1.31 0.00 0.00 55.95 57.47 5i1b s SER 45 Cb -0.14 -1.45 0.04 0.00 0.21 0.00 0.00 66.02 64.68 5i1b s SER 45 CO 0.12 0.36 0.86 -0.36 0.41 0.00 0.00 173.24 174.63 5i1b s PHE 46 N -0.91 2.87 0.57 2.43 0.08 -0.30 -1.38 117.98 121.33 5i1b s PHE 46 Ca 0.14 -0.12 0.07 0.00 0.12 0.00 0.00 56.93 57.15 5i1b s PHE 46 Cb -0.11 -3.92 0.07 0.00 -0.57 0.00 0.00 43.02 38.48 5i1b s PHE 46 CO 0.03 -1.25 0.58 0.14 -0.10 0.00 0.00 175.22 174.62 5i1b s VAL 47 N 3.60 1.75 0.40 -0.44 -7.23 -1.15 -4.48 120.40 112.85 5i1b s VAL 47 Ca 0.27 -1.30 -0.24 0.00 -1.81 0.00 0.00 61.98 58.91 5i1b s VAL 47 Cb -0.14 -2.05 -0.09 0.00 0.56 0.00 0.00 36.38 34.66 5i1b s VAL 47 CO 0.18 0.00 1.03 -1.10 -0.31 0.00 0.00 175.10 174.90 5i1b s GLN 48 N -4.47 4.18 0.00 4.82 -0.21 0.63 -4.73 119.66 119.88 5i1b s GLN 48 Ca 0.45 1.44 0.00 0.00 0.02 0.00 0.00 55.36 57.27 5i1b s GLN 48 Cb -0.04 -2.49 0.00 0.00 1.00 0.00 0.00 33.01 31.49 5i1b s GLN 48 CO 0.28 -0.12 0.00 0.41 -2.12 0.00 0.00 175.29 173.74 5i1b n GLY 49 N 0.21 0.68 3.76 3.09 0.00 -1.26 -4.80 105.19 106.87 5i1b n GLY 49 Ca 0.05 -1.23 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 5i1b n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 5i1b s GLU 50 N -1.99 4.51 0.15 1.61 0.41 -1.26 -4.89 118.70 117.24 5i1b s GLU 50 Ca 0.00 1.96 0.06 0.00 -0.41 0.00 0.00 54.97 56.58 5i1b s GLU 50 Cb 0.00 -3.16 -0.04 0.00 -1.78 0.00 0.00 34.13 29.15 5i1b s GLU 50 CO 0.00 0.01 -0.13 -2.00 -0.49 0.00 0.00 175.26 172.64 5i1b s GLU 51 N -1.27 1.11 0.35 1.61 2.12 -1.26 -4.42 118.70 116.94 5i1b s GLU 51 Ca 0.48 -1.38 -0.01 0.00 0.36 0.00 0.00 54.97 54.43 5i1b s GLU 51 Cb -0.35 -0.88 0.00 0.00 0.26 0.00 0.00 34.13 33.16 5i1b s GLU 51 CO 0.44 0.15 0.47 -1.13 -0.54 0.00 0.00 175.26 174.65 5i1b n SER 52 N 0.13 -1.30 0.00 -1.70 3.41 0.02 -4.96 113.62 109.22 5i1b n SER 52 Ca -0.12 -2.93 -0.02 0.00 -0.26 0.00 0.00 58.87 55.53 5i1b n SER 52 Cb 0.59 2.47 0.23 0.00 -0.26 0.00 0.00 64.21 67.24 5i1b n SER 52 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 5i1b h ASN 53 N 1.99 0.50 -0.01 4.04 2.35 -2.01 -3.17 115.58 119.26 5i1b h ASN 53 Ca -0.27 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 5i1b h ASN 53 Cb 1.19 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.43 5i1b h ASN 53 CO 0.37 0.67 -0.27 -0.90 -1.65 0.00 0.00 177.43 175.65 5i1b n ASP 54 N -4.18 1.32 -3.93 5.81 5.75 -1.26 -4.93 116.55 115.13 5i1b n ASP 54 Ca 0.00 -1.16 -0.29 0.00 -0.01 0.00 0.00 54.79 53.33 5i1b n ASP 54 Cb 0.34 0.50 -0.16 0.00 -1.03 0.00 0.00 41.12 40.77 5i1b n ASP 54 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 5i1b s LYS 55 N -1.59 1.65 -0.12 0.11 2.20 -1.20 -2.21 119.74 118.59 5i1b s LYS 55 Ca 0.10 -0.68 0.01 0.00 -0.36 0.00 0.00 55.97 55.04 5i1b s LYS 55 Cb 0.10 -2.21 0.02 0.00 -1.51 0.00 0.00 37.83 34.22 5i1b s LYS 55 CO 0.32 -0.45 -0.15 0.42 -0.36 0.00 0.00 175.35 175.13 5i1b s ILE 56 N 1.53 1.51 0.13 5.43 -1.09 -0.26 -0.79 121.20 127.66 5i1b s ILE 56 Ca -0.01 -0.62 -0.31 0.00 -2.23 0.00 0.00 60.65 57.48 5i1b s ILE 56 Cb -0.16 -1.40 -0.08 0.00 -1.58 0.00 0.00 42.46 39.24 5i1b s ILE 56 CO -0.08 0.45 1.36 -2.16 -1.23 0.00 0.00 174.94 173.28 5i1b s PRO 57 N 1.21 4.34 0.16 2.79 0.05 -1.26 -0.09 135.00 142.21 5i1b s PRO 57 Ca -0.02 2.06 -0.02 0.00 0.05 0.00 0.00 61.00 63.07 5i1b s PRO 57 Cb -0.14 -3.24 -0.04 0.00 0.05 0.00 0.00 34.50 31.14 5i1b s PRO 57 CO -0.05 -0.39 0.12 0.14 0.05 0.00 0.00 177.00 176.87 5i1b s VAL 58 N 0.86 0.06 -0.00 -0.36 -7.23 0.58 -2.92 120.40 111.39 5i1b s VAL 58 Ca 0.62 -1.88 0.06 0.00 -1.81 0.00 0.00 61.98 58.98 5i1b s VAL 58 Cb -0.36 -2.21 -0.02 0.00 0.56 0.00 0.00 36.38 34.35 5i1b s VAL 58 CO 0.32 -0.25 -0.19 0.00 -0.31 