#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 0.67 -3.62 0.00 -0.04 -1.26 -4.72 135.00 126.03 7i1b n PRO 2 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 7i1b n PRO 2 Cb 0.00 -1.16 -0.04 0.00 -0.04 0.00 0.00 33.50 32.25 7i1b n PRO 2 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 7i1b n VAL 3 N 1.08 0.00 -3.67 0.52 0.24 -1.26 -4.83 118.33 110.40 7i1b n VAL 3 Ca 0.00 -1.66 -0.18 0.00 -2.04 0.00 0.00 64.34 60.46 7i1b n VAL 3 Cb 0.34 0.92 -0.16 0.00 -1.47 0.00 0.00 33.84 33.46 7i1b n VAL 3 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 7i1b s ARG 4 N -2.84 -0.01 0.72 7.34 0.52 -1.26 -5.05 118.95 118.37 7i1b s ARG 4 Ca 0.27 0.48 -0.07 0.00 -0.52 0.00 0.00 55.73 55.89 7i1b s ARG 4 Cb 0.00 -0.35 0.07 0.00 0.52 0.00 0.00 34.95 35.19 7i1b s ARG 4 CO 0.19 -0.31 1.04 -1.12 0.02 0.00 0.00 175.30 175.12 7i1b s SER 5 N 2.18 4.74 -0.28 0.23 0.01 -1.26 -2.29 113.70 117.04 7i1b s SER 5 Ca 0.03 0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.77 7i1b s SER 5 Cb -0.12 -1.10 0.16 0.00 0.21 0.00 0.00 66.02 65.18 7i1b s SER 5 CO -0.05 -1.66 0.47 -0.22 0.41 0.00 0.00 173.24 172.20 7i1b s LEU 6 N -5.30 -1.01 -0.08 2.44 2.96 0.77 -4.88 118.68 113.58 7i1b s LEU 6 Ca 0.61 0.23 -0.30 0.00 -0.22 0.00 0.00 54.13 54.45 7i1b s LEU 6 Cb -0.11 1.51 -0.03 0.00 0.50 0.00 0.00 46.19 48.07 7i1b s LEU 6 CO 0.45 -0.30 1.24 0.20 -1.32 0.00 0.00 176.35 176.62 7i1b s ASN 7 N 2.67 7.00 -0.04 3.68 0.02 -1.26 -0.01 114.94 126.99 7i1b s ASN 7 Ca 0.14 1.81 -0.29 0.00 -1.02 0.00 0.00 52.86 53.50 7i1b s ASN 7 Cb -0.14 -2.55 0.09 0.00 0.02 0.00 0.00 41.25 38.67 7i1b s ASN 7 CO -0.22 -0.65 0.78 0.00 0.02 0.00 0.00 177.10 177.03 7i1b s THR 9 N -1.81 2.23 0.01 0.00 -4.23 -0.97 -2.08 115.64 108.78 7i1b s THR 9 Ca -0.05 -0.87 0.04 0.00 -1.18 0.00 0.00 61.69 59.63 7i1b s THR 9 Cb -0.00 -2.35 -0.01 0.00 1.34 0.00 0.00 72.50 71.47 7i1b s THR 9 CO 0.02 0.00 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.21 7i1b s LEU 10 N -4.78 2.08 -0.01 4.79 1.43 -1.26 -2.27 118.68 118.65 7i1b s LEU 10 Ca 0.62 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 7i1b s LEU 10 Cb -0.06 -0.60 0.02 0.00 0.03 0.00 0.00 46.19 45.57 7i1b s LEU 10 CO 0.40 0.10 0.01 -0.13 0.23 0.00 0.00 176.35 176.96 7i1b s ARG 11 N -0.58 0.06 1.09 1.70 0.52 -0.43 -3.79 118.95 117.52 7i1b s ARG 11 Ca 0.03 0.08 -0.16 0.00 -0.52 0.00 0.00 55.73 55.16 7i1b s ARG 11 Cb -0.06 -0.22 0.24 0.00 0.52 0.00 0.00 34.95 35.43 7i1b s ARG 11 CO 0.00 -0.09 1.13 0.16 0.02 0.00 0.00 175.30 176.52 7i1b s ASP 12 N 0.64 1.86 0.00 0.23 -4.77 -0.52 -0.73 116.67 113.38 7i1b s ASP 12 Ca -0.06 0.77 0.22 0.00 -3.30 0.00 0.00 52.55 50.18 7i1b s ASP 12 Cb -0.08 -1.14 1.01 0.00 -1.09 0.00 0.00 42.92 41.62 7i1b s ASP 12 CO -0.02 -3.56 1.70 -1.54 0.70 0.00 0.00 175.17 172.46 7i1b n SER 13 N -4.40 0.00 -0.76 2.11 3.41 -1.26 -2.46 113.62 110.26 7i1b n SER 13 Ca 0.10 0.26 0.12 0.00 -0.26 0.00 0.00 58.87 59.10 7i1b n SER 13 Cb 0.59 -0.40 0.31 0.00 -0.26 0.00 0.00 64.21 64.44 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 -1.40 2.03 -1.72 4.33 -0.06 -1.26 -4.95 117.38 114.35 7i1b n GLN 14 Ca 0.08 -1.52 0.00 0.00 -2.00 0.00 0.00 57.00 53.56 7i1b n GLN 14 Cb 0.22 -1.47 0.00 0.00 -4.06 0.00 0.00 30.24 24.93 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 0.81 0.00 -4.09 3.69 7.27 -1.03 -5.09 117.38 118.93 7i1b n GLN 15 Ca 0.17 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 57.13 7i1b n GLN 15 Cb 0.47 -1.95 -0.11 0.00 2.41 0.00 0.00 30.24 31.07 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 -3.45 0.62 0.43 3.69 1.02 -1.26 -4.84 119.74 115.95 7i1b s LYS 16 Ca 0.00 -1.01 0.07 0.00 0.02 0.00 0.00 55.97 55.05 7i1b s LYS 16 Cb 0.00 -0.14 -0.03 0.00 -0.52 0.00 0.00 37.83 37.14 7i1b s LYS 16 CO 0.00 -0.01 0.26 -1.12 -0.92 0.00 0.00 175.35 173.56 7i1b s SER 17 N -2.29 4.64 -0.04 2.83 0.01 -0.97 -1.44 113.70 116.44 7i1b s SER 17 Ca -0.00 -1.00 -0.04 0.00 1.31 0.00 0.00 55.95 56.22 7i1b s SER 17 Cb -0.02 -0.40 -0.04 0.00 0.21 0.00 0.00 66.02 65.77 7i1b s SER 17 CO -0.03 -0.64 0.16 -0.76 0.41 0.00 0.00 173.24 172.38 7i1b s LEU 18 N -4.01 4.34 -0.02 2.44 1.43 -1.25 -2.20 118.68 119.40 7i1b s LEU 18 Ca 0.42 0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.90 7i1b s LEU 18 Cb 0.01 -2.46 0.01 0.00 0.03 0.00 0.00 46.19 43.78 7i1b s LEU 18 CO 0.24 0.30 -0.06 0.68 0.23 0.00 0.00 176.35 177.74 7i1b s VAL 19 N -1.24 0.53 -1.07 -1.59 -7.23 0.97 -2.58 120.40 108.18 7i1b s VAL 19 Ca 0.24 -0.23 -0.22 0.00 -1.81 0.00 0.00 61.98 59.96 7i1b s VAL 19 Cb -0.12 -0.49 0.01 0.00 0.56 0.00 0.00 36.38 36.34 7i1b s VAL 19 CO 0.15 0.18 1.71 0.00 -0.31 0.00 0.00 175.10 176.82 7i1b s MET 20 N 0.24 3.25 0.00 4.82 0.23 -1.26 0.11 119.30 126.69 7i1b s MET 20 Ca -0.03 -1.10 0.22 0.00 -1.03 0.00 0.00 55.69 53.75 7i1b s MET 20 Cb -0.07 -5.31 1.02 0.00 -1.53 0.00 0.00 34.83 28.95 7i1b s MET 20 CO -0.00 -2.77 1.70 0.45 -2.03 0.00 0.00 175.02 172.37 7i1b n SER 21 N 10.87 0.00 -3.30 -1.18 2.88 -1.00 -4.85 113.62 117.03 7i1b n SER 21 Ca 0.40 0.22 -0.06 