#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 7i1b n PRO 2 N 0.00 0.62 -4.31 0.00 -0.05 -1.26 -4.72 135.00 125.27 7i1b n PRO 2 Ca 0.00 0.00 -0.19 0.00 -0.05 0.00 0.00 63.50 63.26 7i1b n PRO 2 Cb 0.00 -1.19 -0.08 0.00 -0.05 0.00 0.00 33.50 32.17 7i1b n PRO 2 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 7i1b s VAL 3 N 0.58 0.11 -0.25 0.52 1.01 -1.26 -4.77 120.40 116.34 7i1b s VAL 3 Ca 0.00 -2.00 0.02 0.00 0.00 0.00 0.00 61.98 60.00 7i1b s VAL 3 Cb 0.00 -2.48 0.06 0.00 0.00 0.00 0.00 36.38 33.96 7i1b s VAL 3 CO 0.00 0.00 -0.08 -0.13 0.00 0.00 0.00 175.10 174.89 7i1b s ARG 4 N -3.60 1.94 0.39 2.72 1.81 -1.26 -5.05 118.95 115.90 7i1b s ARG 4 Ca 0.38 -1.17 -0.01 0.00 -1.72 0.00 0.00 55.73 53.21 7i1b s ARG 4 Cb 0.03 -2.74 -0.03 0.00 -0.45 0.00 0.00 34.95 31.76 7i1b s ARG 4 CO 0.23 -0.58 0.62 -1.12 -0.68 0.00 0.00 175.30 173.77 7i1b s SER 5 N 1.25 6.27 -0.13 0.23 0.01 -1.26 -2.24 113.70 117.82 7i1b s SER 5 Ca -0.07 0.57 -0.05 0.00 1.31 0.00 0.00 55.95 57.71 7i1b s SER 5 Cb -0.19 -2.07 0.06 0.00 0.21 0.00 0.00 66.02 64.03 7i1b s SER 5 CO -0.06 -0.39 0.27 -0.22 0.41 0.00 0.00 173.24 173.25 7i1b s LEU 6 N -4.44 -0.26 0.30 2.44 1.98 0.47 -4.98 118.68 114.19 7i1b s LEU 6 Ca 0.42 0.60 -0.29 0.00 -2.89 0.00 0.00 54.13 51.98 7i1b s LEU 6 Cb -0.10 0.73 -0.09 0.00 0.66 0.00 0.00 46.19 47.38 7i1b s LEU 6 CO 0.38 -0.23 1.08 0.20 -1.89 0.00 0.00 176.35 175.90 7i1b s ASN 7 N 2.34 7.19 -0.19 3.68 0.02 -1.26 -0.27 114.94 126.45 7i1b s ASN 7 Ca 0.00 2.22 -0.34 0.00 -1.02 0.00 0.00 52.86 53.72 7i1b s ASN 7 Cb -0.12 -2.62 0.14 0.00 0.02 0.00 0.00 41.25 38.67 7i1b s ASN 7 CO -0.09 -0.19 1.20 0.00 0.02 0.00 0.00 177.10 178.04 7i1b s THR 9 N -2.31 1.71 0.05 0.00 -4.23 -1.01 -1.80 115.64 108.06 7i1b s THR 9 Ca 0.09 -1.51 0.05 0.00 -1.18 0.00 0.00 61.69 59.14 7i1b s THR 9 Cb -0.01 -2.22 -0.02 0.00 1.34 0.00 0.00 72.50 71.59 7i1b s THR 9 CO -0.05 0.00 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.13 7i1b s LEU 10 N -4.25 2.22 -0.11 4.79 1.43 -1.26 -2.50 118.68 119.00 7i1b s LEU 10 Ca 0.34 -0.53 -0.07 0.00 -1.03 0.00 0.00 54.13 52.84 7i1b s LEU 10 Cb -0.02 -0.59 0.04 0.00 0.03 0.00 0.00 46.19 45.66 7i1b s LEU 10 CO 0.21 -0.00 0.27 -0.60 0.23 0.00 0.00 176.35 176.45 7i1b s ARG 11 N -1.39 0.26 0.63 1.70 3.52 -0.60 -4.09 118.95 118.99 7i1b s ARG 11 Ca 0.00 0.50 -0.13 0.00 -0.13 0.00 0.00 55.73 55.97 7i1b s ARG 11 Cb -0.09 -0.01 -0.02 0.00 -1.56 0.00 0.00 34.95 33.27 7i1b s ARG 11 CO 0.02 -0.12 1.05 0.16 -0.81 0.00 0.00 175.30 175.60 7i1b s ASP 12 N 0.87 5.66 0.00 -2.12 -4.77 -0.39 -0.49 116.67 115.43 7i1b s ASP 12 Ca -0.06 1.71 0.05 0.00 -3.30 0.00 0.00 52.55 50.94 7i1b s ASP 12 Cb -0.07 -2.51 0.28 0.00 -1.09 0.00 0.00 42.92 39.52 7i1b s ASP 12 CO -0.06 -1.25 0.77 -1.54 0.70 0.00 0.00 175.17 173.79 7i1b n SER 13 N -2.50 0.00 -0.83 2.11 3.41 -1.26 -0.82 113.62 113.72 7i1b n SER 13 Ca 0.08 -0.12 0.12 0.00 -0.26 0.00 0.00 58.87 58.69 7i1b n SER 13 Cb 0.53 -0.02 0.25 0.00 -0.26 0.00 0.00 64.21 64.71 7i1b n SER 13 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 7i1b n GLN 14 N -1.02 2.14 -1.98 4.33 -0.06 -1.26 -4.95 117.38 114.58 7i1b n GLN 14 Ca 0.03 -1.67 -0.01 0.00 -2.00 0.00 0.00 57.00 53.36 7i1b n GLN 14 Cb 0.02 -1.47 0.00 0.00 -4.06 0.00 0.00 30.24 24.73 7i1b n GLN 14 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 7i1b n GLN 15 N 0.99 -0.26 -4.04 3.69 7.27 -0.01 -5.08 117.38 119.93 7i1b n GLN 15 Ca 0.16 0.04 -0.08 0.00 0.07 0.00 0.00 57.00 57.19 7i1b n GLN 15 Cb 0.52 -2.50 -0.10 0.00 2.41 0.00 0.00 30.24 30.57 7i1b n GLN 15 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 7i1b s LYS 16 N -3.90 0.49 0.55 3.69 1.02 -1.24 -4.76 119.74 115.58 7i1b s LYS 16 Ca 0.00 -0.96 0.04 0.00 0.02 0.00 0.00 55.97 55.07 7i1b s LYS 16 Cb -0.00 0.15 0.04 0.00 -0.52 0.00 0.00 37.83 37.49 7i1b s LYS 16 CO 0.03 -0.08 0.31 0.43 -0.92 0.00 0.00 175.35 175.12 7i1b n SER 17 N 0.76 2.94 -4.69 2.83 7.64 -0.98 -1.26 113.62 120.87 7i1b n SER 17 Ca -0.18 -3.00 -0.30 0.00 1.01 0.00 0.00 58.87 56.39 7i1b n SER 17 Cb 0.58 0.06 -0.08 0.00 -1.01 0.00 0.00 64.21 63.76 7i1b n SER 17 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 7i1b s LEU 18 N 0.00 3.46 -0.03 -3.43 1.43 -1.26 -2.18 118.68 116.67 7i1b s LEU 18 Ca 0.24 -0.19 -0.04 0.00 -1.03 0.00 0.00 54.13 53.11 7i1b s LEU 18 Cb -0.02 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 44.02 7i1b s LEU 18 CO 0.15 0.17 0.10 0.68 0.23 0.00 0.00 176.35 177.68 7i1b s VAL 19 N -1.33 0.03 -0.75 -1.59 -7.23 0.14 -2.69 120.40 106.98 7i1b s VAL 19 Ca 0.26 -0.23 -0.26 0.00 -1.81 0.00 0.00 61.98 59.95 7i1b s VAL 19 Cb -0.12 -0.22 -0.03 0.00 0.56 0.00 0.00 36.38 36.57 7i1b s VAL 19 CO 0.18 -0.12 1.88 -0.04 -0.31 0.00 0.00 175.10 176.68 7i1b s MET 20 N -0.38 2.63 0.33 4.82 1.00 -1.26 0.65 119.30 127.10 7i1b s MET 20 Ca -0.04 0.17 0.16 0.00 0.00 0.00 0.00 55.69 55.97 7i1b s MET 20 Cb -0.03 -4.69 0.49 0.00 0.00 0.00 0.00 34.83 30.59 7i1b s MET 20 CO 0.00 -2.99 1.64 1.03 0.00 0.00 0.00 175.02 174.71 7i1b h SER 21 N 13.16 0.00 -3.20 3.03 0.87 -1.61 -3.47 113.55 122.33 7i1b h SER 21 Ca -0.10 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.30 