0.00 0.00 175.10 174.66 5i1b s ALA 59 N -4.08 1.62 -0.31 1.32 0.00 -0.48 -0.62 121.76 119.20 5i1b s ALA 59 Ca 0.29 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.36 5i1b s ALA 59 Cb 0.07 -0.39 0.05 0.00 0.00 0.00 0.00 23.12 22.85 5i1b s ALA 59 CO 0.06 0.39 0.01 -0.51 0.00 0.00 0.00 175.76 175.71 5i1b s LEU 60 N -0.58 3.98 0.40 0.00 1.43 -1.26 -1.15 118.68 121.49 5i1b s LEU 60 Ca 0.07 -1.30 0.08 0.00 -1.03 0.00 0.00 54.13 51.95 5i1b s LEU 60 Cb -0.08 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 5i1b s LEU 60 CO -0.00 -0.28 0.22 -0.83 0.23 0.00 0.00 176.35 175.69 5i1b s GLY 61 N 1.28 2.20 -0.05 -3.19 0.00 -0.85 -0.78 107.32 105.93 5i1b s GLY 61 Ca -0.04 -1.99 -0.20 0.00 0.00 0.00 0.00 44.72 42.49 5i1b s GLY 61 CO -0.01 -1.82 0.56 1.08 0.00 0.00 0.00 173.10 172.90 5i1b s LEU 62 N -3.94 4.36 -0.11 0.66 1.02 0.01 -1.08 118.68 119.59 5i1b s LEU 62 Ca 0.42 1.03 -0.36 0.00 0.02 0.00 0.00 54.13 55.24 5i1b s LEU 62 Cb 0.01 -2.84 -0.13 0.00 0.02 0.00 0.00 46.19 43.24 5i1b s LEU 62 CO 0.24 0.05 1.79 1.17 0.02 0.00 0.00 176.35 179.63 5i1b n LYS 63 N 3.12 1.85 -1.66 1.70 4.81 0.12 -1.40 118.16 126.71 5i1b n LYS 63 Ca -0.07 0.68 -0.14 0.00 -0.87 0.00 0.00 58.31 57.91 5i1b n LYS 63 Cb 0.51 -2.46 -0.04 0.00 0.02 0.00 0.00 35.03 33.06 5i1b n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 5i1b n GLU 64 N 5.83 -1.01 -4.05 1.64 4.71 -1.26 -4.98 120.64 121.51 5i1b n GLU 64 Ca 0.23 0.90 -0.15 0.00 -0.01 0.00 0.00 57.16 58.13 5i1b n GLU 64 Cb 0.24 -5.05 -0.14 0.00 -1.01 0.00 0.00 31.44 25.48 5i1b n GLU 64 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 5i1b s LYS 65 N -3.63 0.29 -1.39 3.49 1.02 -0.49 -5.04 119.74 114.00 5i1b s LYS 65 Ca 0.00 -0.11 -0.09 0.00 0.02 0.00 0.00 55.97 55.79 5i1b s LYS 65 Cb 0.00 -0.30 -0.11 0.00 -0.52 0.00 0.00 37.83 36.90 5i1b s LYS 65 CO 0.00 0.06 3.02 0.27 -0.92 0.00 0.00 175.35 177.77 5i1b n ASN 66 N 3.10 8.17 -3.93 2.83 6.94 -1.26 -4.17 115.26 126.94 5i1b n ASN 66 Ca -0.14 -2.55 -0.26 0.00 -0.02 0.00 0.00 54.58 51.62 5i1b n ASN 66 Cb 0.58 -1.52 -0.17 0.00 -2.36 0.00 0.00 39.78 36.31 5i1b n ASN 66 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 5i1b s LEU 67 N 0.14 1.27 0.11 -4.53 1.43 -1.26 -1.36 118.68 114.49 5i1b s LEU 67 Ca 0.68 -0.28 0.07 0.00 -1.03 0.00 0.00 54.13 53.58 5i1b s LEU 67 Cb 0.19 -0.79 -0.04 0.00 0.03 0.00 0.00 46.19 45.59 5i1b s LEU 67 CO -0.05 -0.08 -0.17 -0.31 0.23 0.00 0.00 176.35 175.96 5i1b s TYR 68 N 1.41 1.59 0.12 0.29 2.02 0.13 -0.81 117.35 122.10 5i1b s TYR 68 Ca -0.01 -0.47 -0.30 0.00 -0.37 0.00 0.00 57.07 55.92 5i1b s TYR 68 Cb -0.13 -0.85 -0.06 0.00 -0.40 0.00 0.00 41.96 40.52 5i1b s TYR 68 CO -0.05 0.19 1.11 -0.51 -1.57 0.00 0.00 175.55 174.72 5i1b s LEU 69 N -2.17 4.44 0.02 -1.29 1.02 0.04 -0.81 118.68 119.93 5i1b s LEU 69 Ca 0.07 2.00 0.00 0.00 0.02 0.00 0.00 54.13 56.22 5i1b s LEU 69 Cb -0.08 -3.59 -0.02 0.00 0.02 0.00 0.00 46.19 42.52 5i1b s LEU 69 CO 0.04 -0.29 -0.03 -0.55 0.02 0.00 0.00 176.35 175.53 5i1b s SER 70 N 0.39 0.30 -0.23 2.29 0.15 0.30 -4.51 113.70 112.39 5i1b s SER 70 Ca 0.52 -0.45 -0.01 0.00 0.70 0.00 0.00 55.95 56.72 5i1b s SER 70 Cb -0.28 0.08 0.03 0.00 -1.71 0.00 0.00 66.02 64.14 5i1b s SER 70 CO 0.32 -0.25 -0.10 0.00 1.20 0.00 0.00 173.24 174.41 5i1b s VAL 72 N 1.29 0.59 0.03 0.00 -7.23 -0.29 -4.67 120.40 110.13 5i1b s VAL 72 Ca 0.00 -1.92 -0.30 0.00 -1.81 0.00 0.00 61.98 57.95 5i1b s VAL 72 Cb -0.16 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 5i1b s VAL 72 CO -0.06 -0.84 1.02 -0.76 -0.31 0.00 0.00 175.10 174.14 5i1b s LEU 73 N -3.04 4.39 -0.03 1.32 1.43 -1.26 -0.95 118.68 120.55 5i1b s LEU 73 Ca 0.13 1.75 -0.00 0.00 -1.03 0.00 0.00 