#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 0.39 -0.72 0.00 -0.04 -1.26 -4.68 135.00 128.69 7i1b n PRO 2 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 7i1b n PRO 2 Cb 0.00 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 7i1b n PRO 2 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 7i1b n VAL 3 N 0.85 0.00 -3.48 0.52 0.31 -1.26 -4.69 118.33 110.57 7i1b n VAL 3 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.15 7i1b n VAL 3 Cb 0.19 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.00 7i1b n VAL 3 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 7i1b s ARG 4 N -0.31 0.20 0.68 5.55 0.52 -1.26 -5.07 118.95 119.26 7i1b s ARG 4 Ca 0.00 0.20 -0.02 0.00 -0.52 0.00 0.00 55.73 55.40 7i1b s ARG 4 Cb 0.00 -1.17 0.10 0.00 0.52 0.00 0.00 34.95 34.39 7i1b s ARG 4 CO 0.00 -0.67 0.95 -1.12 0.02 0.00 0.00 175.30 174.48 7i1b s SER 5 N 2.33 4.60 -0.30 0.23 0.01 -1.26 -2.77 113.70 116.55 7i1b s SER 5 Ca 0.07 -0.15 -0.13 0.00 1.31 0.00 0.00 55.95 57.05 7i1b s SER 5 Cb -0.16 -0.39 0.15 0.00 0.21 0.00 0.00 66.02 65.84 7i1b s SER 5 CO -0.13 -1.67 0.85 -0.22 0.41 0.00 0.00 173.24 172.48 7i1b s LEU 6 N -5.08 -0.81 0.38 2.44 2.96 0.27 -4.95 118.68 113.89 7i1b s LEU 6 Ca 0.63 1.12 -0.25 0.00 -0.22 0.00 0.00 54.13 55.41 7i1b s LEU 6 Cb -0.07 1.93 -0.09 0.00 0.50 0.00 0.00 46.19 48.46 7i1b s LEU 6 CO 0.43 -0.16 1.07 0.20 -1.32 0.00 0.00 176.35 176.57 7i1b s ASN 7 N 2.60 6.83 -0.21 3.68 0.01 -1.26 0.02 114.94 126.60 7i1b s ASN 7 Ca -0.04 2.11 -0.30 0.00 -0.71 0.00 0.00 52.86 53.91 7i1b s ASN 7 Cb -0.08 -2.60 0.15 0.00 0.41 0.00 0.00 41.25 39.14 7i1b s ASN 7 CO -0.18 -0.44 1.18 0.00 -1.51 0.00 0.00 177.10 176.14 7i1b s THR 9 N -1.35 2.42 0.03 0.00 -4.23 -1.00 -1.61 115.64 109.91 7i1b s THR 9 Ca 0.05 -1.26 0.05 0.00 -1.18 0.00 0.00 61.69 59.35 7i1b s THR 9 Cb -0.01 -2.68 -0.02 0.00 1.34 0.00 0.00 72.50 71.14 7i1b s THR 9 CO -0.04 0.00 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.14 7i1b s LEU 10 N -4.29 2.15 -0.08 4.79 1.43 -1.26 -2.60 118.68 118.82 7i1b s LEU 10 Ca 0.49 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 53.11 7i1b s LEU 10 Cb -0.05 -0.64 0.04 0.00 0.03 0.00 0.00 46.19 45.58 7i1b s LEU 10 CO 0.29 0.06 0.18 -0.13 0.23 0.00 0.00 176.35 176.98 7i1b s ARG 11 N -1.05 0.14 1.16 1.70 0.52 -0.47 -3.75 118.95 117.20 7i1b s ARG 11 Ca 0.02 0.41 -0.19 0.00 -0.52 0.00 0.00 55.73 55.45 7i1b s ARG 11 Cb -0.08 -0.14 0.29 0.00 0.52 0.00 0.00 34.95 35.55 7i1b s ARG 11 CO 0.01 -0.15 1.03 -0.40 0.02 0.00 0.00 175.30 175.81 7i1b n ASP 12 N 4.10 -2.02 0.22 0.23 5.75 -0.74 -0.31 116.55 123.79 7i1b n ASP 12 Ca -0.25 -1.13 0.16 0.00 -0.01 0.00 0.00 54.79 53.55 7i1b n ASP 12 Cb 0.53 -0.95 0.68 0.00 -1.03 0.00 0.00 41.12 40.35 7i1b n ASP 12 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 7i1b h SER 13 N -2.62 0.00 -0.08 -1.12 4.64 -1.87 -1.54 113.55 110.96 7i1b h SER 13 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 7i1b h SER 13 