7i1b h SER 21 Cb 1.09 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.01 7i1b h SER 21 CO 1.22 0.46 -0.03 0.61 -0.53 0.00 0.00 176.83 178.57 7i1b n GLY 22 N 0.46 2.03 0.40 5.77 0.00 -0.24 -4.97 105.19 108.65 7i1b n GLY 22 Ca 0.00 -1.46 -0.15 0.00 0.00 0.00 0.00 46.02 44.41 7i1b n GLY 22 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 7i1b h PRO 23 N 0.00 -0.81 -0.64 1.61 0.11 -2.02 -3.07 132.00 127.18 7i1b h PRO 23 Ca -0.22 0.06 -0.35 0.00 0.11 0.00 0.00 66.00 65.59 7i1b h PRO 23 Cb 0.93 0.18 -0.20 0.00 0.11 0.00 0.00 31.00 32.02 7i1b h PRO 23 CO 0.30 -0.54 0.21 0.66 -0.21 0.00 0.00 178.00 178.41 7i1b n TYR 24 N -4.85 1.99 -4.04 0.65 4.01 -1.26 -4.96 117.16 108.70 7i1b n TYR 24 Ca -0.10 -1.81 -0.13 0.00 -0.16 0.00 0.00 57.90 55.69 7i1b n TYR 24 Cb 0.37 -0.71 -0.13 0.00 -0.31 0.00 0.00 39.34 38.56 7i1b n TYR 24 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 7i1b s GLU 25 N -3.32 0.33 0.29 -0.72 8.01 -1.16 -4.29 118.70 117.83 7i1b s GLU 25 Ca 0.51 -0.33 0.06 0.00 0.01 0.00 0.00 54.97 55.22 7i1b s GLU 25 Cb 0.44 -0.22 -0.06 0.00 -4.31 0.00 0.00 34.13 29.99 7i1b s GLU 25 CO 0.04 0.05 -0.04 -0.51 0.01 0.00 0.00 175.26 174.81 7i1b s LEU 26 N -0.60 2.45 -0.03 1.80 1.02 -1.26 -1.08 118.68 120.98 7i1b s LEU 26 Ca -0.04 -1.22 0.01 0.00 0.02 0.00 0.00 54.13 52.90 7i1b s LEU 26 Cb -0.04 -0.61 0.03 0.00 0.02 0.00 0.00 46.19 45.59 7i1b s LEU 26 CO -0.00 -0.38 -0.01 -0.75 0.02 0.00 0.00 176.35 175.23 7i1b s LYS 27 N -3.75 0.40 -0.29 1.70 2.47 0.21 -2.46 119.74 118.01 7i1b s LYS 27 Ca 0.30 0.04 -0.11 0.00 -1.56 0.00 0.00 55.97 54.65 7i1b s LYS 27 Cb 0.05 -0.54 -0.04 0.00 -1.46 0.00 0.00 37.83 35.84 7i1b s LYS 27 CO 0.12 -0.12 0.18 0.00 0.16 0.00 0.00 175.35 175.70 7i1b s ALA 28 N 0.97 3.46 0.34 3.13 0.00 -1.11 -0.69 121.76 127.87 7i1b s ALA 28 Ca -0.10 -1.18 -0.14 0.00 0.00 0.00 0.00 51.96 50.53 7i1b s ALA 28 Cb -0.14 -2.46 0.03 0.00 0.00 0.00 0.00 23.12 20.56 7i1b s ALA 28 CO -0.01 -0.65 0.70 -0.48 0.00 0.00 0.00 175.76 175.31 7i1b s LEU 29 N 1.72 0.14 -0.02 0.00 0.05 -0.93 -4.16 118.68 115.49 7i1b s LEU 29 Ca 0.07 -1.07 -0.30 0.00 0.05 0.00 0.00 54.13 52.88 7i1b s LEU 29 Cb -0.16 2.51 -0.05 0.00 -2.05 0.00 0.00 46.19 46.43 7i1b s LEU 29 CO 0.10 -1.51 1.47 -1.00 -0.55 0.00 0.00 176.35 174.86 7i1b s HIS 30 N -2.92 2.63 -0.10 3.48 3.76 -1.26 -2.33 115.29 118.54 7i1b s HIS 30 Ca 0.17 0.65 0.02 0.00 -0.15 0.00 0.00 55.06 55.75 7i1b s HIS 30 Cb -0.04 -3.74 0.02 0.00 1.11 0.00 0.00 32.58 29.93 7i1b s HIS 30 CO 0.12 -2.83 -0.14 -1.17 -0.85 0.00 0.00 174.74 169.86 7i1b s LEU 31 N 2.86 1.67 -0.08 0.89 2.96 -1.26 -4.96 118.68 120.75 7i1b s LEU 31 Ca 0.66 -0.40 -0.30 0.00 -0.22 0.00 0.00 54.13 53.87 7i1b s LEU 31 Cb -0.32 -1.04 0.07 0.00 0.50 0.00 0.00 46.19 45.41 7i1b s LEU 31 CO 0.27 0.01 0.69 -1.58 -1.32 0.00 0.00 176.35 174.41 7i1b s GLN 32 N 1.01 1.02 0.67 1.98 2.00 -1.26 -4.90 119.66 120.18 7i1b s GLN 32 Ca -0.06 0.35 0.00 0.00 -2.00 0.00 0.00 55.36 53.64 7i1b s GLN 32 Cb -0.15 0.48 0.00 0.00 0.80 0.00 0.00 33.01 34.15 7i1b s GLN 32 CO -0.02 -0.30 0.00 0.41 -0.50 0.00 0.00 175.29 174.89 7i1b n GLY 33 N 1.12 -1.78 0.40 2.59 0.00 -1.26 -4.18 105.19 102.09 7i1b n GLY 33 Ca -0.18 -1.76 0.20 0.00 0.00 0.00 0.00 46.02 44.28 7i1b n GLY 33 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 7i1b h GLN 34 N 0.00 0.27 0.00 1.61 3.07 -2.05 0.44 115.11 118.45 7i1b h GLN 34 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 7i1b h GLN 34 Cb 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 27.50 7i1b h GLN 34 CO 0.00 0.18 0.00 -3.47 0.09 0.00 0.00 178.83 175.63 7i1b n ASP 35 N -4.44 0.00 0.28 0.06 2.03 -1.26 -2.28 116.55 110.94 7i1b n ASP 35 Ca 0.17 -0.14 0.16 0.00 0.52 0.00 0.00 54.79 55.49 7i1b n ASP 35 Cb 0.69 -0.02 0.83 0.00 -0.72 0.00 0.00 41.12 41.90 7i1b n ASP 35 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 7i1b h MET 36 N 0.00 0.00 0.00 -0.67 2.86 -0.34 -1.43 114.93 115.35 7i1b h MET 36 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 7i1b h MET 36 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 7i1b h MET 36 CO 0.00 0.07 0.00 -0.85 1.06 0.00 0.00 176.91 177.19 7i1b n GLU 37 N -3.44 0.00 -0.62 1.72 0.28 -0.97 -2.15 120.64 115.47 7i1b n GLU 37 Ca -0.02 0.35 -0.11 0.00 -0.16 0.00 0.00 57.16 57.23 7i1b n GLU 37 Cb 0.21 -1.50 0.10 0.00 1.43 0.00 0.00 31.44 31.68 7i1b n GLU 37 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 7i1b n GLN 38 N -1.50 1.76 -3.55 3.44 6.02 -0.54 -4.85 117.38 118.16 7i1b n GLN 38 Ca 0.02 -1.56 -0.38 0.00 -0.01 0.00 0.00 57.00 55.08 7i1b n GLN 38 Cb 0.10 -1.63 -0.10 0.00 1.02 0.00 0.00 30.24 29.63 7i1b n GLN 38 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 7i1b s GLN 39 N -1.72 4.04 0.91 -1.09 0.74 -0.92 -4.38 119.66 117.24 7i1b s GLN 39 Ca 0.29 -0.16 -0.11 0.00 0.05 0.00 0.00 55.36 55.43 7i1b s GLN 39 Cb 0.24 -3.60 0.14 0.00 1.10 0.00 0.00 33.01 30.89 7i1b s GLN 39 CO 0.06 -0.09 1.09 0.08 -0.55 0.00 0.00 175.29 175.88 7i1b s VAL 40 N 1.50 2.62 -0.19 1.34 1.01 -1.09 -5.04 120.40 120.54 7i1b s VAL 40 Ca 0.10 0.20 -0.04 0.00 0.00 0.00 0.00 61.98 62.25 7i1b s VAL 40 Cb -0.15 -2.57 0.06 0.00 0.00 0.00 0.00 36.38 33.72 7i1b s VAL 40 CO 0.08 -0.26 0.05 -0.69 0.00 0.00 0.00 175.10 174.28 7i1b s VAL 41 N -2.84 0.31 0.23 2.92 1.01 -1.26 -4.76 120.40 116.01 7i1b s VAL 41 Ca 0.64 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.21 7i1b s VAL 41 Cb -0.19 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 7i1b s VAL 41 CO 0.58 -0.24 0.40 -0.36 0.00 0.00 0.00 175.10 175.48 7i1b s PHE 42 N 1.96 3.48 -0.44 5.22 0.08 -0.74 -2.97 117.98 124.56 7i1b s PHE 42 Ca 0.00 0.23 0.00 0.00 0.12 0.00 0.00 56.93 57.28 7i1b s PHE 42 Cb -0.17 -1.77 0.12 0.00 -0.57 0.00 0.00 43.02 40.63 7i1b s PHE 42 CO -0.08 0.37 0.21 0.45 -0.10 0.00 0.00 175.22 176.06 7i1b s SER 43 N -3.50 4.97 0.72 1.36 0.15 0.21 -1.35 113.70 116.25 7i1b s SER 43 Ca 0.37 -2.36 -0.15 0.00 0.70 0.00 0.00 55.95 54.52 7i1b s SER 43 Cb -0.10 -1.75 0.03 0.00 -1.71 0.00 0.00 66.02 62.49 7i1b s SER 43 CO 0.30 -0.42 1.17 -0.32 1.20 0.00 0.00 173.24 175.17 7i1b s MET 44 N 0.65 2.27 -0.05 5.44 1.75 0.62 -2.05 119.30 127.93 7i1b s MET 44 Ca 0.12 1.62 -0.02 0.00 -1.25 0.00 0.00 55.69 56.16 7i1b s MET 44 Cb -0.22 -1.86 0.03 0.00 2.84 0.00 0.00 34.83 35.62 7i1b s MET 44 CO -0.05 -1.70 0.05 -1.12 -0.65 0.00 0.00 175.02 171.54 7i1b s SER 45 N -2.27 1.27 -0.61 1.11 0.01 -0.14 -0.40 113.70 112.67 7i1b s SER 45 Ca 0.71 0.03 -0.28 0.00 1.31 0.00 0.00 55.95 57.73 7i1b s SER 45 Cb -0.26 -0.22 0.02 0.00 0.21 0.00 0.00 66.02 65.77 7i1b s SER 45 CO 0.45 -0.24 1.33 -0.36 0.41 0.00 0.00 173.24 174.84 7i1b s PHE 46 N 2.12 2.35 0.35 2.43 0.08 -0.95 -1.42 117.98 122.94 7i1b s PHE 46 Ca 0.05 0.34 0.05 0.00 0.12 0.00 0.00 56.93 57.49 7i1b s PHE 46 Cb -0.12 -4.48 0.06 0.00 -0.57 0.00 0.00 43.02 37.91 7i1b s PHE 46 CO -0.04 -1.90 0.48 1.33 -0.10 0.00 0.00 175.22 174.99 7i1b n VAL 47 N 6.70 0.00 -3.83 -0.44 0.24 -1.07 -4.34 118.33 115.59 7i1b n VAL 47 Ca 0.09 -1.13 -0.31 0.00 -2.04 0.00 0.00 64.34 60.95 7i1b n VAL 47 Cb 0.49 -0.73 -0.04 0.00 -1.47 0.00 0.00 33.84 32.09 7i1b n VAL 47 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 7i1b s GLN 48 N -3.58 3.50 0.00 7.34 -2.07 -0.91 -4.79 119.66 119.16 7i1b s GLN 48 Ca 0.36 -0.32 0.00 0.00 -1.82 0.00 0.00 55.36 53.59 7i1b s GLN 48 Cb -0.03 -2.97 0.00 0.00 -1.09 0.00 0.00 33.01 28.92 7i1b s GLN 48 CO 0.23 0.56 0.00 0.41 -1.32 0.00 0.00 175.29 175.17 7i1b n GLY 49 N 0.22 -1.13 3.49 2.60 0.00 -1.26 -4.71 105.19 104.40 7i1b n GLY 49 Ca -0.04 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.90 7i1b n GLY 49 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 7i1b n GLU 50 N 0.00 0.28 -1.97 1.61 -0.58 -1.26 -4.84 120.64 113.87 7i1b n GLU 50 Ca 0.00 -0.66 -0.42 0.00 -0.42 0.00 0.00 57.16 55.66 7i1b n GLU 50 Cb 0.00 -2.73 -0.03 0.00 -0.57 0.00 0.00 31.44 28.12 7i1b n GLU 50 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 7i1b s GLU 51 N 7.97 4.23 0.00 3.49 -6.30 -1.26 -4.83 118.70 122.01 7i1b s GLU 51 Ca 0.94 2.32 0.00 0.00 -2.50 0.00 0.00 54.97 55.73 7i1b s GLU 51 Cb -0.31 -3.16 0.00 0.00 0.00 0.00 0.00 34.13 30.66 7i1b s GLU 51 CO 0.23 -0.55 0.00 0.45 0.02 0.00 0.00 175.26 175.40 7i1b n SER 52 N 3.65 0.00 -0.07 -1.70 2.88 -1.24 -5.07 113.62 112.07 7i1b n SER 52 Ca 0.12 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.62 7i1b n SER 52 Cb 0.39 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.84 7i1b n SER 52 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 7i1b n ASN 53 N 0.00 1.73 -0.07 -3.46 3.02 -1.26 -4.71 115.26 110.51 7i1b n ASN 53 Ca 0.00 0.61 -0.04 0.00 -0.03 0.00 0.00 54.58 55.12 7i1b n ASN 53 Cb 0.00 -0.85 -0.15 0.00 -0.61 0.00 0.00 39.78 38.17 7i1b n ASN 53 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 7i1b n ASP 54 N -4.51 0.52 -4.56 6.41 8.00 -1.26 -4.82 116.55 116.34 7i1b n ASP 54 Ca -0.07 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.08 7i1b n ASP 54 Cb 0.26 1.21 -0.04 0.00 -0.02 0.00 0.00 41.12 42.53 7i1b n ASP 54 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 7i1b s LYS 55 N -2.69 2.80 -0.46 -1.24 -0.14 -1.26 -3.91 119.74 112.83 7i1b s LYS 55 Ca -0.08 -0.06 -0.05 0.00 -1.36 0.00 0.00 55.97 54.42 7i1b s LYS 55 Cb 0.07 -4.74 0.12 0.00 -1.68 0.00 0.00 37.83 31.60 7i1b s LYS 55 CO 0.76 -2.83 0.28 0.42 -0.76 0.00 0.00 175.35 173.22 7i1b s ILE 56 N 8.50 3.63 -0.25 2.17 -1.09 -1.08 -3.70 121.20 129.38 7i1b s ILE 56 Ca 0.61 -2.12 -0.28 0.00 -2.23 0.00 0.00 60.65 56.63 7i1b s ILE 56 Cb -0.08 -3.44 -0.04 0.00 -1.58 0.00 0.00 42.46 37.32 7i1b s ILE 56 CO 0.08 -0.75 2.02 -2.16 -1.23 0.00 0.00 174.94 172.90 7i1b s PRO 57 N 1.01 3.28 0.22 2.79 0.05 -1.26 -2.43 135.00 138.65 7i1b s PRO 57 Ca 0.09 1.80 0.01 0.00 0.05 0.00 0.00 61.00 62.95 7i1b s PRO 57 Cb -0.23 -4.28 -0.00 0.00 0.05 0.00 0.00 34.50 30.03 7i1b s PRO 57 CO -0.03 -1.93 0.03 1.33 0.05 0.00 0.00 177.00 176.44 7i1b n VAL 58 N 7.49 0.00 -3.70 -0.36 0.24 -1.04 -2.59 118.33 118.37 7i1b n VAL 58 Ca 0.26 -1.11 -0.14 0.00 -2.04 0.00 0.00 64.34 61.31 7i1b n VAL 58 Cb 0.45 0.29 -0.14 0.00 -1.47 0.00 0.00 33.84 32.98 7i1b n VAL 58 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 7i1b s ALA 59 N -2.45 -0.35 -0.49 2.33 0.00 -0.51 -1.50 121.76 118.79 