54.13 54.98 5i1b s LEU 73 Cb 0.06 -3.58 0.03 0.00 0.03 0.00 0.00 46.19 42.73 5i1b s LEU 73 CO -0.04 -0.26 0.01 -0.75 0.23 0.00 0.00 176.35 175.54 5i1b s LYS 74 N 0.82 0.20 -1.64 1.70 2.47 -0.50 -4.78 119.74 118.02 5i1b s LYS 74 Ca 0.52 0.14 -0.13 0.00 -1.56 0.00 0.00 55.97 54.94 5i1b s LYS 74 Cb -0.23 -0.46 0.11 0.00 -1.46 0.00 0.00 37.83 35.79 5i1b s LYS 74 CO 0.29 -0.17 0.58 -0.25 0.16 0.00 0.00 175.35 175.96 5i1b n ASP 75 N 4.33 -1.91 -0.20 1.43 8.00 -1.26 -0.45 116.55 126.49 5i1b n ASP 75 Ca -0.23 -1.07 -0.03 0.00 0.71 0.00 0.00 54.79 54.17 5i1b n ASP 75 Cb 0.50 -2.55 -0.01 0.00 -0.02 0.00 0.00 41.12 39.04 5i1b n ASP 75 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 5i1b n ASP 76 N -2.74 -4.29 -3.91 -2.24 9.92 -1.26 -5.00 116.55 107.03 5i1b n ASP 76 Ca -0.06 0.06 -0.12 0.00 -0.53 0.00 0.00 54.79 54.15 5i1b n ASP 76 Cb 0.56 -2.02 -0.13 0.00 -0.64 0.00 0.00 41.12 38.88 5i1b n ASP 76 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 5i1b s LYS 77 N -1.42 0.13 0.16 -1.24 2.20 0.41 -5.09 119.74 114.89 5i1b s LYS 77 Ca 0.00 -0.17 -0.32 0.00 -0.36 0.00 0.00 55.97 55.11 5i1b s LYS 77 Cb 0.00 -0.03 -0.12 0.00 -1.51 0.00 0.00 37.83 36.17 5i1b s LYS 77 CO 0.00 0.00 1.74 -2.30 -0.36 0.00 0.00 175.35 174.43 5i1b n PRO 78 N 2.71 2.63 -4.21 4.03 -0.02 -1.26 -1.41 135.00 137.47 5i1b n PRO 78 Ca -0.15 0.95 -0.16 0.00 -2.02 0.00 0.00 63.50 62.12 5i1b n PRO 78 Cb 0.59 -2.80 -0.14 0.00 -0.02 0.00 0.00 33.50 31.13 5i1b n PRO 78 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 5i1b s THR 79 N 1.74 0.62 0.02 3.45 2.01 -0.12 -4.81 115.64 118.55 5i1b s THR 79 Ca 0.79 -0.60 -0.16 0.00 0.31 0.00 0.00 61.69 62.03 5i1b s THR 79 Cb -0.54 -0.57 -0.06 0.00 0.01 0.00 0.00 72.50 71.34 5i1b s THR 79 CO 0.36 -0.01 0.47 -0.22 -0.69 0.00 0.00 174.62 174.52 5i1b s LEU 80 N -0.67 4.48 0.20 4.42 2.96 -1.26 -1.14 118.68 127.67 5i1b s LEU 80 Ca -0.01 1.05 -0.10 0.00 -0.22 0.00 0.00 54.13 54.85 5i1b s LEU 80 Cb -0.05 -2.70 -0.01 0.00 0.50 0.00 0.00 46.19 43.93 5i1b s LEU 80 CO 0.00 0.29 0.35 0.00 -1.32 0.00 0.00 176.35 175.67 5i1b s GLN 81 N -0.97 1.31 -0.22 1.98 -2.07 0.17 -4.89 119.66 114.96 5i1b s GLN 81 Ca 0.26 -1.22 -0.10 0.00 -1.82 0.00 0.00 55.36 52.48 5i1b s GLN 81 Cb -0.18 0.41 -0.05 0.00 -1.09 0.00 0.00 33.01 32.11 5i1b s GLN 81 CO 0.15 -0.51 0.14 -0.51 -1.32 0.00 0.00 175.29 173.24 5i1b s LEU 82 N -2.99 4.09 -0.00 2.60 1.43 -1.23 -0.54 118.68 122.04 5i1b s LEU 82 Ca 0.20 0.13 0.07 0.00 -1.03 0.00 0.00 54.13 53.51 5i1b s LEU 82 Cb 0.02 -2.08 -0.02 0.00 0.03 0.00 0.00 46.19 44.14 5i1b s LEU 82 CO 0.04 0.10 -0.23 -0.70 0.23 0.00 0.00 176.35 175.79 5i1b s GLU 83 N 0.81 1.77 0.23 1.70 2.12 0.01 -4.84 118.70 120.51 5i1b s GLU 83 Ca 0.07 -0.87 -0.15 0.00 0.36 0.00 0.00 54.97 54.38 5i1b s GLU 83 Cb -0.13 -1.77 -0.08 0.00 0.26 0.00 0.00 34.13 32.42 5i1b s GLU 83 CO 0.02 0.48 0.65 -1.54 -0.54 0.00 0.00 175.26 174.33 5i1b s SER 84 N -0.72 6.84 0.14 -1.70 1.04 -1.26 -0.69 113.70 117.35 5i1b s SER 84 Ca 0.09 1.21 0.04 0.00 0.48 0.00 0.00 55.95 57.76 5i1b s SER 84 Cb -0.09 -2.34 -0.04 0.00 0.10 0.00 0.00 66.02 63.65 5i1b s SER 84 CO -0.00 -0.04 -0.08 0.68 0.98 0.00 0.00 173.24 174.78 5i1b s VAL 85 N -1.70 1.02 0.05 5.02 -7.23 -0.47 -4.96 120.40 112.13 5i1b s VAL 85 Ca 0.46 -2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 58.30 5i1b s VAL 85 Cb -0.13 -1.84 -0.09 0.00 0.56 0.00 0.00 36.38 34.88 5i1b s VAL 85 CO 0.19 -0.75 1.88 -0.62 -0.31 0.00 0.00 175.10 175.50 5i1b s ASP 86 N -3.14 6.48 0.65 4.85 -1.08 -1.26 -4.79 116.67 118.37 5i1b s ASP 86 Ca 0.16 2.63 0.43 0.00 -0.52 0.00 0.00 52.55 55.25 5i1b s ASP 86 Cb 0.04 -2.54 2.26 0.00 -1.46 0.00 0.00 42.92 41.21 