0.00 -1.33 0.00 0.00 58.87 58.10 7i1b n SER 21 Cb 0.48 -0.39 0.01 0.00 -0.75 0.00 0.00 64.21 63.57 7i1b n SER 21 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 7i1b s GLY 22 N -2.77 0.15 0.04 0.46 0.00 -0.52 -4.98 107.32 99.69 7i1b s GLY 22 Ca 0.16 -0.44 -0.24 0.00 0.00 0.00 0.00 44.72 44.20 7i1b s GLY 22 CO 0.36 0.61 1.36 -2.55 0.00 0.00 0.00 173.10 172.88 7i1b h PRO 23 N 2.00 -0.76 -0.79 2.90 0.11 -2.02 -3.18 132.00 130.26 7i1b h PRO 23 Ca -0.28 0.05 -0.47 0.00 0.11 0.00 0.00 66.00 65.41 7i1b h PRO 23 Cb 1.24 0.17 -0.26 0.00 0.11 0.00 0.00 31.00 32.26 7i1b h PRO 23 CO 0.35 -0.51 0.35 0.66 -0.21 0.00 0.00 178.00 178.64 7i1b n TYR 24 N -4.34 2.54 -3.73 0.65 4.01 -1.26 -4.92 117.16 110.10 7i1b n TYR 24 Ca -0.10 -2.15 -0.14 0.00 -0.16 0.00 0.00 57.90 55.35 7i1b n TYR 24 Cb 0.33 -0.90 -0.15 0.00 -0.31 0.00 0.00 39.34 38.31 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 -3.47 0.09 0.25 -0.72 2.02 -1.20 -4.56 118.70 111.11 7i1b s GLU 25 Ca 0.55 0.43 0.11 0.00 0.02 0.00 0.00 54.97 56.08 7i1b s GLU 25 Cb 0.46 -0.19 -0.05 0.00 0.10 0.00 0.00 34.13 34.45 7i1b s GLU 25 CO 0.04 -0.20 -0.13 -0.51 0.02 0.00 0.00 175.26 174.48 7i1b s LEU 26 N 1.43 2.81 -0.01 1.80 1.43 -1.26 -1.44 118.68 123.44 7i1b s LEU 26 Ca -0.07 -0.81 0.01 0.00 -1.03 0.00 0.00 54.13 52.23 7i1b s LEU 26 Cb -0.12 -1.39 0.00 0.00 0.03 0.00 0.00 46.19 44.72 7i1b s LEU 26 CO -0.06 0.05 -0.03 -0.54 0.23 0.00 0.00 176.35 176.00 7i1b s LYS 27 N -3.32 0.27 -0.23 1.70 1.02 0.12 -2.44 119.74 116.86 7i1b s LYS 27 Ca 0.28 -0.08 -0.08 0.00 0.02 0.00 0.00 55.97 56.11 7i1b s LYS 27 Cb -0.06 -0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 36.92 7i1b s LYS 27 CO 0.16 0.03 0.10 0.00 -0.92 0.00 0.00 175.35 174.72 7i1b s ALA 28 N 0.11 3.34 0.35 5.17 0.00 -1.10 -0.02 121.76 129.61 7i1b s ALA 28 Ca -0.01 -0.98 -0.17 0.00 0.00 0.00 0.00 51.96 50.80 7i1b s ALA 28 Cb -0.03 -2.12 0.06 0.00 0.00 0.00 0.00 23.12 21.02 7i1b s ALA 28 CO -0.00 -0.26 0.83 -0.48 0.00 0.00 0.00 175.76 175.85 7i1b s LEU 29 N 1.19 -0.01 -1.06 0.00 0.05 -0.94 -4.00 118.68 113.92 7i1b s LEU 29 Ca 0.05 -1.05 -0.22 0.00 0.05 0.00 0.00 54.13 52.96 7i1b s LEU 29 Cb -0.14 2.72 0.02 0.00 -2.05 0.00 0.00 46.19 46.73 7i1b s LEU 29 CO 0.04 -1.56 1.66 -1.00 -0.55 0.00 0.00 176.35 174.95 7i1b s HIS 30 N -2.35 2.36 -0.08 3.48 3.76 -1.26 -2.30 115.29 118.90 7i1b s HIS 30 Ca 0.16 -0.53 -0.28 0.00 -0.15 0.00 0.00 55.06 54.26 7i1b s HIS 30 Cb -0.05 -4.50 -0.02 0.00 1.11 0.00 0.00 32.58 29.13 7i1b s HIS 30 CO 0.10 -1.80 0.94 -1.17 -0.85 0.00 0.00 174.74 171.96 7i1b s LEU 31 N 6.57 4.28 0.09 0.89 2.96 -1.26 -5.01 118.68 127.20 7i1b s LEU 31 Ca 0.55 1.49 -0.26 0.00 -0.22 0.00 0.00 54.13 55.69 7i1b s LEU 31 Cb -0.01 -3.47 0.07 0.00 0.50 0.00 0.00 46.19 43.28 7i1b s LEU 31 CO -0.02 -0.35 0.63 -1.58 -1.32 0.00 0.00 176.35 173.71 7i1b s GLN 32 N 1.59 1.20 1.27 1.98 0.74 -1.26 -4.90 119.66 120.29 7i1b s GLN 32 Ca 0.47 -0.21 0.00 0.00 0.05 0.00 0.00 55.36 55.66 7i1b s GLN 32 Cb -0.19 0.56 0.00 0.00 1.10 0.00 0.00 33.01 34.48 7i1b s GLN 32 CO 0.20 -0.48 0.00 0.41 -0.55 0.00 0.00 175.29 174.87 7i1b n GLY 33 N 0.07 -1.75 0.42 2.59 0.00 -1.26 -3.91 105.19 101.35 7i1b n GLY 33 Ca -0.18 -1.50 0.22 0.00 0.00 0.00 0.00 46.02 44.57 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 0.20 0.00 1.61 3.07 -2.05 0.47 115.11 118.41 7i1b h GLN 34 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.73 7i1b h GLN 34 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 27.51 7i1b h GLN 34 CO 0.00 0.13 0.00 -3.47 0.09 0.00 0.00 178.83 175.58 7i1b n ASP 35 N -4.41 0.00 -0.16 0.06 -0.08 -1.25 -2.32 116.55 108.39 7i1b n ASP 35 Ca 0.17 0.12 -0.08 0.00 -1.51 0.00 0.00 54.79 53.50 7i1b n ASP 35 Cb 0.76 -0.12 0.01 0.00 2.34 0.00 0.00 41.12 44.11 7i1b n ASP 35 CO 0.00 0.00 0.00 -0.03 0.12 0.00 0.00 177.20 177.29 7i1b h MET 36 N 0.00 0.66 0.00 -0.67 1.85 -0.25 -1.65 114.93 114.87 7i1b h MET 36 Ca 0.00 -0.08 0.00 0.00 -0.61 0.00 0.00 59.70 59.01 7i1b h MET 36 Cb 0.00 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 31.90 7i1b h MET 36 CO 0.00 0.53 0.38 -0.85 -0.40 0.00 0.00 176.91 176.57 7i1b n GLU 37 N -4.67 0.05 -0.59 0.39 0.28 -0.98 0.19 120.64 115.31 7i1b n GLU 37 Ca 0.02 0.45 -0.08 0.00 -0.16 0.00 0.00 57.16 57.38 7i1b n GLU 37 Cb 0.09 -2.04 0.12 0.00 1.43 0.00 0.00 31.44 31.04 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 -1.76 2.01 -3.11 3.44 6.02 -0.62 -4.88 117.38 118.48 7i1b n GLN 38 Ca -0.00 -1.57 -0.39 0.00 -0.01 0.00 0.00 57.00 55.02 7i1b n GLN 38 Cb 0.39 -1.68 -0.05 0.00 1.02 0.00 0.00 30.24 29.92 7i1b n GLN 38 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 7i1b s GLN 39 N -1.75 4.40 0.67 -1.09 -2.07 0.13 -4.22 119.66 115.72 7i1b s GLN 39 Ca 0.29 0.82 -0.10 0.00 -1.82 0.00 0.00 55.36 54.55 7i1b s GLN 39 Cb 0.24 -3.41 0.00 0.00 -1.09 0.00 0.00 33.01 28.76 7i1b s GLN 39 CO 0.06 0.19 1.04 0.08 -1.32 0.00 0.00 175.29 175.34 7i1b s VAL 40 N 0.40 3.72 -0.10 3.63 1.01 -1.07 -4.96 120.40 123.04 7i1b s VAL 40 Ca 0.35 0.44 -0.03 0.00 0.00 0.00 