7i1b s ALA 59 Ca 0.04 0.76 -0.23 0.00 0.00 0.00 0.00 51.96 52.53 7i1b s ALA 59 Cb 0.00 -0.73 0.04 0.00 0.00 0.00 0.00 23.12 22.43 7i1b s ALA 59 CO 0.03 -0.40 0.81 -0.51 0.00 0.00 0.00 175.76 175.69 7i1b s LEU 60 N 1.82 4.30 -0.15 0.00 1.43 -1.26 -0.96 118.68 123.86 7i1b s LEU 60 Ca -0.03 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 7i1b s LEU 60 Cb -0.12 -2.85 0.01 0.00 0.03 0.00 0.00 46.19 43.27 7i1b s LEU 60 CO -0.07 -1.01 -0.21 -0.83 0.23 0.00 0.00 176.35 174.46 7i1b s GLY 61 N 2.44 1.37 -0.01 -3.19 0.00 -0.87 -2.51 107.32 104.56 7i1b s GLY 61 Ca 0.28 -1.14 -0.36 0.00 0.00 0.00 0.00 44.72 43.50 7i1b s GLY 61 CO 0.20 0.09 1.60 1.04 0.00 0.00 0.00 173.10 176.03 7i1b n LEU 62 N 4.27 2.57 -0.16 0.66 4.77 -0.87 0.63 117.00 128.87 7i1b n LEU 62 Ca -0.20 1.07 -0.06 0.00 -0.03 0.00 0.00 56.01 56.78 7i1b n LEU 62 Cb 0.51 -1.28 0.10 0.00 -2.33 0.00 0.00 43.42 40.42 7i1b n LEU 62 CO 0.27 -0.51 0.86 0.50 -1.33 0.00 0.00 177.39 177.18 7i1b h LYS 63 N 6.44 0.92 0.53 3.23 3.64 -1.82 -3.25 116.57 126.26 7i1b h LYS 63 Ca -0.47 -0.26 -0.03 0.00 -1.27 0.00 0.00 60.65 58.62 7i1b h LYS 63 Cb 1.30 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 33.02 7i1b h LYS 63 CO 0.88 0.91 -0.25 0.93 -2.27 0.00 0.00 179.45 179.64 7i1b h GLU 64 N 0.85 -0.69 -5.52 1.90 4.39 -1.88 -3.46 114.58 110.17 7i1b h GLU 64 Ca 0.16 0.05 -0.64 0.00 0.34 0.00 0.00 59.36 59.27 7i1b h GLU 64 Cb 0.49 0.16 -0.09 0.00 -0.10 0.00 0.00 28.75 29.21 7i1b h GLU 64 CO 0.02 -0.39 -0.39 0.15 -1.16 0.00 0.00 179.01 177.24 7i1b s LYS 65 N -5.29 2.23 -0.50 2.33 -0.14 -1.22 -5.02 119.74 112.13 7i1b s LYS 65 Ca -0.16 -2.26 -0.01 0.00 -1.36 0.00 0.00 55.97 52.18 7i1b s LYS 65 Cb 0.03 -1.80 0.35 0.00 -1.68 0.00 0.00 37.83 34.72 7i1b s LYS 65 CO 0.55 -0.55 2.01 0.27 -0.76 0.00 0.00 175.35 176.88 7i1b n ASN 66 N -1.57 6.98 -4.55 2.83 0.23 -1.26 -4.26 115.26 113.66 7i1b n ASN 66 Ca -0.12 -3.45 -0.42 0.00 -0.53 0.00 0.00 54.58 50.07 7i1b n ASN 66 Cb 0.66 -1.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.28 7i1b n ASN 66 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 7i1b s LEU 67 N -2.89 4.41 -0.18 -4.53 1.43 -1.26 -2.68 118.68 112.98 7i1b s LEU 67 Ca 0.49 -0.12 -0.07 0.00 -1.03 0.00 0.00 54.13 53.39 7i1b s LEU 67 Cb 0.39 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 7i1b s LEU 67 CO -0.00 -0.52 0.07 -0.31 0.23 0.00 0.00 176.35 175.82 7i1b s TYR 68 N 2.40 3.29 0.45 0.29 1.51 -0.94 -2.06 117.35 122.29 7i1b s TYR 68 Ca 0.18 0.14 -0.25 0.00 -1.01 0.00 0.00 57.07 56.13 7i1b s TYR 68 Cb -0.15 -2.07 -0.08 0.00 -0.11 0.00 0.00 41.96 39.55 7i1b s TYR 68 CO 0.14 0.22 1.40 -0.51 -1.11 0.00 0.00 175.55 175.69 7i1b s LEU 69 N 0.22 4.11 -0.10 -1.29 1.43 -1.04 -2.52 118.68 119.49 7i1b s LEU 69 Ca 0.05 2.87 -0.15 0.00 -1.03 0.00 0.00 54.13 55.87 7i1b s LEU 69 Cb -0.12 -3.96 0.03 0.00 0.03 0.00 0.00 46.19 42.18 7i1b s LEU 69 CO 0.00 -1.16 0.37 -0.94 0.23 0.00 0.00 176.35 174.86 7i1b s SER 70 N -0.57 -0.35 -0.46 2.29 1.04 -0.24 -4.67 113.70 110.73 7i1b s SER 70 Ca 0.61 0.55 -0.20 0.00 0.48 0.00 0.00 55.95 57.39 7i1b s SER 70 Cb -0.43 0.62 0.03 0.00 0.10 0.00 0.00 66.02 66.35 7i1b s SER 70 CO 0.54 -0.26 0.62 0.00 0.98 0.00 0.00 173.24 175.13 7i1b s VAL 72 N 2.72 2.24 -0.02 0.00 -7.23 -0.86 -4.81 120.40 112.44 7i1b s VAL 72 Ca 0.19 -2.20 -0.24 0.00 -1.81 0.00 0.00 61.98 57.92 7i1b s VAL 72 Cb -0.16 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 7i1b s VAL 72 CO 0.16 -0.33 0.73 -0.76 -0.31 0.00 0.00 175.10 174.59 7i1b s LEU 73 N -3.12 4.38 -0.80 1.32 1.43 -1.26 -1.10 118.68 119.53 7i1b s LEU 73 Ca 0.24 1.31 0.02 0.00 -1.03 0.00 0.00 54.13 54.67 7i1b s LEU 73 Cb -0.05 -3.15 0.19 0.00 0.03 0.00 0.00 46.19 43.21 7i1b s LEU 73 CO 0.11 -0.06 0.64 0.29 0.23 0.00 0.00 176.35 177.56 7i1b n LYS 74 N 3.35 2.23 -1.80 1.70 4.76 0.66 -4.65 118.16 124.41 7i1b n LYS 74 Ca -0.02 -4.49 0.00 0.00 -2.87 0.00 0.00 58.31 50.93 7i1b n LYS 74 Cb 0.51 -2.35 0.00 0.00 -1.84 0.00 0.00 35.03 31.35 7i1b n LYS 74 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 7i1b n ASP 75 N 2.09 -1.73 -0.11 4.39 8.00 -1.26 -3.61 116.55 124.33 7i1b n ASP 75 Ca 0.21 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.70 7i1b n ASP 75 Cb 0.36 -0.43 -0.01 0.00 -0.02 0.00 0.00 41.12 41.02 7i1b n ASP 75 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 7i1b n ASP 76 N -0.52 -4.74 -4.12 -2.24 8.00 -1.26 -4.97 116.55 106.69 7i1b n ASP 76 Ca 0.00 0.03 -0.33 0.00 0.71 0.00 0.00 54.79 55.20 7i1b n ASP 76 Cb 0.43 -2.36 -0.15 0.00 -0.02 0.00 0.00 41.12 39.02 7i1b n ASP 76 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 7i1b s LYS 77 N -1.39 2.44 0.44 -1.24 2.20 -1.24 -5.07 119.74 115.89 7i1b s LYS 77 Ca 0.00 -1.22 -0.24 0.00 -0.36 0.00 0.00 55.97 54.14 7i1b s LYS 77 Cb 0.00 -2.94 -0.09 0.00 -1.51 0.00 0.00 37.83 33.29 7i1b s LYS 77 CO 0.00 -0.52 1.16 -2.30 -0.36 0.00 0.00 175.35 173.33 7i1b n PRO 78 N 4.53 1.63 -3.85 4.03 -0.02 -1.26 -0.25 135.00 139.81 7i1b n PRO 78 Ca -0.15 0.59 -0.09 0.00 -2.02 0.00 0.00 63.50 61.83 7i1b n PRO 78 Cb 0.44 -2.26 -0.04 0.00 -0.02 0.00 0.00 33.50 31.62 7i1b n PRO 78 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 