5i1b s ASP 86 CO -0.00 -1.02 2.31 1.55 0.52 0.00 0.00 175.17 178.53 5i1b h PRO 87 N 9.90 0.00 0.00 4.34 0.13 -1.92 -2.69 132.00 141.76 5i1b h PRO 87 Ca -0.47 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.56 5i1b h PRO 87 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 5i1b h PRO 87 CO 0.94 0.00 -1.43 0.36 -0.23 0.00 0.00 178.00 177.64 5i1b n LYS 88 N -3.10 0.63 0.00 0.86 2.85 -1.26 -4.13 118.16 114.01 5i1b n LYS 88 Ca -0.02 0.10 0.12 0.00 -1.05 0.00 0.00 58.31 57.46 5i1b n LYS 88 Cb 0.11 -1.75 0.22 0.00 -0.65 0.00 0.00 35.03 32.96 5i1b n LYS 88 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 5i1b n ASN 89 N -2.70 0.82 -4.27 -5.58 3.02 -1.02 -4.93 115.26 100.60 5i1b n ASN 89 Ca -0.07 -0.62 -0.22 0.00 -0.03 0.00 0.00 54.58 53.63 5i1b n ASN 89 Cb 0.71 0.33 -0.12 0.00 -0.61 0.00 0.00 39.78 40.10 5i1b n ASN 89 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 5i1b s TYR 90 N -2.82 1.68 0.77 3.10 2.02 -1.18 -4.26 117.35 116.65 5i1b s TYR 90 Ca 0.15 -0.44 -0.12 0.00 -0.37 0.00 0.00 57.07 56.29 5i1b s TYR 90 Cb 0.18 -0.91 0.05 0.00 -0.40 0.00 0.00 41.96 40.88 5i1b s TYR 90 CO 0.66 0.20 1.14 -1.25 -1.57 0.00 0.00 175.55 174.73 5i1b s PRO 91 N -2.05 2.31 0.28 -1.71 0.04 -1.26 -4.89 135.00 127.72 5i1b s PRO 91 Ca 0.06 0.30 0.03 0.00 0.04 0.00 0.00 61.00 61.44 5i1b s PRO 91 Cb -0.09 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 5i1b s PRO 91 CO 0.04 -1.39 0.04 0.15 0.04 0.00 0.00 177.00 175.88 5i1b s LYS 92 N -5.45 1.51 -0.00 4.56 1.02 -1.26 -4.94 119.74 115.19 5i1b s LYS 92 Ca 0.60 -1.81 -0.04 0.00 0.02 0.00 0.00 55.97 54.74 5i1b s LYS 92 Cb -0.11 -0.71 -0.28 0.00 -0.52 0.00 0.00 37.83 36.21 5i1b s LYS 92 CO 0.51 -0.16 0.84 -0.22 -0.92 0.00 0.00 175.35 175.40 5i1b h LYS 93 N 2.28 0.27 -3.61 1.68 3.11 -1.95 -3.39 116.57 114.96 5i1b h LYS 93 Ca -0.40 -0.46 -0.73 0.00 -2.81 0.00 0.00 60.65 56.26 5i1b h LYS 93 Cb 1.24 0.17 -0.33 0.00 -1.00 0.00 0.00 32.23 32.31 5i1b h LYS 93 CO 0.66 1.14 -0.19 0.21 -2.81 0.00 0.00 179.45 178.47 5i1b s LYS 94 N -2.61 2.97 0.13 1.90 2.47 -1.26 -0.27 119.74 123.07 5i1b s LYS 94 Ca -0.10 -2.62 -0.17 0.00 -1.56 0.00 0.00 55.97 51.52 5i1b s LYS 94 Cb 0.07 -3.97 -0.07 0.00 -1.46 0.00 0.00 37.83 32.40 5i1b s LYS 94 CO 0.86 -1.22 0.60 1.41 0.16 0.00 0.00 175.35 177.15 5i1b s MET 95 N -0.19 4.13 0.65 4.03 1.75 -1.26 -5.05 119.30 123.35 5i1b s MET 95 Ca 0.19 0.67 -0.18 0.00 -1.25 0.00 0.00 55.69 55.12 5i1b s MET 95 Cb -0.16 -3.05 -0.02 0.00 2.84 0.00 0.00 34.83 34.45 5i1b s MET 95 CO -0.06 0.53 1.14 0.39 -0.65 0.00 0.00 175.02 176.37 5i1b n GLU 96 N 1.16 0.95 -0.07 4.11 4.71 -1.26 -4.89 120.64 125.35 5i1b n GLU 96 Ca -0.07 0.38 0.14 0.00 -0.01 0.00 0.00 57.16 57.60 5i1b n GLU 96 Cb 0.51 -2.37 0.54 0.00 -1.01 0.00 0.00 31.44 29.11 5i1b n GLU 96 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 5i1b h LYS 97 N 0.39 0.31 0.00 3.49 3.64 -1.97 -2.50 116.57 119.93 5i1b h LYS 97 Ca -0.50 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.85 5i1b h LYS 97 Cb 1.35 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.10 5i1b h LYS 97 CO 0.51 0.21 -0.05 0.07 -2.27 0.00 0.00 179.45 177.92 5i1b h ARG 98 N 0.32 0.00 0.00 1.90 0.11 -1.91 -2.59 114.38 112.21 5i1b h ARG 98 Ca 0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.36 5i1b h ARG 98 Cb 0.66 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.74 5i1b h ARG 98 CO -0.07 0.05 -0.57 1.19 0.10 0.00 0.00 179.97 180.68 5i1b n PHE 99 N -3.71 0.04 -3.38 4.08 3.01 -0.94 -1.47 117.46 115.09 5i1b n PHE 99 Ca -0.02 0.01 -0.38 0.00 1.01 0.00 0.00 57.45 58.07 5i1b n PHE 99 Cb 0.15 -0.26 -0.06 0.00 -0.01 0.00 0.00 39.48 39.30 5i1b n PHE 99 