0.00 61.98 62.73 7i1b s VAL 40 Cb -0.18 -3.54 0.05 0.00 0.00 0.00 0.00 36.38 32.72 7i1b s VAL 40 CO 0.18 -0.67 0.15 -0.69 0.00 0.00 0.00 175.10 174.06 7i1b s VAL 41 N -3.25 -0.23 -0.13 2.92 1.01 -1.26 -4.73 120.40 114.73 7i1b s VAL 41 Ca 0.57 0.26 -0.06 0.00 0.00 0.00 0.00 61.98 62.75 7i1b s VAL 41 Cb -0.11 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 7i1b s VAL 41 CO 0.51 0.07 0.10 -0.36 0.00 0.00 0.00 175.10 175.41 7i1b s PHE 42 N 2.27 3.43 -0.83 5.22 0.40 -0.88 -2.45 117.98 125.14 7i1b s PHE 42 Ca 0.04 0.37 -0.16 0.00 -0.60 0.00 0.00 56.93 56.57 7i1b s PHE 42 Cb -0.13 -1.95 0.17 0.00 0.51 0.00 0.00 43.02 41.63 7i1b s PHE 42 CO -0.06 0.55 0.88 0.45 0.70 0.00 0.00 175.22 177.74 7i1b s SER 43 N -0.66 6.63 0.53 1.36 0.15 0.13 -1.88 113.70 119.96 7i1b s SER 43 Ca 0.12 -2.28 -0.20 0.00 0.70 0.00 0.00 55.95 54.29 7i1b s SER 43 Cb -0.12 -2.29 -0.06 0.00 -1.71 0.00 0.00 66.02 61.84 7i1b s SER 43 CO 0.02 -0.82 1.15 -0.32 1.20 0.00 0.00 173.24 174.47 7i1b s MET 44 N 1.41 3.41 -0.04 5.44 1.75 0.99 -2.52 119.30 129.74 7i1b s MET 44 Ca 0.22 1.68 -0.02 0.00 -1.25 0.00 0.00 55.69 56.32 7i1b s MET 44 Cb -0.10 -2.09 0.03 0.00 2.84 0.00 0.00 34.83 35.51 7i1b s MET 44 CO -0.07 -0.82 0.07 -1.12 -0.65 0.00 0.00 175.02 172.43 7i1b s SER 45 N -1.65 0.56 -0.47 1.11 0.01 -0.51 0.27 113.70 113.02 7i1b s SER 45 Ca 0.71 0.12 -0.28 0.00 1.31 0.00 0.00 55.95 57.81 7i1b s SER 45 Cb -0.26 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 65.95 7i1b s SER 45 CO 0.29 -0.19 1.56 -0.36 0.41 0.00 0.00 173.24 174.95 7i1b s PHE 46 N 1.67 2.12 0.18 2.43 0.08 -0.97 -0.82 117.98 122.68 7i1b s PHE 46 Ca -0.02 0.61 0.03 0.00 0.12 0.00 0.00 56.93 57.67 7i1b s PHE 46 Cb -0.12 -4.27 0.03 0.00 -0.57 0.00 0.00 43.02 38.09 7i1b s PHE 46 CO -0.04 -2.24 0.24 1.33 -0.10 0.00 0.00 175.22 174.41 7i1b n VAL 47 N 7.10 0.00 -4.04 -0.44 0.24 -0.98 -4.33 118.33 115.88 7i1b n VAL 47 Ca 0.17 -0.63 -0.30 0.00 -2.04 0.00 0.00 64.34 61.54 7i1b n VAL 47 Cb 0.49 -0.78 -0.06 0.00 -1.47 0.00 0.00 33.84 32.01 7i1b n VAL 47 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 7i1b s GLN 48 N -2.82 2.92 0.00 7.34 0.74 0.26 -4.76 119.66 123.34 7i1b s GLN 48 Ca 0.18 -0.68 0.00 0.00 0.05 0.00 0.00 55.36 54.91 7i1b s GLN 48 Cb -0.01 -2.75 0.00 0.00 1.10 0.00 0.00 33.01 31.35 7i1b s GLN 48 CO 0.12 0.57 0.00 0.41 -0.55 0.00 0.00 175.29 175.83 7i1b n GLY 49 N 0.41 -1.06 3.57 2.59 0.00 -1.26 -4.44 105.19 105.00 7i1b n GLY 49 Ca -0.08 -1.11 -0.17 0.00 0.00 0.00 0.00 46.02 44.66 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 0.10 -3.06 1.61 4.71 -1.26 -4.86 120.64 117.88 7i1b n GLU 50 Ca 0.00 -1.65 -0.18 0.00 -0.01 0.00 0.00 57.16 55.32 7i1b n GLU 50 Cb 0.00 -3.81 0.01 0.00 -1.01 0.00 0.00 31.44 26.63 7i1b n GLU 50 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 7i1b s GLU 51 N 8.39 2.86 0.00 3.49 -1.05 -1.26 -4.81 118.70 126.33 7i1b s GLU 51 Ca 0.81 -1.17 0.00 0.00 -0.15 0.00 0.00 54.97 54.45 7i1b s GLU 51 Cb -0.03 -2.75 0.00 0.00 -0.44 0.00 0.00 34.13 30.91 7i1b s GLU 51 CO 0.20 -0.24 0.00 0.45 0.95 0.00 0.00 175.26 176.62 7i1b n SER 52 N -1.85 3.58 0.08 0.83 2.88 -1.08 -4.98 113.62 113.09 7i1b n SER 52 Ca 0.07 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.69 7i1b n SER 52 Cb 0.59 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.02 7i1b n SER 52 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 7i1b n ASN 53 N 0.00 0.83 0.01 -3.46 2.85 -1.26 -4.63 115.26 109.60 7i1b n ASN 53 Ca 0.00 0.33 0.00 0.00 -0.11 0.00 0.00 54.58 54.80 7i1b n ASN 53 Cb 0.00 0.40 0.00 0.00 1.24 0.00 0.00 39.78 41.42 7i1b n ASN 53 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 7i1b n ASP 54 N -2.73 0.15 -4.63 1.20 9.92 -1.26 -4.99 116.55 114.22 7i1b n ASP 54 Ca -0.03 0.02 -0.43 0.00 -0.53 0.00 0.00 54.79 53.83 7i1b n ASP 54 Cb 0.63 -0.04 -0.03 0.00 -0.64 0.00 0.00 41.12 41.03 7i1b n ASP 54 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 7i1b s LYS 55 N -2.00 3.58 -0.64 -1.24 1.02 -1.26 -4.57 119.74 114.63 7i1b s LYS 55 Ca 0.00 2.29 0.02 0.00 0.02 0.00 0.00 55.97 58.30 7i1b s LYS 55 Cb 0.00 -4.28 0.16 0.00 -0.52 0.00 0.00 37.83 33.19 7i1b s LYS 55 CO 0.00 -1.59 0.43 0.42 -0.92 0.00 0.00 175.35 173.68 7i1b s ILE 56 N 6.59 3.17 0.16 2.17 1.01 -0.99 -2.63 121.20 130.68 7i1b s ILE 56 Ca 0.95 -3.55 -0.31 0.00 0.00 0.00 0.00 60.65 57.74 7i1b s ILE 56 Cb -0.37 -3.09 -0.11 0.00 0.01 0.00 0.00 42.46 38.89 7i1b s ILE 56 CO 0.38 -0.91 1.79 -2.84 0.00 0.00 0.00 174.94 173.37 7i1b s PRO 57 N -0.67 4.13 0.00 2.79 0.02 -1.26 -2.19 135.00 137.82 7i1b s PRO 57 Ca 0.20 2.61 0.00 0.00 0.02 0.00 0.00 61.00 63.84 7i1b s PRO 57 Cb -0.17 -3.37 0.00 0.00 0.02 0.00 0.00 34.50 30.98 7i1b s PRO 57 CO -0.06 -0.81 0.00 1.33 -0.33 0.00 0.00 177.00 177.12 7i1b n VAL 58 N 4.42 0.00 -3.62 3.83 0.24 -0.99 -2.33 118.33 119.89 7i1b n VAL 58 Ca 0.17 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.31 7i1b n VAL 58 Cb 0.37 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.60 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 -2.00 -0.29 -0.49 2.33 0.00 0.00 -2.45 121.76 118.86 7i1b s ALA 59 Ca 0.00 0.56 -0.21 0.00 0.00 0.00 0.00 51.96 52.31 7i1b s ALA 59 Cb 0.00 -1.02 0.04 0.00 0.00 0.00 0.00 23.12 22.14 7i1b s ALA 59 CO 0.00 -0.78 0.73 -0.51 0.00 0.00 0.00 175.76 175.20 7i1b s LEU 60 N 2.34 4.52 -0.16 0.00 1.43 -1.26 -1.42 118.68 124.12 7i1b s LEU 60 Ca 0.04 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 7i1b s LEU 60 Cb -0.13 -2.70 0.02 0.00 0.03 0.00 0.00 46.19 43.41 7i1b s LEU 60 CO -0.08 -0.94 -0.18 -0.83 0.23 0.00 0.00 176.35 174.55 7i1b s GLY 61 N 2.43 1.28 -0.27 -3.19 0.00 -1.05 -2.66 107.32 103.86 7i1b s GLY 61 Ca 0.23 -1.08 -0.41 0.00 0.00 0.00 0.00 44.72 43.47 7i1b s GLY 61 CO 0.17 0.32 1.69 1.04 0.00 0.00 0.00 173.10 176.33 7i1b n LEU 62 N 4.58 2.18 -0.16 0.66 4.77 -0.93 0.17 117.00 128.28 7i1b n LEU 62 Ca -0.19 1.09 -0.05 0.00 -0.03 0.00 0.00 56.01 56.83 7i1b n LEU 62 Cb 0.50 -1.11 0.04 0.00 -2.33 0.00 0.00 43.42 40.52 7i1b n LEU 62 CO 0.25 -0.54 1.02 0.50 -1.33 0.00 0.00 177.39 177.29 7i1b h LYS 63 N 6.74 0.48 0.36 3.23 3.64 -1.78 -3.12 116.57 126.11 7i1b h LYS 63 Ca -0.46 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 7i1b h LYS 63 Cb 1.33 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 7i1b h LYS 63 CO 0.95 0.32 -0.17 0.93 -2.27 0.00 0.00 179.45 179.20 7i1b h GLU 64 N 0.49 -0.47 -6.20 1.90 5.08 -1.88 -3.45 114.58 110.07 7i1b h GLU 64 Ca 0.21 0.03 -0.66 0.00 -1.00 0.00 0.00 59.36 57.95 7i1b h GLU 64 Cb 0.11 0.11 -0.12 0.00 0.50 0.00 0.00 28.75 29.35 7i1b h GLU 64 CO -0.14 -0.15 -0.63 0.15 -1.00 0.00 0.00 179.01 177.23 7i1b s LYS 65 N -4.55 2.76 0.00 2.33 -0.14 -1.18 -4.98 119.74 113.99 7i1b s LYS 65 Ca -0.14 -0.68 0.00 0.00 -1.36 0.00 0.00 55.97 53.79 7i1b s LYS 65 Cb 0.02 -2.66 0.00 0.00 -1.68 0.00 0.00 37.83 33.51 7i1b s LYS 65 CO 0.51 0.59 1.46 0.27 -0.76 0.00 0.00 175.35 177.42 7i1b n ASN 66 N 0.97 3.93 -4.52 2.83 0.23 -1.26 -3.69 115.26 113.75 7i1b n ASN 66 Ca -0.12 -2.03 -0.43 0.00 -0.53 0.00 0.00 54.58 51.47 7i1b n ASN 66 Cb 0.52 -0.82 -0.07 0.00 -2.08 0.00 0.00 39.78 37.33 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 0.00 4.48 -0.18 -4.53 1.43 -1.26 -2.65 118.68 115.97 7i1b s LEU 67 Ca 0.00 -0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 52.68 7i1b s LEU 67 Cb 0.00 -2.71 -0.05 0.00 0.03 0.00 0.00 46.19 43.46 7i1b s LEU 67 CO 0.00 -0.74 0.28 -0.31 0.23 0.00 0.00 176.35 175.81 7i1b s TYR 68 N 2.76 3.42 0.65 0.29 1.51 -0.03 -2.19 117.35 123.76 7i1b s TYR 68 Ca 0.22 0.52 -0.18 0.00 -1.01 0.00 0.00 57.07 56.63 7i1b s TYR 68 Cb -0.14 -2.34 -0.02 0.00 -0.11 0.00 0.00 41.96 39.34 7i1b s TYR 68 CO 0.18 0.18 1.13 1.28 -1.11 0.00 0.00 175.55 177.21 7i1b n LEU 69 N 3.81 4.87 -3.71 -1.29 4.77 -1.09 -2.19 117.00 122.16 7i1b n LEU 69 Ca -0.12 0.79 -0.14 0.00 -0.03 0.00 0.00 56.01 56.51 7i1b n LEU 69 Cb 0.52 -1.48 -0.09 0.00 -2.33 0.00 0.00 43.42 40.04 7i1b n LEU 69 CO 0.39 -1.47 0.13 -0.94 -1.33 0.00 0.00 177.39 174.17 7i1b s SER 70 N -1.38 -0.41 -0.22 -1.43 1.04 0.26 -4.45 113.70 107.10 7i1b s SER 70 Ca 0.79 0.66 -0.11 0.00 0.48 0.00 0.00 55.95 57.77 7i1b s SER 70 Cb -0.39 0.71 -0.05 0.00 0.10 0.00 0.00 66.02 66.39 7i1b s SER 70 CO 0.44 -0.28 0.16 0.00 0.98 0.00 0.00 173.24 174.54 7i1b s VAL 72 N 0.78 0.16 0.20 0.00 -7.23 -0.78 -4.77 120.40 108.76 7i1b s VAL 72 Ca 0.08 -1.32 -0.30 0.00 -1.81 0.00 0.00 61.98 58.63 7i1b s VAL 72 Cb -0.13 -0.94 -0.08 0.00 0.56 0.00 0.00 36.38 35.79 7i1b s VAL 72 CO 0.02 -0.73 0.95 -0.76 -0.31 0.00 0.00 175.10 174.27 7i1b s LEU 73 N -2.23 4.60 -0.63 1.32 1.43 -1.26 -0.91 118.68 120.99 7i1b s LEU 73 Ca -0.04 1.90 0.05 0.00 -1.03 0.00 0.00 54.13 55.01 7i1b s LEU 73 Cb -0.00 -3.60 0.17 0.00 0.03 0.00 0.00 46.19 42.78 7i1b s LEU 73 CO -0.06 0.09 0.45 -0.54 0.23 0.00 0.00 176.35 176.52 7i1b s LYS 74 N -0.81 2.08 0.00 1.70 -0.14 0.86 -4.74 119.74 118.70 7i1b s LYS 74 Ca 0.43 -3.04 0.00 0.00 -1.36 0.00 0.00 55.97 52.00 7i1b s LYS 74 Cb -0.25 -2.94 0.00 0.00 -1.68 0.00 0.00 37.83 32.96 7i1b s LYS 74 CO 0.31 -1.31 0.00 -0.25 -0.76 0.00 0.00 175.35 173.35 7i1b n ASP 75 N 2.20 -1.74 0.00 2.83 8.00 -1.26 -3.58 116.55 123.00 7i1b n ASP 75 Ca 0.22 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.72 7i1b n ASP 75 Cb 0.38 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 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 -0.05 -3.49 -4.15 -2.24 8.00 -1.26 -4.98 116.55 108.38 7i1b n ASP 76 Ca 0.00 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.17 7i1b n ASP 76 Cb 0.44 -1.82 -0.15 0.00 -0.02 0.00 0.00 41.12 39.57 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 -0.88 2.81 0.58 -1.24 2.20 -1.24 -5.08 119.74 116.90 7i1b s LYS 77 Ca 0.00 -0.97 -0.19 0.00 -0.36 0.00 0.00 55.97 54.45 7i1b s LYS 77 Cb 0.00 -2.81 -0.07 0.00 -1.51 0.00 0.00 37.83 33.45 7i1b s LYS 77 CO 0.00 -0.35 0.81 -2.30 -0.36 0.00 0.00 175.35 173.15 7i1b n PRO 78 N 4.61 0.79 -3.88 4.03 -0.02 -1.26 -0.10 135.00 139.17 7i1b n PRO 78 Ca -0.18 0.30 -0.08 0.00 -2.02 0.00 0.00 63.50 61.52 7i1b n PRO 78 Cb 0.47 -1.99 -0.04 0.00 -0.02 0.00 0.00 33.50 31.93 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 -1.57 0.01 -0.10 3.45 2.01 -0.09 -4.74 115.64 114.61 7i1b s THR 79 Ca 0.72 -1.11 -0.03 0.00 0.31 0.00 0.00 61.69 61.59 7i1b s THR 79 Cb -0.44 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 7i1b s THR 79 CO 0.50 -0.03 0.03 -0.22 -0.69 0.00 0.00 174.62 174.21 7i1b s LEU 80 N -2.95 3.73 0.05 4.42 2.96 -1.26 -1.87 118.68 123.76 7i1b s LEU 80 Ca 0.15 0.19 -0.22 0.00 -0.22 0.00 0.00 54.13 54.04 7i1b s LEU 80 Cb -0.03 -1.87 0.05 0.00 0.50 0.00 0.00 46.19 44.85 7i1b s LEU 80 CO 0.05 0.37 0.50 -1.58 -1.32 0.00 0.00 176.35 174.37 7i1b s GLN 81 N -0.82 1.03 0.02 1.98 0.74 0.38 -4.82 119.66 118.17 7i1b s GLN 81 Ca 0.13 -0.27 -0.04 0.00 0.05 0.00 0.00 55.36 55.22 7i1b s GLN 81 Cb -0.12 0.47 -0.04 0.00 1.10 0.00 0.00 33.01 34.42 7i1b s GLN 81 CO 0.02 -0.37 0.24 -0.51 -0.55 0.00 0.00 175.29 174.13 7i1b s LEU 82 N -2.02 4.36 -0.07 3.68 1.43 -1.26 0.91 118.68 125.70 7i1b s LEU 82 Ca -0.05 0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 53.44 7i1b s LEU 82 Cb -0.01 -2.75 0.02 0.00 0.03 0.00 0.00 46.19 43.48 7i1b s LEU 82 CO -0.02 0.23 0.19 -0.70 0.23 0.00 0.00 176.35 176.28 7i1b s GLU 83 N -2.00 0.22 -0.24 1.70 2.12 -0.93 -4.91 118.70 114.66 7i1b s GLU 83 Ca 0.30 0.28 -0.27 0.00 0.36 0.00 0.00 54.97 55.64 7i1b s GLU 83 Cb -0.13 0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.35 7i1b s GLU 83 CO 0.19 -0.04 0.93 -1.12 -0.54 0.00 0.00 175.26 174.69 7i1b s SER 84 N 0.18 6.96 0.00 -1.70 0.01 -1.26 -0.85 113.70 117.03 7i1b s SER 84 Ca -0.01 1.19 0.00 0.00 1.31 0.00 0.00 55.95 58.44 7i1b s SER 84 Cb -0.02 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.72 7i1b s SER 84 CO -0.00 -0.59 0.00 1.33 0.41 0.00 0.00 173.24 174.38 7i1b n VAL 85 N 5.30 0.00 -2.92 3.43 0.24 -1.08 -4.97 118.33 118.32 7i1b n VAL 85 Ca 0.09 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.96 7i1b n VAL 85 Cb 0.47 -0.87 -0.05 0.00 -1.47 0.00 0.00 33.84 31.92 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 -0.81 6.58 0.00 -1.34 -1.08 -1.26 -4.90 116.67 113.86 7i1b s ASP 86 Ca 0.00 0.41 0.06 0.00 -0.52 0.00 0.00 52.55 52.50 7i1b s ASP 86 Cb 0.00 -2.41 0.28 0.00 -1.46 0.00 0.00 42.92 39.33 7i1b s ASP 86 CO 0.00 -0.76 1.10 -0.81 0.52 0.00 0.00 175.17 175.22 7i1b n PRO 87 N 6.49 0.05 -0.10 4.34 -0.04 -1.26 -2.03 135.00 142.44 7i1b n PRO 87 Ca 0.04 0.30 -0.18 0.00 -0.04 0.00 0.00 63.50 63.62 7i1b n PRO 87 Cb 0.48 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.36 7i1b n PRO 87 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 7i1b n LYS 88 N -1.38 0.49 -0.05 0.54 5.02 -1.26 -4.48 118.16 117.04 7i1b n LYS 88 Ca 0.02 0.16 0.08 0.00 -2.02 0.00 0.00 58.31 56.54 7i1b n LYS 88 Cb 0.06 -1.34 0.35 0.00 -0.02 0.00 0.00 35.03 34.07 7i1b n LYS 88 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 7i1b n ASN 89 N -3.49 0.81 -4.09 4.39 5.03 -1.13 -4.82 115.26 111.95 7i1b n ASN 89 Ca -0.39 -1.69 -0.14 0.00 0.87 0.00 0.00 54.58 53.23 7i1b n ASN 89 Cb 0.85 -0.07 -0.11 0.00 -1.02 0.00 0.00 39.78 39.43 7i1b n ASN 89 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 7i1b s TYR 90 N -1.86 0.80 0.14 3.10 2.02 -0.86 -3.69 117.35 116.99 7i1b s TYR 90 Ca 0.24 -0.53 -0.30 0.00 -0.37 0.00 0.00 57.07 56.11 7i1b s TYR 90 Cb 0.12 -0.47 -0.07 0.00 -0.40 0.00 0.00 41.96 41.15 7i1b s TYR 90 CO 0.19 -0.06 1.10 -1.25 -1.57 0.00 0.00 175.55 173.96 7i1b s PRO 91 N -1.84 4.57 0.09 -1.71 0.04 -1.26 -4.77 135.00 130.13 7i1b s PRO 91 Ca -0.06 1.69 -0.06 0.00 0.04 0.00 0.00 61.00 62.61 7i1b s PRO 91 Cb -0.09 -3.31 -0.05 0.00 0.04 0.00 0.00 34.50 31.10 7i1b s PRO 91 CO 0.00 0.02 0.34 0.21 0.04 0.00 0.00 177.00 177.62 7i1b s LYS 92 N -0.04 3.62 0.28 4.56 2.47 -1.24 -4.97 119.74 124.43 7i1b s LYS 92 Ca 0.51 -0.06 0.02 0.00 -1.56 0.00 0.00 55.97 54.88 7i1b s LYS 92 Cb -0.28 -2.95 0.66 0.00 -1.46 0.00 0.00 37.83 33.80 7i1b s LYS 92 CO 0.33 0.54 1.70 -0.22 0.16 0.00 0.00 175.35 177.86 7i1b h LYS 93 N 3.31 0.39 -5.33 4.03 3.64 -1.92 -3.36 116.57 117.34 7i1b h LYS 93 Ca -0.47 -0.02 -0.63 0.00 -1.27 0.00 0.00 60.65 58.25 7i1b h LYS 93 Cb 1.18 -0.09 -0.18 0.00 -0.41 0.00 0.00 32.23 32.73 7i1b h LYS 93 CO 0.70 0.26 -0.61 0.21 -2.27 0.00 0.00 179.45 177.74 7i1b s LYS 94 N -5.92 3.80 0.13 1.90 2.20 -1.26 -0.57 119.74 120.02 7i1b s LYS 94 Ca -0.12 -0.42 0.09 0.00 -0.36 0.00 0.00 55.97 55.16 7i1b s LYS 94 Cb 0.24 -3.07 -0.04 0.00 -1.51 0.00 0.00 37.83 33.45 7i1b s LYS 94 CO 0.78 0.29 -0.21 -1.64 -0.36 0.00 0.00 175.35 174.21 7i1b s MET 95 N 0.28 1.22 0.86 4.03 -1.94 -1.26 -5.01 119.30 117.50 7i1b s MET 95 Ca 0.01 -1.28 -0.11 0.00 -1.71 0.00 0.00 55.69 52.60 7i1b s MET 95 Cb -0.13 -1.44 0.11 0.00 2.01 0.00 0.00 34.83 35.38 7i1b s MET 95 CO 0.01 0.32 1.10 -2.00 -0.01 0.00 0.00 175.02 174.45 7i1b s GLU 96 N -2.27 1.48 0.37 2.03 2.12 -1.26 -4.74 118.70 116.44 7i1b s GLU 96 Ca 0.11 1.18 0.04 0.00 0.36 0.00 0.00 54.97 56.66 7i1b s GLU 96 Cb -0.08 -1.81 0.70 0.00 0.26 0.00 0.00 34.13 33.20 7i1b s GLU 96 CO 0.06 -2.19 2.00 