7i1b s THR 79 N -1.25 0.01 -0.15 3.45 2.01 -0.26 -4.77 115.64 114.68 7i1b s THR 79 Ca 0.64 -1.03 -0.07 0.00 0.31 0.00 0.00 61.69 61.54 7i1b s THR 79 Cb -0.51 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 7i1b s THR 79 CO 0.56 -0.05 0.08 -0.22 -0.69 0.00 0.00 174.62 174.30 7i1b s LEU 80 N -2.93 3.99 0.09 4.42 2.96 -1.26 -2.04 118.68 123.91 7i1b s LEU 80 Ca 0.14 0.22 -0.20 0.00 -0.22 0.00 0.00 54.13 54.07 7i1b s LEU 80 Cb -0.02 -1.98 0.05 0.00 0.50 0.00 0.00 46.19 44.73 7i1b s LEU 80 CO 0.04 0.28 0.48 -1.58 -1.32 0.00 0.00 176.35 174.25 7i1b s GLN 81 N -0.26 1.08 -0.25 1.98 0.74 -0.87 -4.80 119.66 117.28 7i1b s GLN 81 Ca 0.09 -0.46 -0.16 0.00 0.05 0.00 0.00 55.36 54.88 7i1b s GLN 81 Cb -0.12 0.49 -0.04 0.00 1.10 0.00 0.00 33.01 34.44 7i1b s GLN 81 CO 0.01 -0.42 0.41 -0.51 -0.55 0.00 0.00 175.29 174.23 7i1b s LEU 82 N -2.41 4.08 -0.09 3.68 1.43 -1.26 -1.08 118.68 123.03 7i1b s LEU 82 Ca -0.01 0.40 0.03 0.00 -1.03 0.00 0.00 54.13 53.52 7i1b s LEU 82 Cb 0.00 -2.50 0.01 0.00 0.03 0.00 0.00 46.19 43.73 7i1b s LEU 82 CO -0.07 -0.17 -0.19 -0.70 0.23 0.00 0.00 176.35 175.45 7i1b s GLU 83 N 1.89 2.49 0.01 1.70 2.56 -1.05 -4.92 118.70 121.38 7i1b s GLU 83 Ca 0.17 -0.68 -0.30 0.00 0.00 0.00 0.00 54.97 54.16 7i1b s GLU 83 Cb -0.15 -1.95 -0.05 0.00 2.00 0.00 0.00 34.13 33.97 7i1b s GLU 83 CO 0.09 0.09 1.35 0.45 -0.56 0.00 0.00 175.26 176.68 7i1b s SER 84 N 0.55 6.90 0.10 -1.70 0.15 -1.26 -2.22 113.70 116.22 7i1b s SER 84 Ca -0.15 2.09 0.00 0.00 0.70 0.00 0.00 55.95 58.58 7i1b s SER 84 Cb -0.17 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 7i1b s SER 84 CO 0.05 -0.66 0.00 1.33 1.20 0.00 0.00 173.24 175.16 7i1b n VAL 85 N 4.48 0.00 -3.08 4.45 0.24 -1.09 -4.96 118.33 118.37 7i1b n VAL 85 Ca 0.12 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.00 7i1b n VAL 85 Cb 0.44 -1.15 -0.06 0.00 -1.47 0.00 0.00 33.84 31.60 7i1b n VAL 85 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 7i1b s ASP 86 N -1.00 6.45 0.00 -1.34 2.15 -1.26 -4.90 116.67 116.76 7i1b s ASP 86 Ca 0.00 0.16 0.03 0.00 0.43 0.00 0.00 52.55 53.18 7i1b s ASP 86 Cb 0.00 -2.34 0.14 0.00 -0.30 0.00 0.00 42.92 40.42 7i1b s ASP 86 CO 0.00 -0.63 1.04 -2.65 -0.17 0.00 0.00 175.17 172.75 7i1b n PRO 87 N 6.14 0.02 -0.08 4.34 -0.02 -1.26 -1.11 135.00 143.03 7i1b n PRO 87 Ca -0.00 0.38 -0.17 0.00 -2.02 0.00 0.00 63.50 61.69 7i1b n PRO 87 Cb 0.48 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.33 7i1b n PRO 87 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 7i1b n LYS 88 N -1.42 0.69 0.03 -0.52 5.02 -1.26 -4.54 118.16 116.16 7i1b n LYS 88 Ca 0.01 0.17 -0.22 0.00 -2.02 0.00 0.00 58.31 56.25 7i1b n LYS 88 Cb 0.03 -1.60 -0.14 0.00 -0.02 0.00 0.00 35.03 33.30 7i1b n LYS 88 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 7i1b h ASN 89 N 0.02 0.46 -3.05 4.39 2.35 -1.81 -3.46 115.58 114.48 7i1b h ASN 89 Ca -0.50 -0.89 -0.59 0.00 -0.55 0.00 0.00 56.30 53.77 7i1b h ASN 89 Cb 2.01 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 40.19 7i1b h ASN 89 CO -0.00 1.61 -0.38 -0.31 -1.65 0.00 0.00 177.43 176.70 7i1b s TYR 90 N -2.49 3.49 0.40 1.19 2.02 -0.26 -3.77 117.35 117.93 7i1b s TYR 90 Ca -0.18 0.43 -0.24 0.00 -0.37 0.00 0.00 57.07 56.71 7i1b s TYR 90 Cb 0.04 -1.90 -0.09 0.00 -0.40 0.00 0.00 41.96 39.61 7i1b s TYR 90 CO 0.80 0.49 1.11 -1.25 -1.57 0.00 0.00 175.55 175.13 7i1b s PRO 91 N -2.65 4.09 0.07 -1.71 0.04 -1.26 -4.55 135.00 129.02 7i1b s PRO 91 Ca 0.39 1.67 0.03 0.00 0.04 0.00 0.00 61.00 63.12 7i1b s PRO 91 Cb -0.12 -2.60 -0.03 0.00 0.04 0.00 0.00 34.50 31.79 7i1b s PRO 91 CO 0.26 -0.24 -0.09 0.21 0.04 0.00 0.00 177.00 177.18 7i1b s LYS 92 N -2.41 0.69 0.21 4.56 2.20 -1.25 -4.21 119.74 119.53 7i1b s LYS 92 Ca 0.58 -0.98 -0.10 0.00 -0.36 0.00 0.00 55.97 55.10 7i1b s LYS 92 Cb -0.26 -0.37 0.15 0.00 -1.51 0.00 0.00 37.83 35.84 7i1b s LYS 92 CO 0.33 0.05 1.88 -0.22 -0.36 0.00 0.00 175.35 177.03 7i1b h LYS 93 N 3.96 0.98 -6.14 4.03 3.64 -1.92 -3.42 116.57 117.71 7i1b h LYS 93 Ca -0.36 -0.06 -0.58 0.00 -1.27 0.00 0.00 60.65 58.37 7i1b h LYS 93 Cb 1.19 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 32.75 7i1b h LYS 93 CO 0.48 0.65 -0.30 0.21 -2.27 0.00 0.00 179.45 178.23 7i1b s LYS 94 N -6.13 3.65 0.01 1.90 2.20 -1.26 -2.14 119.74 117.97 7i1b s LYS 94 Ca -0.13 -0.01 -0.04 0.00 -0.36 0.00 0.00 55.97 55.43 7i1b s LYS 94 Cb 0.15 -2.89 -0.01 0.00 -1.51 0.00 0.00 37.83 33.57 7i1b s LYS 94 CO 0.78 0.50 0.06 -1.64 -0.36 0.00 0.00 175.35 174.69 7i1b s MET 95 N -2.42 0.39 0.65 4.03 -1.94 -1.26 -5.00 119.30 113.75 7i1b s MET 95 Ca 0.38 -0.47 -0.13 0.00 -1.71 0.00 0.00 55.69 53.77 7i1b s MET 95 Cb -0.13 0.15 -0.01 0.00 2.01 0.00 0.00 34.83 36.85 7i1b s MET 95 CO 0.22 -0.08 1.05 -1.21 -0.01 0.00 0.00 175.02 174.99 7i1b s GLU 96 N -1.35 3.17 0.44 2.03 2.02 -1.26 -4.77 118.70 118.98 7i1b s GLU 96 Ca -0.15 1.00 0.19 0.00 0.02 0.00 0.00 54.97 56.04 7i1b s GLU 96 Cb -0.08 -2.02 1.14 0.00 0.10 0.00 0.00 34.13 33.26 7i1b s GLU 96 CO 0.00 -0.92 1.90 0.87 0.02 0.00 0.00 175.26 177.13 7i1b h LYS 97 N -0.26 0.33 -0.81 1.61 1.79 -1.91 0.12 116.57 117.43 7i1b h LYS 97 Ca -0.45 -0.02 0.08 0.00 -2.18 0.00 0.00 60.65 58.08 7i1b h LYS 97 Cb 1.21 -0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 31.73 7i1b h LYS 97 CO 0.58 0.22 0.53 0.00 -1.08 0.00 0.00 179.45 179.69 7i1b h ARG 98 N 0.33 0.80 -0.00 3.15 3.08 -1.91 -1.93 114.38 117.91 7i1b h ARG 98 Ca 0.40 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.40 7i1b h ARG 98 Cb 1.07 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.93 7i1b h ARG 98 CO -0.12 0.53 -0.86 1.19 -1.07 0.00 0.00 179.97 179.64 7i1b n PHE 99 N -4.50 0.00 -2.97 3.04 3.72 0.25 -2.66 117.46 114.34 7i1b n PHE 99 Ca 0.13 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.12 7i1b n PHE 99 Cb 0.27 -0.04 -0.05 0.00 -0.94 0.00 0.00 39.48 38.72 7i1b n PHE 99 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 7i1b s VAL 100 N -2.93 4.94 -0.25 -4.37 1.01 -0.26 -4.45 120.40 114.09 7i1b s VAL 100 Ca 0.10 1.50 0.01 0.00 0.00 0.00 0.00 61.98 63.58 7i1b s VAL 100 Cb 0.16 -4.08 0.04 0.00 0.00 0.00 0.00 36.38 32.51 7i1b s VAL 100 CO 0.81 0.09 -0.10 -0.36 0.00 0.00 0.00 175.10 175.53 7i1b s PHE 101 N 1.85 3.12 -0.47 5.22 0.40 -0.56 -2.35 117.98 125.19 7i1b s PHE 101 Ca 0.36 -1.95 -0.27 0.00 -0.60 0.00 0.00 56.93 54.46 7i1b s PHE 101 Cb -0.17 -1.98 -0.02 0.00 0.51 0.00 0.00 43.02 41.36 7i1b s PHE 101 CO 0.13 -0.82 1.86 -0.80 0.70 0.00 0.00 175.22 176.29 7i1b s ASN 102 N 1.21 5.51 -0.77 1.36 0.01 -0.94 -2.50 114.94 118.82 7i1b s ASN 102 Ca -0.04 0.84 -0.26 0.00 -0.71 0.00 0.00 52.86 52.69 7i1b s ASN 102 Cb -0.18 -2.53 0.04 0.00 0.41 0.00 0.00 41.25 39.00 7i1b s ASN 102 CO -0.06 -2.09 1.26 -0.75 -1.51 0.00 0.00 177.10 173.95 7i1b s LYS 103 N 6.46 3.25 0.46 -0.60 2.20 -1.02 -2.54 119.74 127.95 7i1b s LYS 103 Ca 0.75 -0.48 0.04 0.00 -0.36 0.00 0.00 55.97 55.92 7i1b s LYS 103 Cb -0.17 -4.38 0.01 0.00 -1.51 0.00 0.00 37.83 31.79 7i1b s LYS 103 CO 0.27 -2.11 0.64 0.42 -0.36 0.00 0.00 175.35 174.22 7i1b s ILE 104 N 5.35 3.16 -0.05 5.43 1.01 0.45 -2.63 121.20 133.91 7i1b s ILE 104 Ca 0.35 -0.81 0.05 0.00 0.00 0.00 0.00 60.65 60.23 7i1b s ILE 104 Cb -0.08 -3.12 -0.00 0.00 0.01 0.00 0.00 42.46 39.27 7i1b s ILE 104 CO 0.10 -0.07 -0.19 -1.61 0.00 0.00 0.00 174.94 173.17 7i1b s GLU 105 N -4.50 2.06 -0.36 2.79 2.02 -1.26 -1.67 118.70 117.78 7i1b s GLU 105 Ca 0.54 -0.69 -0.00 0.00 0.02 0.00 0.00 54.97 54.84 7i1b s GLU 105 Cb -0.10 -1.74 0.13 0.00 0.10 0.00 0.00 34.13 32.51 7i1b s GLU 105 CO 0.35 0.25 0.19 0.42 0.02 0.00 0.00 175.26 176.50 7i1b s ILE 106 N 0.06 0.56 -1.14 -1.63 1.01 0.72 -4.87 121.20 115.92 7i1b s ILE 106 Ca -0.06 -1.75 -0.02 0.00 0.00 0.00 0.00 60.65 58.82 7i1b s ILE 106 Cb -0.13 -1.41 0.00 0.00 0.01 0.00 0.00 42.46 40.93 7i1b s ILE 106 CO 0.03 -0.88 0.96 -3.20 0.00 0.00 0.00 174.94 171.86 7i1b n ASN 107 N 4.21 -3.13 0.00 3.58 2.85 -1.26 -1.81 115.26 119.70 7i1b n ASN 107 Ca 0.06 -0.55 0.00 0.00 -0.11 0.00 0.00 54.58 53.99 7i1b n ASN 107 Cb 0.38 -4.71 0.00 0.00 1.24 0.00 0.00 39.78 36.69 7i1b n ASN 107 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 7i1b n ASN 108 N -2.86 0.00 -4.95 1.20 5.15 -1.26 -5.01 115.26 107.53 7i1b n ASN 108 Ca -0.19 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.55 7i1b n ASN 108 Cb 0.63 -0.03 -0.03 0.00 -0.53 0.00 0.00 39.78 39.82 7i1b n ASN 108 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 7i1b s LYS 109 N -0.01 3.46 0.09 1.20 -0.14 -0.75 -5.00 119.74 118.58 7i1b s LYS 109 Ca 0.00 -0.59 0.04 0.00 -1.36 0.00 0.00 55.97 54.07 7i1b s LYS 109 Cb 0.00 -2.89 -0.04 0.00 -1.68 0.00 0.00 37.83 33.22 7i1b s LYS 109 CO 0.00 0.43 0.01 -0.51 -0.76 0.00 0.00 175.35 174.52 7i1b s LEU 110 N -3.61 3.51 -0.05 3.17 1.43 -0.51 -0.20 118.68 122.42 7i1b s LEU 110 Ca 0.36 -0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.28 7i1b s LEU 110 Cb -0.10 -2.23 0.03 0.00 0.03 0.00 0.00 46.19 43.92 7i1b s LEU 110 CO 0.29 0.18 0.11 -0.70 0.23 0.00 0.00 176.35 176.46 7i1b s GLU 111 N -2.30 0.06 -0.37 1.70 2.12 -0.67 -0.22 118.70 119.02 7i1b s GLU 111 Ca 0.26 0.31 -0.05 0.00 0.36 0.00 0.00 54.97 55.85 7i1b s GLU 111 Cb -0.12 -0.19 0.07 0.00 0.26 0.00 0.00 34.13 34.15 7i1b s GLU 111 CO 0.19 -0.16 0.14 -0.06 -0.54 0.00 0.00 175.26 174.83 7i1b s PHE 112 N 1.08 3.36 -0.09 5.30 0.08 -1.26 -0.41 117.98 126.04 7i1b s PHE 112 Ca -0.09 -1.80 -0.14 0.00 0.12 0.00 0.00 56.93 55.02 7i1b s PHE 112 Cb -0.11 -2.63 -0.05 0.00 -0.57 0.00 0.00 43.02 39.66 7i1b s PHE 112 CO -0.05 -0.83 0.35 -2.00 -0.10 0.00 0.00 175.22 172.59 7i1b s GLU 113 N 1.31 4.06 -0.42 0.44 2.12 -1.05 -2.26 118.70 122.90 7i1b s GLU 113 Ca 0.01 0.25 -0.27 0.00 0.36 0.00 0.00 54.97 55.32 7i1b s GLU 113 Cb -0.21 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.81 7i1b s GLU 113 CO -0.00 0.44 2.10 0.45 -0.54 0.00 0.00 175.26 177.71 7i1b s SER 114 N -0.22 5.19 0.61 -1.70 0.15 0.08 -2.21 113.70 115.61 7i1b s SER 114 Ca 0.21 1.14 0.19 0.00 0.70 0.00 0.00 55.95 58.18 7i1b s SER 114 Cb -0.15 -2.52 1.02 0.00 -1.71 0.00 0.00 66.02 62.67 7i1b s SER 114 CO 0.08 -2.29 1.55 0.00 1.20 0.00 0.00 173.24 173.79 7i1b h ALA 115 N 15.95 1.51 0.00 5.45 0.00 -1.62 -0.44 119.26 140.11 7i1b h ALA 115 Ca -0.30 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 