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 5i1b s VAL 100 N -3.02 5.11 0.08 -4.37 1.01 -0.98 -4.37 120.40 113.87 5i1b s VAL 100 Ca 0.10 0.92 0.09 0.00 0.00 0.00 0.00 61.98 63.09 5i1b s VAL 100 Cb 0.17 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 5i1b s VAL 100 CO 0.72 0.43 -0.24 -0.36 0.00 0.00 0.00 175.10 175.64 5i1b s PHE 101 N -0.06 2.12 -0.29 5.22 0.40 0.20 -1.04 117.98 124.54 5i1b s PHE 101 Ca 0.25 -0.40 -0.16 0.00 -0.60 0.00 0.00 56.93 56.02 5i1b s PHE 101 Cb -0.16 -1.21 -0.03 0.00 0.51 0.00 0.00 43.02 42.14 5i1b s PHE 101 CO 0.12 0.21 0.42 -0.80 0.70 0.00 0.00 175.22 175.86 5i1b s ASN 102 N -1.63 6.29 -0.41 1.36 0.01 0.21 -0.30 114.94 120.46 5i1b s ASN 102 Ca 0.11 0.20 -0.22 0.00 -0.71 0.00 0.00 52.86 52.24 5i1b s ASN 102 Cb -0.10 -2.23 0.02 0.00 0.41 0.00 0.00 41.25 39.35 5i1b s ASN 102 CO 0.04 -0.28 0.71 -0.75 -1.51 0.00 0.00 177.10 175.31 5i1b s LYS 103 N 2.16 3.49 -0.19 -0.60 2.20 0.88 -1.54 119.74 126.14 5i1b s LYS 103 Ca 0.16 -0.08 -0.03 0.00 -0.36 0.00 0.00 55.97 55.67 5i1b s LYS 103 Cb -0.16 -3.89 -0.01 0.00 -1.51 0.00 0.00 37.83 32.26 5i1b s LYS 103 CO 0.11 -0.95 -0.07 0.42 -0.36 0.00 0.00 175.35 174.49 5i1b s ILE 104 N 2.99 3.31 -0.17 5.43 1.01 0.00 -1.10 121.20 132.68 5i1b s ILE 104 Ca 0.27 -0.53 -0.14 0.00 0.00 0.00 0.00 60.65 60.24 5i1b s ILE 104 Cb -0.13 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 5i1b s ILE 104 CO 0.19 0.46 0.31 -1.61 0.00 0.00 0.00 174.94 174.29 5i1b s GLU 105 N 1.03 4.25 -0.36 2.79 2.02 -0.94 -0.56 118.70 126.93 5i1b s GLU 105 Ca 0.00 0.11 0.02 0.00 0.02 0.00 0.00 54.97 55.13 5i1b s GLU 105 Cb -0.15 -3.44 0.15 0.00 0.10 0.00 0.00 34.13 30.79 5i1b s GLU 105 CO -0.00 0.19 0.36 0.42 0.02 0.00 0.00 175.26 176.25 5i1b s ILE 106 N 0.60 -0.34 0.00 -1.63 -1.09 -0.54 -4.95 121.20 113.26 5i1b s ILE 106 Ca 0.17 -0.91 0.00 0.00 -2.23 0.00 0.00 60.65 57.68 5i1b s ILE 106 Cb -0.13 -0.74 0.00 0.00 -1.58 0.00 0.00 42.46 40.01 5i1b s ILE 106 CO 0.05 -0.57 0.00 0.59 -1.23 0.00 0.00 174.94 173.78 5i1b n ASN 107 N 4.44 0.00 -0.59 3.58 4.13 -1.26 -2.90 115.26 122.65 5i1b n ASN 107 Ca 0.09 0.00 0.12 0.00 1.68 0.00 0.00 54.58 56.46 5i1b n ASN 107 Cb 0.45 0.00 0.39 0.00 -1.54 0.00 0.00 39.78 39.09 5i1b n ASN 107 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 5i1b n ASN 108 N 2.06 1.79 -4.92 6.41 4.13 -1.26 -4.89 115.26 118.58 5i1b n ASN 108 Ca 0.00 -1.68 -0.26 0.00 1.68 0.00 0.00 54.58 54.32 5i1b n ASN 108 Cb 0.00 -0.08 -0.01 0.00 -1.54 0.00 0.00 39.78 38.14 5i1b n ASN 108 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 5i1b s LYS 109 N -1.83 3.53 0.06 3.52 3.01 -1.14 -4.76 119.74 122.12 5i1b s LYS 109 Ca 0.34 -0.12 0.06 0.00 -1.01 0.00 0.00 55.97 55.24 5i1b s LYS 109 Cb 0.19 -2.58 -0.03 0.00 -1.01 0.00 0.00 37.83 34.40 5i1b s LYS 109 CO 0.29 0.06 -0.16 -0.51 0.51 0.00 0.00 175.35 175.54 5i1b s LEU 110 N -4.29 2.23 0.04 3.17 1.02 -0.17 -1.46 118.68 119.21 5i1b s LEU 110 Ca 0.43 -0.55 0.04 0.00 0.02 0.00 0.00 54.13 54.06 5i1b s LEU 110 Cb -0.10 -0.66 -0.02 0.00 0.02 0.00 0.00 46.19 45.43 5i1b s LEU 110 CO 0.37 0.01 -0.12 -1.61 0.02 0.00 0.00 176.35 175.03 5i1b s GLU 111 N -1.46 0.77 -0.27 1.70 2.02 0.27 -0.92 118.70 120.82 5i1b s GLU 111 Ca 0.02 -0.71 0.02 0.00 0.02 0.00 0.00 54.97 54.32 5i1b s GLU 111 Cb -0.09 -0.73 0.07 0.00 0.10 0.00 0.00 34.13 33.48 5i1b s GLU 111 CO 0.02 0.17 -0.04 -0.06 0.02 0.00 0.00 175.26 175.38 5i1b s PHE 112 N -0.92 2.86 -0.15 1.61 0.40 -1.26 -0.82 117.98 119.70 5i1b s PHE 112 Ca -0.01 -2.16 -0.07 0.00 -0.60 0.00 0.00 56.93 54.09 5i1b s PHE 112 Cb -0.08 -1.95 -0.04 0.00 0.51 0.00 0.00 43.02 41.46 5i1b s PHE 112 CO 0.01 -0.85 0.09 -2.00 0.70 0.00 0.00 175.22 173.18 5i1b s