0.87 -0.54 0.00 0.00 175.26 175.46 7i1b h LYS 97 N -1.53 0.68 -0.37 4.30 1.79 -1.91 -0.82 116.57 118.71 7i1b h LYS 97 Ca -0.46 -0.06 0.01 0.00 -2.18 0.00 0.00 60.65 57.96 7i1b h LYS 97 Cb 1.26 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.75 7i1b h LYS 97 CO 0.49 0.49 0.25 0.07 -1.08 0.00 0.00 179.45 179.67 7i1b h ARG 98 N 0.70 0.46 0.00 3.15 0.11 -1.90 -1.65 114.38 115.24 7i1b h ARG 98 Ca 0.18 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.23 7i1b h ARG 98 Cb -0.00 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 30.97 7i1b h ARG 98 CO -0.03 0.31 -0.93 1.19 0.10 0.00 0.00 179.97 180.61 7i1b n PHE 99 N -4.48 0.30 -3.06 4.08 3.72 -0.68 -2.79 117.46 114.54 7i1b n PHE 99 Ca 0.03 0.09 -0.40 0.00 -0.05 0.00 0.00 57.45 57.12 7i1b n PHE 99 Cb 0.08 -0.45 -0.05 0.00 -0.94 0.00 0.00 39.48 38.12 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 -3.18 5.03 -0.16 -4.37 1.01 -0.40 -4.35 120.40 113.98 7i1b s VAL 100 Ca 0.05 1.42 0.00 0.00 0.00 0.00 0.00 61.98 63.45 7i1b s VAL 100 Cb 0.14 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 32.53 7i1b s VAL 100 CO 0.78 0.27 -0.11 -0.36 0.00 0.00 0.00 175.10 175.69 7i1b s PHE 101 N 0.69 2.04 -0.53 5.22 0.40 -1.03 -2.29 117.98 122.48 7i1b s PHE 101 Ca 0.37 -1.21 -0.27 0.00 -0.60 0.00 0.00 56.93 55.22 7i1b s PHE 101 Cb -0.18 -1.50 -0.01 0.00 0.51 0.00 0.00 43.02 41.84 7i1b s PHE 101 CO 0.18 -0.65 1.71 -0.80 0.70 0.00 0.00 175.22 176.36 7i1b s ASN 102 N 1.53 5.68 -0.62 1.36 0.01 -0.84 -2.34 114.94 119.72 7i1b s ASN 102 Ca 0.03 0.55 -0.28 0.00 -0.71 0.00 0.00 52.86 52.45 7i1b s ASN 102 Cb -0.14 -2.53 0.03 0.00 0.41 0.00 0.00 41.25 39.01 7i1b s ASN 102 CO -0.09 -2.02 1.27 -0.75 -1.51 0.00 0.00 177.10 174.00 7i1b s LYS 103 N 6.25 3.37 0.41 -0.60 2.20 -0.93 -2.59 119.74 127.85 7i1b s LYS 103 Ca 0.66 0.17 0.08 0.00 -0.36 0.00 0.00 55.97 56.51 7i1b s LYS 103 Cb -0.14 -4.09 -0.01 0.00 -1.51 0.00 0.00 37.83 32.08 7i1b s LYS 103 CO 0.25 -1.87 0.44 0.42 -0.36 0.00 0.00 175.35 174.23 7i1b s ILE 104 N 5.45 2.86 -0.14 5.43 1.01 -0.85 -2.34 121.20 132.61 7i1b s ILE 104 Ca 0.43 -1.22 0.00 0.00 0.00 0.00 0.00 60.65 59.86 7i1b s ILE 104 Cb -0.08 -3.02 0.03 0.00 0.01 0.00 0.00 42.46 39.39 7i1b s ILE 104 CO 0.23 -0.01 -0.10 -1.61 0.00 0.00 0.00 174.94 173.44 7i1b s GLU 105 N -4.20 1.90 -0.03 2.79 2.02 -1.26 -2.05 118.70 117.88 7i1b s GLU 105 Ca 0.50 -0.48 -0.01 0.00 0.02 0.00 0.00 54.97 55.00 7i1b s GLU 105 Cb -0.06 -1.95 0.03 0.00 0.10 0.00 0.00 34.13 32.25 7i1b s GLU 105 CO 0.30 -0.29 0.05 0.42 0.02 0.00 0.00 175.26 175.75 7i1b s ILE 106 N 1.57 -0.09 -1.31 -1.63 -1.09 0.26 -4.85 121.20 114.06 7i1b s ILE 106 Ca 0.04 0.32 -0.05 0.00 -2.23 0.00 0.00 60.65 58.73 7i1b s ILE 106 Cb -0.13 -0.12 0.01 0.00 -1.58 0.00 0.00 42.46 40.64 7i1b s ILE 106 CO -0.09 0.13 1.05 -3.20 -1.23 0.00 0.00 174.94 171.60 7i1b n ASN 107 N 4.74 -4.04 -2.38 3.58 5.15 -1.26 -1.34 115.26 119.70 7i1b n ASN 107 Ca -0.16 -0.62 -0.18 0.00 -0.60 0.00 0.00 54.58 53.02 7i1b n ASN 107 Cb 0.50 -4.86 -0.01 0.00 -0.53 0.00 0.00 39.78 34.88 7i1b n ASN 107 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 7i1b n ASN 108 N -3.05 -5.30 -4.23 1.20 4.05 -1.26 -4.95 115.26 101.71 7i1b n ASN 108 Ca -0.13 0.06 -0.13 0.00 0.45 0.00 0.00 54.58 54.83 7i1b n ASN 108 Cb 0.61 -4.45 -0.10 0.00 1.23 0.00 0.00 39.78 37.07 7i1b n ASN 108 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 7i1b s LYS 109 N -4.98 1.09 0.12 1.20 1.02 -0.45 -5.07 119.74 112.67 7i1b s LYS 109 Ca 0.00 -1.52 0.03 0.00 0.02 0.00 0.00 55.97 54.50 7i1b s LYS 109 Cb 0.00 -0.23 -0.04 0.00 -0.52 0.00 0.00 37.83 37.05 7i1b s LYS 109 CO 0.00 -0.14 0.17 -0.51 -0.92 0.00 0.00 175.35 173.95 7i1b s LEU 110 N -3.16 4.04 -0.14 3.17 1.43 -0.12 -0.57 118.68 123.32 7i1b s LEU 110 Ca 0.24 0.05 -0.04 0.00 -1.03 0.00 0.00 54.13 53.34 7i1b s LEU 110 Cb 0.06 -2.65 0.06 0.00 0.03 0.00 0.00 46.19 43.69 7i1b s LEU 110 CO 0.04 0.11 0.12 -1.61 0.23 0.00 0.00 176.35 175.23 7i1b s GLU 111 N -2.86 0.06 -0.48 1.70 2.02 -0.87 -0.68 118.70 117.60 7i1b s GLU 111 Ca 0.32 0.14 -0.21 0.00 0.02 0.00 0.00 54.97 55.24 7i1b s GLU 111 Cb -0.11 -1.28 0.04 0.00 0.10 0.00 0.00 34.13 32.88 7i1b s GLU 111 CO 0.25 -0.56 0.70 -0.06 0.02 0.00 0.00 175.26 175.60 7i1b s PHE 112 N 2.20 3.01 -0.14 1.61 0.08 -1.26 -2.01 117.98 121.48 7i1b s PHE 112 Ca 0.04 -0.17 -0.14 0.00 0.12 0.00 0.00 56.93 56.77 7i1b s PHE 112 Cb -0.15 -3.54 -0.05 0.00 -0.57 0.00 0.00 43.02 38.71 7i1b s PHE 112 CO -0.08 -1.00 0.31 -2.00 -0.10 0.00 0.00 175.22 172.35 7i1b s GLU 113 N 2.98 4.18 -0.24 0.44 2.12 -1.07 -2.24 118.70 124.87 7i1b s GLU 113 Ca 0.22 0.15 -0.28 0.00 0.36 0.00 0.00 54.97 55.42 7i1b s GLU 113 Cb -0.15 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.81 7i1b s GLU 113 CO 0.17 0.31 2.06 0.45 -0.54 0.00 0.00 175.26 177.71 7i1b s SER 114 N 0.24 5.66 0.60 -1.70 0.15 0.10 -1.99 113.70 116.77 7i1b s SER 114 Ca 0.18 1.73 0.27 0.00 0.70 0.00 0.00 55.95 58.83 7i1b s SER 114 Cb -0.13 -2.52 1.47 0.00 -1.71 0.00 0.00 66.02 63.13 7i1b s SER 114 CO 0.05 -1.82 