7i1b h ALA 115 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 7i1b h ALA 115 CO 1.10 -0.51 -0.04 0.37 0.00 0.00 0.00 179.25 180.18 7i1b h GLN 116 N 0.00 0.00 -4.05 0.00 4.15 -1.81 -3.43 115.11 109.97 7i1b h GLN 116 Ca 0.00 0.00 -0.70 0.00 0.77 0.00 0.00 58.65 58.72 7i1b h GLN 116 Cb 1.06 0.00 -0.34 0.00 0.21 0.00 0.00 27.48 28.41 7i1b h GLN 116 CO 0.00 0.22 -0.42 -0.06 -1.93 0.00 0.00 178.83 176.64 7i1b s PHE 117 N -1.73 3.50 0.81 3.99 0.08 -0.18 -5.08 117.98 119.37 7i1b s PHE 117 Ca -0.05 -2.43 -0.13 0.00 0.12 0.00 0.00 56.93 54.44 7i1b s PHE 117 Cb -0.00 -3.29 0.08 0.00 -0.57 0.00 0.00 43.02 39.23 7i1b s PHE 117 CO 0.16 -0.92 1.17 -2.30 -0.10 0.00 0.00 175.22 173.22 7i1b n PRO 118 N 4.16 0.17 0.00 0.24 -0.02 -1.21 -2.32 135.00 136.02 7i1b n PRO 118 Ca 0.02 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 7i1b n PRO 118 Cb 0.40 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 7i1b n PRO 118 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 7i1b n ASN 119 N -3.15 0.00 -4.31 2.55 4.13 -1.26 -4.97 115.26 108.24 7i1b n ASN 119 Ca 0.13 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 56.03 7i1b n ASN 119 Cb 0.50 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.62 7i1b n ASN 119 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 7i1b s TRP 120 N -2.56 3.14 0.54 3.10 0.52 -0.98 -4.42 118.94 118.28 7i1b s TRP 120 Ca 0.00 -1.10 0.02 0.00 0.02 0.00 0.00 56.10 55.04 7i1b s TRP 120 Cb 0.00 -2.22 0.02 0.00 -1.15 0.00 0.00 33.47 30.12 7i1b s TRP 120 CO 0.00 -0.61 0.15 0.71 0.02 0.00 0.00 176.95 177.23 7i1b s TYR 121 N 1.46 1.64 -0.15 -1.98 1.51 -0.72 -0.74 117.35 118.37 7i1b s TYR 121 Ca 0.02 -0.97 -0.24 0.00 -1.01 0.00 0.00 57.07 54.88 7i1b s TYR 121 Cb -0.17 -1.69 -0.02 0.00 -0.11 0.00 0.00 41.96 39.96 7i1b s TYR 121 CO 0.01 -0.08 0.75 0.42 -1.11 0.00 0.00 175.55 175.54 7i1b s ILE 122 N -2.87 4.95 0.14 2.71 1.01 -0.96 -1.53 121.20 124.66 7i1b s ILE 122 Ca 0.12 1.49 0.01 0.00 0.00 0.00 0.00 60.65 62.27 7i1b s ILE 122 Cb -0.01 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 7i1b s ILE 122 CO 0.08 0.10 -0.00 -0.44 0.00 0.00 0.00 174.94 174.67 7i1b s SER 123 N 1.08 0.99 0.15 3.58 0.01 -0.57 -4.59 113.70 114.36 7i1b s SER 123 Ca 0.36 -1.14 0.02 0.00 1.31 0.00 0.00 55.95 56.51 7i1b s SER 123 Cb -0.17 0.15 -0.04 0.00 0.21 0.00 0.00 66.02 66.17 7i1b s SER 123 CO 0.13 -0.58 -0.03 0.42 0.41 0.00 0.00 173.24 173.59 7i1b s THR 124 N -3.74 0.76 -0.27 1.44 -4.23 -0.98 -2.64 115.64 105.99 7i1b s THR 124 Ca 0.21 -1.98 -0.11 0.00 -1.18 0.00 0.00 61.69 58.63 7i1b s THR 124 Cb 0.06 -1.96 -0.05 0.00 1.34 0.00 0.00 72.50 71.89 7i1b s THR 124 CO 0.01 -0.62 0.18 -0.55 -0.54 0.00 0.00 174.62 173.10 7i1b s SER 125 N -3.14 6.01 0.56 3.99 0.15 -1.26 -2.66 113.70 117.34 7i1b s SER 125 Ca 0.20 0.01 0.35 0.00 0.70 0.00 0.00 55.95 57.20 7i1b s SER 125 Cb 0.05 -2.11 1.49 0.00 -1.71 0.00 0.00 66.02 63.74 7i1b s SER 125 CO 0.01 -0.02 1.77 -0.61 1.20 0.00 0.00 173.24 175.59 7i1b h GLN 126 N 8.16 0.00 -6.27 5.44 4.15 -1.94 -3.42 115.11 121.23 7i1b h GLN 126 Ca -0.36 0.00 -0.49 0.00 0.77 0.00 0.00 58.65 58.57 7i1b h GLN 126 Cb 1.18 0.00 0.25 0.00 0.21 0.00 0.00 27.48 29.12 7i1b h GLN 126 CO 0.58 0.00 -1.95 0.00 -1.93 0.00 0.00 178.83 175.53 7i1b n ALA 127 N -2.64 -5.03 -2.40 3.38 0.00 -1.26 -4.90 120.51 107.65 7i1b n ALA 127 Ca 0.22 -1.21 -0.38 0.00 0.00 0.00 0.00 53.44 52.06 7i1b n ALA 127 Cb 1.18 -1.14 -0.06 0.00 0.00 0.00 0.00 19.45 19.43 7i1b n ALA 127 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 7i1b s GLU 128 N -2.58 4.19 -0.49 0.00 2.02 -1.26 -4.52 118.70 116.06 7i1b s GLU 128 Ca 0.44 0.65 -0.23 0.00 0.02 0.00 0.00 54.97 55.86 7i1b s GLU 128 Cb -0.02 -3.28 0.03 0.00 0.10 0.00 0.00 34.13 30.96 7i1b s GLU 128 CO 0.68 0.55 0.64 0.09 0.02 0.00 0.00 175.26 177.24 7i1b n ASN 129 N 2.13 -6.77 -3.88 -0.19 4.13 -1.26 -5.02 115.26 104.40 7i1b n ASN 129 Ca -0.10 0.11 -0.18 0.00 1.68 0.00 0.00 54.58 56.09 7i1b n ASN 129 Cb 0.51 -3.66 -0.16 0.00 -1.54 0.00 0.00 39.78 34.93 7i1b n ASN 129 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 7i1b s MET 130 N -2.74 0.51 0.37 3.52 -1.94 -1.26 -5.03 119.30 112.74 7i1b s MET 130 Ca 0.27 -0.05 -0.28 0.00 -1.71 0.00 0.00 55.69 53.92 7i1b s MET 130 Cb -0.05 -0.58 -0.11 0.00 2.01 0.00 0.00 34.83 36.10 7i1b s MET 130 CO 0.82 -0.06 1.51 -1.25 -0.01 0.00 0.00 175.02 176.03 7i1b s PRO 131 N 0.71 4.09 0.64 2.03 0.04 -1.26 -2.74 135.00 138.51 7i1b s PRO 131 Ca -0.08 2.60 -0.15 0.00 0.04 0.00 0.00 61.00 63.40 7i1b s PRO 131 Cb -0.11 -2.97 -0.01 0.00 0.04 0.00 0.00 34.50 31.45 7i1b s PRO 131 CO -0.01 -0.56 1.10 0.08 0.04 0.00 0.00 177.00 177.65 7i1b s VAL 132 N -1.04 3.40 0.32 -0.36 1.01 -1.03 -4.75 120.40 117.95 7i1b s VAL 132 Ca 0.54 0.65 -0.18 0.00 0.00 0.00 0.00 61.98 62.99 7i1b s VAL 132 Cb -0.47 -3.18 0.07 0.00 0.00 0.00 0.00 36.38 32.79 7i1b s VAL 132 CO 0.63 -0.40 0.89 0.72 0.00 0.00 0.00 175.10 176.93 7i1b s PHE 133 N -2.38 0.13 -0.23 5.22 -0.71 -1.08 -4.86 117.98 114.07 7i1b s PHE 133 Ca 0.66 -0.72 -0.09 0.00 -1.04 0.00 0.00 56.93 55.74 7i1b s PHE 133 Cb -0.19 0.80 -0.04 0.00 -1.21 