GLU 113 N 1.23 3.72 0.23 0.44 2.12 -0.59 -0.49 118.70 125.37 5i1b s GLU 113 Ca -0.02 -0.26 -0.30 0.00 0.36 0.00 0.00 54.97 54.75 5i1b s GLU 113 Cb -0.19 -3.20 -0.10 0.00 0.26 0.00 0.00 34.13 30.90 5i1b s GLU 113 CO -0.08 0.50 1.45 0.45 -0.54 0.00 0.00 175.26 177.04 5i1b s SER 114 N -0.25 6.66 0.25 -1.70 0.15 0.16 0.67 113.70 119.65 5i1b s SER 114 Ca 0.09 2.64 0.06 0.00 0.70 0.00 0.00 55.95 59.44 5i1b s SER 114 Cb -0.12 -2.62 0.31 0.00 -1.71 0.00 0.00 66.02 61.88 5i1b s SER 114 CO 0.01 -0.71 1.59 0.00 1.20 0.00 0.00 173.24 175.34 5i1b h ALA 115 N 5.31 0.92 0.05 5.45 0.00 -1.35 -3.25 119.26 126.38 5i1b h ALA 115 Ca -0.45 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 53.93 5i1b h ALA 115 Cb 1.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 5i1b h ALA 115 CO 0.80 0.71 -0.02 0.37 0.00 0.00 0.00 179.25 181.10 5i1b h GLN 116 N 0.15 -0.06 -4.24 0.00 5.75 -1.76 -3.40 115.11 111.55 5i1b h GLN 116 Ca -0.00 0.00 -0.70 0.00 -0.15 0.00 0.00 58.65 57.80 5i1b h GLN 116 Cb 1.05 0.01 -0.34 0.00 1.07 0.00 0.00 27.48 29.27 5i1b h GLN 116 CO 0.09 0.47 -0.48 -0.06 -2.65 0.00 0.00 178.83 176.20 5i1b s PHE 117 N -3.83 3.53 0.19 3.99 0.40 -1.23 -5.08 117.98 115.95 5i1b s PHE 117 Ca -0.16 -2.42 -0.33 0.00 -0.60 0.00 0.00 56.93 53.43 5i1b s PHE 117 Cb 0.01 -3.26 -0.14 0.00 0.51 0.00 0.00 43.02 40.14 5i1b s PHE 117 CO 0.63 -0.94 1.49 -2.30 0.70 0.00 0.00 175.22 174.79 5i1b n PRO 118 N 4.36 2.02 -1.23 0.24 -0.02 -1.25 -1.54 135.00 137.58 5i1b n PRO 118 Ca -0.00 0.73 -0.08 0.00 -2.02 0.00 0.00 63.50 62.12 5i1b n PRO 118 Cb 0.40 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 5i1b n PRO 118 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 5i1b n ASN 119 N 2.85 -4.27 -4.50 2.55 4.13 -1.26 -5.00 115.26 109.76 5i1b n ASN 119 Ca 0.15 0.20 -0.35 0.00 1.68 0.00 0.00 54.58 56.26 5i1b n ASN 119 Cb 0.29 -2.47 -0.12 0.00 -1.54 0.00 0.00 39.78 35.94 5i1b n ASN 119 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 5i1b s TRP 120 N -2.19 3.09 0.17 3.10 0.52 -0.59 -4.44 118.94 118.59 5i1b s TRP 120 Ca 0.00 -0.29 0.11 0.00 0.02 0.00 0.00 56.10 55.94 5i1b s TRP 120 Cb 0.00 -2.07 -0.04 0.00 -1.15 0.00 0.00 33.47 30.21 5i1b s TRP 120 CO 0.00 -0.11 -0.25 0.71 0.02 0.00 0.00 176.95 177.32 5i1b s TYR 121 N 0.77 2.27 0.12 -1.98 1.51 -0.64 0.40 117.35 119.80 5i1b s TYR 121 Ca 0.01 -0.37 -0.31 0.00 -1.01 0.00 0.00 57.07 55.39 5i1b s TYR 121 Cb -0.14 -1.17 -0.08 0.00 -0.11 0.00 0.00 41.96 40.46 5i1b s TYR 121 CO 0.02 0.43 1.39 0.42 -1.11 0.00 0.00 175.55 176.70 5i1b s ILE 122 N -1.44 3.28 0.09 2.71 1.01 0.36 -1.13 121.20 126.07 5i1b s ILE 122 Ca 0.18 0.92 0.00 0.00 0.00 0.00 0.00 60.65 61.75 5i1b s ILE 122 Cb -0.09 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 5i1b s ILE 122 CO 0.08 0.07 -0.03 -0.44 0.00 0.00 0.00 174.94 174.62 5i1b s SER 123 N 1.07 0.78 0.21 3.58 0.01 0.74 -4.54 113.70 115.54 5i1b s SER 123 Ca 0.64 -1.04 0.07 0.00 1.31 0.00 0.00 55.95 56.94 5i1b s SER 123 Cb -0.37 0.16 -0.05 0.00 0.21 0.00 0.00 66.02 65.97 5i1b s SER 123 CO 0.31 -0.56 -0.13 0.42 0.41 0.00 0.00 173.24 173.69 5i1b s THR 124 N -3.80 1.65 0.43 1.44 -4.23 -0.09 -1.84 115.64 109.21 5i1b s THR 124 Ca 0.12 -2.18 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 5i1b s THR 124 Cb 0.07 -2.08 -0.01 0.00 1.34 0.00 0.00 72.50 71.82 5i1b s THR 124 CO -0.06 -0.57 0.65 -0.44 -0.54 0.00 0.00 174.62 173.66 5i1b s SER 125 N -3.32 5.93 0.19 3.99 0.01 -1.26 -1.10 113.70 118.15 5i1b s SER 125 Ca 0.23 0.33 -0.01 0.00 1.31 0.00 0.00 55.95 57.81 5i1b s SER 125 Cb 0.00 -1.65 0.10 0.00 0.21 0.00 0.00 66.02 64.69 5i1b s SER 125 CO 0.07 -0.62 1.47 1.56 0.41 0.00 0.00 173.24 176.13 5i1b h GLN 126 