1.81 0.00 1.20 0.00 0.00 173.24 174.48 7i1b h ALA 115 N 14.04 1.30 0.00 5.45 0.00 -1.59 -1.65 119.26 136.81 7i1b h ALA 115 Ca -0.39 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 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 0.98 -0.30 -0.15 0.37 0.00 0.00 0.00 179.25 180.15 7i1b h GLN 116 N 0.00 0.00 -3.74 0.00 4.15 -1.81 -3.42 115.11 110.29 7i1b h GLN 116 Ca 0.00 0.00 -0.69 0.00 0.77 0.00 0.00 58.65 58.73 7i1b h GLN 116 Cb 0.63 0.00 -0.35 0.00 0.21 0.00 0.00 27.48 27.97 7i1b h GLN 116 CO 0.00 0.53 -0.41 -0.06 -1.93 0.00 0.00 178.83 176.97 7i1b s PHE 117 N -1.97 3.43 0.70 3.99 0.08 -0.63 -5.08 117.98 118.51 7i1b s PHE 117 Ca -0.12 -2.68 -0.16 0.00 0.12 0.00 0.00 56.93 54.08 7i1b s PHE 117 Cb -0.01 -3.19 0.01 0.00 -0.57 0.00 0.00 43.02 39.27 7i1b s PHE 117 CO 0.37 -0.86 1.17 -2.30 -0.10 0.00 0.00 175.22 173.51 7i1b n PRO 118 N 3.66 0.73 0.00 0.24 -0.02 -1.20 -2.24 135.00 136.18 7i1b n PRO 118 Ca 0.06 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 7i1b n PRO 118 Cb 0.38 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 -2.10 0.00 -4.33 2.55 3.02 -1.26 -4.99 115.26 108.14 7i1b n ASN 119 Ca 0.15 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.34 7i1b n ASN 119 Cb 0.49 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.52 7i1b n ASN 119 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 7i1b s TRP 120 N -2.71 2.99 0.50 3.10 0.52 -0.95 -4.51 118.94 117.88 7i1b s TRP 120 Ca 0.00 -0.87 0.02 0.00 0.02 0.00 0.00 56.10 55.27 7i1b s TRP 120 Cb 0.00 -2.13 -0.02 0.00 -1.15 0.00 0.00 33.47 30.17 7i1b s TRP 120 CO 0.00 -0.52 0.03 0.71 0.02 0.00 0.00 176.95 177.18 7i1b s TYR 121 N 1.50 1.92 -0.06 -1.98 1.51 -0.95 -0.72 117.35 118.57 7i1b s TYR 121 Ca 0.06 -0.92 -0.29 0.00 -1.01 0.00 0.00 57.07 54.91 7i1b s TYR 121 Cb -0.14 -1.65 -0.02 0.00 -0.11 0.00 0.00 41.96 40.03 7i1b s TYR 121 CO -0.02 0.21 0.95 0.42 -1.11 0.00 0.00 175.55 176.00 7i1b s ILE 122 N -2.85 4.86 0.13 2.71 1.01 -0.95 -1.96 121.20 124.14 7i1b s ILE 122 Ca 0.10 1.95 0.02 0.00 0.00 0.00 0.00 60.65 62.72 7i1b s ILE 122 Cb 0.02 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 7i1b s ILE 122 CO 0.05 0.10 -0.04 -0.44 0.00 0.00 0.00 174.94 174.62 7i1b s SER 123 N 1.03 1.17 0.13 3.58 0.01 -0.56 -4.42 113.70 114.63 7i1b s SER 123 Ca 0.48 -1.07 0.04 0.00 1.31 0.00 0.00 55.95 56.71 7i1b s SER 123 Cb -0.19 0.11 -0.04 0.00 0.21 0.00 0.00 66.02 66.10 7i1b s SER 123 CO 0.22 -0.50 -0.10 0.42 0.41 0.00 0.00 173.24 173.68 7i1b s THR 124 N -3.64 1.12 -0.21 1.44 -4.23 -0.86 -2.64 115.64 106.62 7i1b s THR 124 Ca 0.17 -1.93 -0.18 0.00 -1.18 0.00 0.00 61.69 58.57 7i1b s THR 124 Cb 0.05 -1.70 -0.03 0.00 1.34 0.00 0.00 72.50 72.17 7i1b s THR 124 CO -0.01 -0.67 0.51 -0.55 -0.54 0.00 0.00 174.62 173.36 7i1b s SER 125 N -2.92 6.54 0.56 3.99 0.15 -1.26 -2.70 113.70 118.05 7i1b s SER 125 Ca 0.13 0.65 0.35 0.00 0.70 0.00 0.00 55.95 57.78 7i1b s SER 125 Cb 0.01 -2.29 1.50 0.00 -1.71 0.00 0.00 66.02 63.53 7i1b s SER 125 CO 0.00 -0.19 1.78 -0.61 1.20 0.00 0.00 173.24 175.42 7i1b h GLN 126 N 7.54 0.00 -6.47 5.44 4.15 -1.98 -3.41 115.11 120.38 7i1b h GLN 126 Ca -0.33 0.00 -0.49 0.00 0.77 0.00 0.00 58.65 58.60 7i1b h GLN 126 Cb 1.15 0.00 0.24 0.00 0.21 0.00 0.00 27.48 29.08 7i1b h GLN 126 CO 0.74 0.00 -1.43 0.00 -1.93 0.00 0.00 178.83 176.21 7i1b n ALA 127 N -2.68 -4.35 -2.35 3.38 0.00 -1.26 -4.93 120.51 108.33 7i1b n ALA 127 Ca 0.23 -1.09 -0.37 0.00 0.00 0.00 0.00 53.44 52.21 7i1b n ALA 127 Cb 1.21 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 19.22 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 -3.00 4.05 -0.43 0.00 2.02 -1.26 -4.57 118.70 115.51 7i1b s GLU 128 Ca 0.50 0.57 -0.28 0.00 0.02 0.00 0.00 54.97 55.78 7i1b s GLU 128 Cb -0.10 -3.08 0.04 0.00 0.10 0.00 0.00 34.13 31.10 7i1b s GLU 128 CO 0.68 0.56 0.62 0.09 0.02 0.00 0.00 175.26 177.24 7i1b n ASN 129 N 1.26 -6.69 -3.78 -0.19 3.02 -1.26 -5.02 115.26 102.59 7i1b n ASN 129 Ca -0.08 0.20 -0.14 0.00 -0.03 0.00 0.00 54.58 54.52 7i1b n ASN 129 Cb 0.51 -3.44 -0.15 0.00 -0.61 0.00 0.00 39.78 36.09 7i1b n ASN 129 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 7i1b s MET 130 N -2.49 -0.00 0.50 3.52 1.75 -1.26 -5.02 119.30 116.30 7i1b s MET 130 Ca 0.31 0.20 -0.23 0.00 -1.25 0.00 0.00 55.69 54.72 7i1b s MET 130 Cb -0.05 -0.19 -0.07 0.00 2.84 0.00 0.00 34.83 37.36 7i1b s MET 130 CO 0.81 -0.14 1.37 -0.35 -0.65 0.00 0.00 175.02 176.06 7i1b n PRO 131 N 4.00 1.90 -1.98 4.11 -0.04 -1.26 -2.73 135.00 139.01 7i1b n PRO 131 Ca -0.25 0.69 -0.33 0.00 -0.04 0.00 0.00 63.50 63.57 7i1b n PRO 131 Cb 0.52 -2.56 0.02 0.00 -0.04 0.00 0.00 33.50 31.44 7i1b n PRO 131 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 7i1b s VAL 132 N -1.25 3.58 0.39 0.52 1.01 -1.02 -4.75 120.40 118.88 7i1b s VAL 132 Ca 0.67 0.76 -0.14 0.00 0.00 0.00 0.00 61.98 63.28 7i1b s VAL 132 Cb -0.44 -3.28 0.05 0.00 0.00 0.00 0.00 36.38 32.71 7i1b s VAL 132 CO 0.53 -0.43 0.76 0.72 0.00 0.00 0.00 175.10 176.68 7i1b s PHE 133 N -2.36 0.26 -0.21 5.22 -0.71 -1.08 -4.86 117.98 114.24 7i1b s PHE 133 Ca 0.65 -0.89 -0.09 0.00 -1.04 0.00 0.00 56.93 55.56 7i1b s PHE 133 Cb -0.18 0.73 -0.04 0.00 -1.21 0.00 0.00 43.02 42.32 7i1b s PHE 133 CO 0.37 -1.54 0.11 -1.17 -1.34 0.00 0.00 175.22 171.65 7i1b s LEU 134 N -3.10 3.97 0.08 -1.99 2.96 -1.26 -1.50 118.68 117.84 7i1b s LEU 134 Ca 0.18 0.11 0.07 0.00 -0.22 0.00 0.00 54.13 54.26 7i1b s LEU 134 Cb -0.05 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 7i1b s LEU 134 CO 0.13 0.13 -0.18 -0.83 -1.32 0.00 0.00 176.35 174.28 7i1b s GLY 135 N 0.64 1.08 -0.79 7.98 0.00 -0.83 -4.64 107.32 110.76 7i1b s GLY 135 Ca 0.06 -1.13 -0.00 0.00 0.00 0.00 0.00 44.72 43.65 7i1b s GLY 135 CO 0.01 -1.13 1.80 0.61 0.00 0.00 0.00 173.10 174.39 7i1b n GLY 136 N 1.26 5.69 2.52 0.20 0.00 -1.26 -2.23 105.19 111.36 7i1b n GLY 136 Ca -0.20 -2.56 -0.29 0.00 0.00 0.00 0.00 46.02 42.97 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 -5.05 0.27 0.06 2.61 2.01 -1.26 -4.99 115.64 109.29 7i1b s THR 137 Ca 0.50 -1.60 -0.31 0.00 0.31 0.00 0.00 61.69 60.59 7i1b s THR 137 Cb 0.40 -1.21 -0.08 0.00 0.01 0.00 0.00 72.50 71.61 7i1b s THR 137 CO -0.33 -0.91 1.69 -1.59 -0.69 0.00 0.00 174.62 172.78 7i1b s LYS 138 N 1.22 4.19 7.63 4.92 -2.85 -1.26 -4.61 119.74 128.97 7i1b s LYS 138 Ca 0.16 2.35 0.00 0.00 -1.00 0.00 0.00 55.97 57.48 7i1b s LYS 138 Cb -0.22 -3.69 0.00 0.00 -2.06 0.00 0.00 37.83 31.87 7i1b s LYS 138 CO -0.08 -0.77 0.00 0.41 0.10 0.00 0.00 175.35 175.01 7i1b n GLY 139 N 4.07 4.19 7.00 0.59 0.00 -1.26 -4.84 105.19 114.94 7i1b n GLY 139 Ca 0.16 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 3.73 0.08 -0.02 0.00 -1.26 -2.51 105.19 105.21 7i1b n GLY 140 Ca 0.00 0.22 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 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 12.92 1.30 -2.72 1.61 0.00 -1.26 -4.96 117.38 124.27 7i1b n GLN 141 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.00 56.61 7i1b n GLN 141 Cb 0.00 -1.41 -0.06 0.00 0.00 0.00 0.00 30.24 28.77 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 -5.06 7.49 -0.73 1.69 1.01 -1.04 -4.78 116.67 115.25 7i1b s ASP 142 Ca -0.10 1.95 -0.23 0.00 0.71 0.00 0.00 52.55 54.88 7i1b s ASP 142 Cb 0.05 -2.60 0.07 0.00 1.01 0.00 0.00 42.92 41.44 7i1b s ASP 142 CO 0.64 0.04 1.09 -0.63 0.21 0.00 0.00 175.17 176.52 7i1b s ILE 143 N -1.32 4.20 -0.13 0.77 1.01 -1.10 -4.23 121.20 120.41 7i1b s ILE 143 Ca 0.45 -0.34 0.18 0.00 0.00 0.00 0.00 60.65 60.94 7i1b s ILE 143 Cb -0.24 -4.77 -0.19 0.00 0.01 0.00 0.00 42.46 37.26 7i1b s ILE 143 CO 0.30 -1.59 0.60 0.35 0.00 0.00 0.00 174.94 174.60 7i1b n THR 144 N 6.05 1.01 -1.14 2.92 -2.24 -1.26 -2.04 114.28 117.58 7i1b n THR 144 Ca 0.03 -0.69 -0.31 0.00 -2.27 0.00 0.00 64.05 60.81 7i1b n THR 144 Cb 0.47 -0.54 0.12 0.00 -2.10 0.00 0.00 70.33 68.28 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 -5.48 3.97 0.32 3.42 1.47 -1.26 -4.59 116.67 114.52 7i1b s ASP 145 Ca -0.05 1.82 -0.08 0.00 1.18 0.00 0.00 52.55 55.41 7i1b s ASP 145 Cb 0.09 -2.46 0.03 0.00 -0.34 0.00 0.00 42.92 40.24 7i1b s ASP 145 CO 0.83 -2.37 0.56 0.49 0.68 0.00 0.00 175.17 175.36 7i1b n PHE 146 N -3.74 -1.81 -3.58 2.11 3.72 0.15 -4.07 117.46 110.24 7i1b n PHE 146 Ca 0.09 -1.72 -0.05 0.00 -0.05 0.00 0.00 57.45 55.73 7i1b n PHE 146 Cb 0.53 0.65 -0.07 0.00 -0.94 0.00 0.00 39.48 39.66 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 -2.45 -0.80 0.46 4.37 -4.23 0.09 -0.94 115.64 112.14 7i1b s THR 147 Ca 0.18 0.07 -0.01 0.00 -1.18 0.00 0.00 61.69 60.75 7i1b s THR 147 Cb -0.03 -0.83 -0.01 0.00 1.34 0.00 0.00 72.50 72.98 7i1b s THR 147 CO 0.13 0.02 0.70 0.00 -0.54 0.00 0.00 174.62 174.93 7i1b s MET 148 N 2.73 3.17 -0.09 3.99 0.23 -1.26 -1.31 119.30 126.77 7i1b s MET 148 Ca 0.00 -0.31 -0.04 0.00 -1.03 0.00 0.00 55.69 54.32 7i1b s MET 148 Cb -0.13 -2.51 0.05 0.00 -1.53 0.00 0.00 34.83 30.71 7i1b s MET 148 CO -0.16 -0.26 0.18 -1.14 -2.03 0.00 0.00 175.02 171.62 7i1b s GLN 149 N -4.60 0.11 0.49 3.16 0.74 -0.96 -4.96 119.66 113.63 7i1b s GLN 149 Ca 0.48 0.49 -0.23 0.00 0.05 0.00 0.00 55.36 56.15 7i1b s GLN 149 Cb -0.10 -0.18 -0.06 0.00 1.10 0.00 0.00 33.01 33.77 7i1b s GLN 149 CO 0.40 -0.21 1.33 -0.06 -0.55 0.00 0.00 175.29 176.20 7i1b s PHE 150 N 1.60 2.48 0.15 1.67 0.40 -1.26 -2.30 117.98 120.73 7i1b s PHE 150 Ca -0.05 1.38 0.09 0.00 -0.60 0.00 0.00 56.93 57.75 7i1b s PHE 150 Cb -0.11 -3.74 -0.04 0.00 0.51 0.00 0.00 43.02 39.63 7i1b s PHE 150 CO -0.07 -2.58 -0.20 0.14 0.70 0.00 0.00 175.22 173.21 7i1b s VAL 151 N -1.32 1.87 0.23 -0.44 -7.23 -1.01 -4.89 120.40 107.60 7i1b s VAL 151 Ca 0.66 -1.84 -0.07 0.00 -1.81 0.00 0.00 61.98 58.92 7i1b s VAL 151 Cb -0.39 -1.82 -0.02 0.00 0.56 0.00 0.00 36.38 34.72 7i1b s VAL 151 CO 0.48 -0.23 0.32 -0.55 -0.31 0.00 0.00 175.10 174.81 7i1b s SER 152 N -2.49 0.06 0.00 4.85 0.15 -1.26 -4.88 113.70 110.13 7i1b s SER 152 Ca 0.14 -1.16 0.26 0.00 0.70 0.00 0.00 55.95 55.89 7i1b s SER 152 Cb -0.07 0.50 0.52 0.00 -1.71 0.00 0.00 66.02 65.26 7i1b s SER 152 CO 0.06 -1.01 1.45 -1.20 1.20 0.00 0.00 173.24 173.74