0.00 0.00 43.02 42.38 7i1b s PHE 133 CO 0.40 -1.37 0.11 -1.17 -1.34 0.00 0.00 175.22 171.86 7i1b s LEU 134 N -3.22 3.89 0.08 -1.99 2.96 -1.26 -1.51 118.68 117.63 7i1b s LEU 134 Ca 0.18 0.03 0.05 0.00 -0.22 0.00 0.00 54.13 54.18 7i1b s LEU 134 Cb -0.04 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 7i1b s LEU 134 CO 0.10 0.07 -0.13 -0.83 -1.32 0.00 0.00 176.35 174.24 7i1b s GLY 135 N 0.99 0.87 -0.73 7.98 0.00 -0.58 -4.70 107.32 111.15 7i1b s GLY 135 Ca 0.06 -1.05 0.01 0.00 0.00 0.00 0.00 44.72 43.73 7i1b s GLY 135 CO 0.03 -1.09 1.66 0.61 0.00 0.00 0.00 173.10 174.32 7i1b n GLY 136 N 1.10 5.75 2.72 0.20 0.00 -1.26 -1.75 105.19 111.94 7i1b n GLY 136 Ca -0.20 -2.60 -0.30 0.00 0.00 0.00 0.00 46.02 42.93 7i1b n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 7i1b s THR 137 N -5.09 1.32 0.01 2.61 2.01 -1.26 -4.97 115.64 110.27 7i1b s THR 137 Ca 0.49 -2.34 -0.30 0.00 0.31 0.00 0.00 61.69 59.85 7i1b s THR 137 Cb 0.39 -1.94 -0.07 0.00 0.01 0.00 0.00 72.50 70.89 7i1b s THR 137 CO -0.30 -0.85 1.71 -0.75 -0.69 0.00 0.00 174.62 173.74 7i1b s LYS 138 N 0.59 4.18 7.27 4.92 2.36 -1.26 -4.65 119.74 133.15 7i1b s LYS 138 Ca 0.16 2.32 0.00 0.00 -2.55 0.00 0.00 55.97 55.90 7i1b s LYS 138 Cb -0.23 -3.87 0.00 0.00 -1.05 0.00 0.00 37.83 32.68 7i1b s LYS 138 CO -0.04 -0.82 0.00 0.41 1.55 0.00 0.00 175.35 176.45 7i1b n GLY 139 N 4.15 4.15 7.00 5.54 0.00 -1.26 -4.85 105.19 119.92 7i1b n GLY 139 Ca 0.17 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.37 7i1b n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 7i1b n GLY 140 N 0.00 4.05 0.08 -0.02 0.00 -1.26 -2.59 105.19 105.45 7i1b n GLY 140 Ca 0.00 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 7i1b n GLY 140 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 7i1b n GLN 141 N 13.67 1.31 -2.63 1.61 0.00 -1.26 -4.98 117.38 125.10 7i1b n GLN 141 Ca 0.00 0.01 -0.33 0.00 -0.00 0.00 0.00 57.00 56.68 7i1b n GLN 141 Cb 0.00 -1.40 -0.05 0.00 0.00 0.00 0.00 30.24 28.79 7i1b n GLN 141 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 7i1b s ASP 142 N -5.07 6.76 -0.52 1.69 1.11 -1.07 -4.81 116.67 114.76 7i1b s ASP 142 Ca -0.11 1.66 -0.19 0.00 0.18 0.00 0.00 52.55 54.10 7i1b s ASP 142 Cb 0.05 -2.53 0.07 0.00 1.07 0.00 0.00 42.92 41.58 7i1b s ASP 142 CO 0.62 -0.49 0.61 -0.63 1.18 0.00 0.00 175.17 176.45 7i1b s ILE 143 N -2.34 4.92 -0.13 0.77 1.01 -1.09 -4.26 121.20 120.07 7i1b s ILE 143 Ca 0.61 -0.66 0.18 0.00 0.00 0.00 0.00 60.65 60.79 7i1b s ILE 143 Cb -0.10 -4.31 -0.22 0.00 0.01 0.00 0.00 42.46 37.84 7i1b s ILE 143 CO 0.21 -0.83 0.49 0.35 0.00 0.00 0.00 174.94 175.16 7i1b n THR 144 N 5.55 0.97 -1.31 2.92 -2.24 -1.26 -2.31 114.28 116.59 7i1b n THR 144 Ca -0.08 -0.70 -0.29 0.00 -2.27 0.00 0.00 64.05 60.71 7i1b n THR 144 Cb 0.45 -0.47 0.14 0.00 -2.10 0.00 0.00 70.33 68.35 7i1b n THR 144 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 7i1b s ASP 145 N -5.38 3.39 0.25 3.42 1.47 -1.26 -4.61 116.67 113.95 7i1b s ASP 145 Ca -0.06 1.28 -0.06 0.00 1.18 0.00 0.00 52.55 54.88 7i1b s ASP 145 Cb 0.09 -1.95 0.03 0.00 -0.34 0.00 0.00 42.92 40.75 7i1b s ASP 145 CO 0.84 -2.66 0.44 0.49 0.68 0.00 0.00 175.17 174.96 7i1b n PHE 146 N -3.88 -1.60 -3.52 2.11 3.72 0.69 -4.16 117.46 110.83 7i1b n PHE 146 Ca 0.06 -1.33 -0.09 0.00 -0.05 0.00 0.00 57.45 56.04 7i1b n PHE 146 Cb 0.57 0.51 -0.09 0.00 -0.94 0.00 0.00 39.48 39.53 7i1b n PHE 146 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 7i1b s THR 147 N -2.52 -0.63 0.34 4.37 -4.23 0.35 -1.43 115.64 111.90 7i1b s THR 147 Ca 0.14 0.07 -0.02 0.00 -1.18 0.00 0.00 61.69 60.70 7i1b s THR 147 Cb -0.02 -0.72 -0.04 0.00 1.34 0.00 0.00 72.50 73.06 7i1b s THR 147 CO 0.10 -0.01 0.58 -0.32 -0.54 0.00 0.00 174.62 174.43 7i1b s MET 148 N 2.58 3.55 -0.11 3.99 1.75 -1.26 -1.55 119.30 128.25 7i1b s MET 148 Ca 0.05 -0.13 -0.01 0.00 -1.25 0.00 0.00 55.69 54.35 7i1b s MET 148 Cb -0.13 -2.62 0.03 0.00 2.84 0.00 0.00 34.83 34.95 7i1b s MET 148 CO -0.14 0.13 -0.02 -0.65 -0.65 0.00 0.00 175.02 173.69 7i1b s GLN 149 N -4.05 0.95 -0.06 4.11 -1.52 -1.04 -4.97 119.66 113.07 7i1b s GLN 149 Ca 0.42 -0.14 -0.30 0.00 -1.95 0.00 0.00 55.36 53.40 7i1b s GLN 149 Cb -0.10 -1.43 -0.04 0.00 -0.22 0.00 0.00 33.01 31.22 7i1b s GLN 149 CO 0.35 -0.36 1.39 -0.06 -0.25 0.00 0.00 175.29 176.35 7i1b s PHE 150 N 1.85 2.72 0.27 0.91 0.40 -1.26 -2.41 117.98 120.47 7i1b s PHE 150 Ca 0.04 0.80 0.08 0.00 -0.60 0.00 0.00 56.93 57.25 7i1b s PHE 150 Cb -0.13 -3.64 -0.04 0.00 0.51 0.00 0.00 43.02 39.72 7i1b s PHE 150 CO -0.07 -2.37 0.10 0.14 0.70 0.00 0.00 175.22 173.72 7i1b s VAL 151 N 3.00 3.77 0.35 -0.44 -7.23 -1.14 -5.00 120.40 113.71 7i1b s VAL 151 Ca 0.62 -1.67 0.07 0.00 -1.81 0.00 0.00 61.98 59.19 7i1b s VAL 151 Cb -0.28 -3.08 -0.03 0.00 0.56 0.00 0.00 36.38 33.55 7i1b s VAL 151 CO 0.23 -0.33 0.30 -0.55 -0.31 0.00 0.00 175.10 174.44 7i1b s SER 152 N -3.77 5.25 0.00 4.85 0.15 -1.26 -4.70 113.70 114.21 7i1b s SER 152 Ca 0.33 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.45 7i1b s SER 152 Cb -0.06 -0.92 0.00 0.00 -1.71 0.00 0.00 66.02 63.33 7i1b s SER 152 CO 0.22 -0.39 0.00 -1.54 1.20 0.00 0.00 173.24 172.74