N 0.46 0.42 -7.29 12.44 1.08 -1.97 -3.45 115.11 116.80 5i1b h GLN 126 Ca -0.47 -0.31 -0.52 0.00 -1.45 0.00 0.00 58.65 55.90 5i1b h GLN 126 Cb 1.24 0.05 0.16 0.00 -0.05 0.00 0.00 27.48 28.89 5i1b h GLN 126 CO 0.58 0.93 0.28 0.00 -0.95 0.00 0.00 178.83 179.67 5i1b s ALA 127 N -3.75 1.92 0.21 3.87 0.00 -1.26 -5.02 121.76 117.73 5i1b s ALA 127 Ca -0.06 0.41 -0.23 0.00 0.00 0.00 0.00 51.96 52.09 5i1b s ALA 127 Cb 0.11 -3.35 -0.08 0.00 0.00 0.00 0.00 23.12 19.79 5i1b s ALA 127 CO 0.83 -2.19 0.77 -2.00 0.00 0.00 0.00 175.76 173.17 5i1b s GLU 128 N -4.78 4.43 -1.80 0.00 2.56 -1.26 -4.37 118.70 113.47 5i1b s GLU 128 Ca 0.64 1.05 0.00 0.00 0.00 0.00 0.00 54.97 56.66 5i1b s GLU 128 Cb -0.20 -3.04 0.00 0.00 2.00 0.00 0.00 34.13 32.89 5i1b s GLU 128 CO 0.57 0.46 0.00 -1.71 -0.56 0.00 0.00 175.26 174.02 5i1b n ASN 129 N 1.09 -5.84 -4.96 -1.70 2.85 0.24 -5.02 115.26 101.92 5i1b n ASN 129 Ca -0.03 0.03 -0.23 0.00 -0.11 0.00 0.00 54.58 54.24 5i1b n ASN 129 Cb 0.50 -4.88 -0.02 0.00 1.24 0.00 0.00 39.78 36.62 5i1b n ASN 129 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 5i1b s MET 130 N -4.92 3.44 0.58 1.20 -1.94 -1.24 -4.83 119.30 111.58 5i1b s MET 130 Ca 0.00 -0.71 -0.19 0.00 -1.71 0.00 0.00 55.69 53.08 5i1b s MET 130 Cb 0.00 -2.91 -0.04 0.00 2.01 0.00 0.00 34.83 33.89 5i1b s MET 130 CO 0.00 0.46 1.19 -2.14 -0.01 0.00 0.00 175.02 174.52 5i1b s PRO 131 N -3.75 3.07 0.21 2.03 0.02 -1.26 -2.07 135.00 133.25 5i1b s PRO 131 Ca 0.34 1.77 -0.28 0.00 0.02 0.00 0.00 61.00 62.86 5i1b s PRO 131 Cb -0.10 -1.95 -0.09 0.00 0.02 0.00 0.00 34.50 32.39 5i1b s PRO 131 CO 0.29 -1.12 0.87 0.08 -0.33 0.00 0.00 177.00 176.79 5i1b s VAL 132 N -1.64 4.20 0.31 3.83 1.01 -0.06 -4.61 120.40 123.44 5i1b s VAL 132 Ca 0.76 1.92 -0.01 0.00 0.00 0.00 0.00 61.98 64.65 5i1b s VAL 132 Cb -0.29 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 31.84 5i1b s VAL 132 CO 0.31 0.51 0.39 0.72 0.00 0.00 0.00 175.10 177.03 5i1b s PHE 133 N -1.17 1.15 -0.27 5.22 -0.12 -0.76 -4.80 117.98 117.23 5i1b s PHE 133 Ca 0.39 -1.32 -0.14 0.00 -0.05 0.00 0.00 56.93 55.80 5i1b s PHE 133 Cb -0.25 -0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 41.85 5i1b s PHE 133 CO 0.29 -1.00 0.35 -0.51 -0.05 0.00 0.00 175.22 174.31 5i1b s LEU 134 N -3.23 4.04 -0.14 -1.99 1.43 -1.26 -0.18 118.68 117.35 5i1b s LEU 134 Ca 0.33 0.27 -0.00 0.00 -1.03 0.00 0.00 54.13 53.69 5i1b s LEU 134 Cb 0.01 -2.39 -0.01 0.00 0.03 0.00 0.00 46.19 43.82 5i1b s LEU 134 CO 0.19 -0.16 -0.13 -0.83 0.23 0.00 0.00 176.35 175.66 5i1b s GLY 135 N 1.61 1.54 0.00 -3.19 0.00 -0.29 -4.88 107.32 102.12 5i1b s GLY 135 Ca 0.14 -0.91 0.14 0.00 0.00 0.00 0.00 44.72 44.09 5i1b s GLY 135 CO 0.10 -0.14 1.41 0.61 0.00 0.00 0.00 173.10 175.07 5i1b n GLY 136 N 3.62 -0.23 2.92 0.20 0.00 -1.26 -1.63 105.19 108.81 5i1b n GLY 136 Ca -0.18 -0.24 -0.15 0.00 0.00 0.00 0.00 46.02 45.44 5i1b n GLY 136 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 5i1b s THR 137 N -1.83 0.29 -0.09 2.61 -1.32 -1.26 -4.82 115.64 109.23 5i1b s THR 137 Ca 0.22 -0.14 -0.00 0.00 -1.21 0.00 0.00 61.69 60.56 5i1b s THR 137 Cb 0.11 -0.26 -0.03 0.00 -1.51 0.00 0.00 72.50 70.81 5i1b s THR 137 CO 0.17 0.09 -0.05 -0.54 -2.21 0.00 0.00 174.62 172.08 5i1b s LYS 138 N 0.04 2.96 0.00 7.08 1.02 -1.26 -4.83 119.74 124.75 5i1b s LYS 138 Ca 0.00 -0.52 0.00 0.00 0.02 0.00 0.00 55.97 55.47 5i1b s LYS 138 Cb -0.03 -2.68 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 5i1b s LYS 138 CO -0.00 0.59 0.00 0.41 -0.92 0.00 0.00 175.35 175.43 5i1b n GLY 139 N 2.45 1.87 3.41 -3.33 0.00 -1.26 -5.03 105.19 103.30 5i1b n GLY 139 Ca -0.18 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 5i1b n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5i1b n GLY 140 N 0.00 -0.28 4.02 -0.02 0.00 -1.26 -4.49 105.19 103.15 5i1b n GLY 140 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.12 5i1b n GLY 140 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 5i1b n GLN 141 N 6.90 0.00 -2.37 1.61 7.27 -1.26 -4.97 117.38 124.56 5i1b n GLN 141 Ca 0.37 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 57.08 5i1b n GLN 141 Cb 0.41 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.04 5i1b n GLN 141 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 5i1b s ASP 142 N 0.00 6.19 -0.12 1.69 1.01 -1.26 -4.45 116.67 119.72 5i1b s ASP 142 Ca 0.00 2.15 -0.15 0.00 0.71 0.00 0.00 52.55 55.25 5i1b s ASP 142 Cb 0.00 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 5i1b s ASP 142 CO 0.00 -0.90 0.38 -0.63 0.21 0.00 0.00 175.17 174.23 5i1b s ILE 143 N -1.71 5.23 0.00 0.77 1.01 -0.26 -4.55 121.20 121.69 5i1b s ILE 143 Ca 0.66 0.74 0.00 0.00 0.00 0.00 0.00 60.65 62.04 5i1b s ILE 143 Cb -0.24 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.52 5i1b s ILE 143 CO 0.28 0.39 0.63 0.35 0.00 0.00 0.00 174.94 176.59 5i1b n THR 144 N 3.37 0.38 -4.92 2.92 -2.24 -1.26 -0.91 114.28 111.61 5i1b n THR 144 Ca -0.10 -0.56 -0.30 0.00 -2.27 0.00 0.00 64.05 60.81 5i1b n THR 144 Cb 0.52 0.94 -0.15 0.00 -2.10 0.00 0.00 70.33 69.54 5i1b n THR 144 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 5i1b s ASP 145 N -0.38 3.20 0.15 3.42 -4.77 -1.26 -4.44 116.67 112.59 5i1b s ASP 145 Ca 0.00 -0.57 0.00 0.00 -3.30 0.00 0.00 52.55 48.68 5i1b s ASP 145 Cb 0.00 -0.31 -0.04 0.00 -1.09 0.00 0.00 42.92 41.47 5i1b s ASP 145 CO 0.00 0.26 0.03 -0.36 0.70 0.00 0.00 175.17 175.81 5i1b s PHE 146 N -0.80 1.01 0.21 2.11 0.40 -0.10 -0.55 117.98 120.26 5i1b s PHE 146 Ca 0.12 -1.14 0.10 0.00 -0.60 0.00 0.00 56.93 55.41 5i1b s PHE 146 Cb -0.10 -0.57 -0.04 0.00 0.51 0.00 0.00 43.02 42.81 5i1b s PHE 146 CO 0.02 -0.39 -0.14 0.95 0.70 0.00 0.00 175.22 176.36 5i1b s THR 147 N -3.88 2.88 0.05 0.64 -4.23 0.70 -1.00 115.64 110.79 5i1b s THR 147 Ca 0.24 -1.90 0.09 0.00 -1.18 0.00 0.00 61.69 58.94 5i1b s THR 147 Cb 0.07 -2.44 -0.03 0.00 1.34 0.00 0.00 72.50 71.44 5i1b s THR 147 CO 0.03 -0.18 -0.24 -0.32 -0.54 0.00 0.00 174.62 173.36 5i1b s MET 148 N -2.97 1.86 -0.08 3.99 1.75 -1.26 -1.61 119.30 120.99 5i1b s MET 148 Ca 0.25 -1.08 0.02 0.00 -1.25 0.00 0.00 55.69 53.63 5i1b s MET 148 Cb -0.08 -2.04 0.01 0.00 2.84 0.00 0.00 34.83 35.57 5i1b s MET 148 CO 0.14 0.52 -0.14 -0.65 -0.65 0.00 0.00 175.02 174.23 5i1b s GLN 149 N -1.33 1.98 0.21 4.11 1.11 -0.35 -4.98 119.66 120.42 5i1b s GLN 149 Ca 0.13 -0.50 -0.26 0.00 0.01 0.00 0.00 55.36 54.74 5i1b s GLN 149 Cb -0.10 -1.61 -0.08 0.00 -1.01 0.00 0.00 33.01 30.20 5i1b s GLN 149 CO 0.03 0.04 0.83 -0.06 0.01 0.00 0.00 175.29 176.14 5i1b s PHE 150 N 0.67 3.86 -0.01 0.91 0.40 -1.26 -1.30 117.98 121.25 5i1b s PHE 150 Ca -0.14 1.68 0.00 0.00 -0.60 0.00 0.00 56.93 57.88 5i1b s PHE 150 Cb -0.16 -2.82 -0.01 0.00 0.51 0.00 0.00 43.02 40.55 5i1b s PHE 150 CO 0.04 0.44 -0.00 1.33 0.70 0.00 0.00 175.22 177.73 5i1b n VAL 151 N 1.31 0.04 0.00 -0.44 0.24 -1.08 -4.92 118.33 113.49 5i1b n VAL 151 Ca -0.03 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 5i1b n VAL 151 Cb 0.49 -0.79 0.00 0.00 -1.47 0.00 0.00 33.84 32.07 5i1b n VAL 151 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 5i1b n SER 152 N -2.23 0.00 0.00 -1.34 3.41 -1.24 -5.05 113.62 107.17 5i1b n SER 152 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 5i1b n SER 152 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 5i1b n SER 152 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68