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 7i1b h SER 13 CO 0.25 0.00 0.00 1.67 -0.87 0.00 0.00 176.83 177.88 7i1b n GLN 14 N -2.71 1.69 -0.95 4.77 -0.06 -1.26 -4.89 117.38 113.97 7i1b n GLN 14 Ca 0.00 -1.02 0.00 0.00 -2.00 0.00 0.00 57.00 53.98 7i1b n GLN 14 Cb 0.22 -1.44 0.00 0.00 -4.06 0.00 0.00 30.24 24.95 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 0.24 0.00 -1.60 3.69 7.27 -0.58 -5.02 117.38 121.38 7i1b n GLN 15 Ca 0.18 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.93 7i1b n GLN 15 Cb 0.34 -2.55 0.06 0.00 2.41 0.00 0.00 30.24 30.51 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 -0.05 2.68 0.30 3.69 1.02 -1.26 -4.75 119.74 121.36 7i1b s LYS 16 Ca 0.00 1.26 0.11 0.00 0.02 0.00 0.00 55.97 57.35 7i1b s LYS 16 Cb 0.00 -1.94 -0.05 0.00 -0.52 0.00 0.00 37.83 35.31 7i1b s LYS 16 CO 0.00 -1.32 -0.11 -1.12 -0.92 0.00 0.00 175.35 171.87 7i1b s SER 17 N -2.99 3.88 -0.04 2.83 0.01 -0.97 -1.79 113.70 114.62 7i1b s SER 17 Ca 0.64 -0.99 -0.15 0.00 1.31 0.00 0.00 55.95 56.76 7i1b s SER 17 Cb -0.18 -0.44 -0.05 0.00 0.21 0.00 0.00 66.02 65.55 7i1b s SER 17 CO 0.47 -0.05 0.41 -0.76 0.41 0.00 0.00 173.24 173.72 7i1b s LEU 18 N -3.59 4.41 -0.02 2.44 1.43 -1.25 -2.34 118.68 119.77 7i1b s LEU 18 Ca 0.31 0.89 0.03 0.00 -1.03 0.00 0.00 54.13 54.33 7i1b s LEU 18 Cb -0.03 -2.59 0.00 0.00 0.03 0.00 0.00 46.19 43.60 7i1b s LEU 18 CO 0.17 0.23 -0.09 0.68 0.23 0.00 0.00 176.35 177.57 7i1b s VAL 19 N -0.56 0.80 -1.05 -1.59 -7.23 0.12 -2.70 120.40 108.18 7i1b s VAL 19 Ca 0.23 -0.38 -0.23 0.00 -1.81 0.00 0.00 61.98 59.80 7i1b s VAL 19 Cb -0.16 -0.70 -0.00 0.00 0.56 0.00 0.00 36.38 36.08 7i1b s VAL 19 CO 0.12 0.24 1.74 -0.32 -0.31 0.00 0.00 175.10 176.57 7i1b s MET 20 N 0.11 3.14 0.44 4.82 1.75 -1.26 0.09 119.30 128.39 7i1b s MET 20 Ca -0.02 -1.00 0.28 0.00 -1.25 0.00 0.00 55.69 53.70 7i1b s MET 20 Cb -0.08 -5.27 0.92 0.00 2.84 0.00 0.00 34.83 33.24 7i1b s MET 20 CO 0.00 -2.88 1.80 0.77 -0.65 0.00 0.00 175.02 174.06 7i1b h SER 21 N 9.91 0.00 -5.47 1.11 0.02 -1.80 -3.46 113.55 113.86 7i1b h SER 21 Ca 0.21 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.93 7i1b h SER 21 Cb 0.97 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.43 7i1b h SER 21 CO 1.33 0.00 -0.18 -0.83 -1.14 0.00 0.00 176.83 176.01 7i1b s GLY 22 N -4.04 1.31 0.06 -3.77 0.00 -0.49 -5.00 107.32 95.39 7i1b s GLY 22 Ca 0.05 -1.41 -0.32 0.00 0.00 0.00 0.00 44.72 43.04 7i1b s GLY 22 CO 0.57 -0.94 1.49 -2.55 0.00 0.00 0.00 173.10 171.67 7i1b h PRO 23 N 2.15 -1.03 -0.72 2.90 0.11 -2.02 -3.19 132.00 130.20 7i1b h PRO 23 Ca -0.28 0.07 -0.43 0.00 0.11 0.00 0.00 66.00 65.46 7i1b h PRO 23 Cb 1.24 0.23 -0.25 0.00 0.11 0.00 0.00 31.00 32.34 7i1b h PRO 23 CO 0.39 -0.69 0.21 0.66 -0.21 0.00 0.00 178.00 178.36 7i1b n TYR 24 N -5.13 2.31 -3.71 0.65 4.01 -1.26 -4.94 117.16 109.09 7i1b n TYR 24 Ca -0.13 -2.09 -0.14 0.00 -0.16 0.00 0.00 57.90 55.38 7i1b n TYR 24 Cb 0.44 -0.80 -0.14 0.00 -0.31 0.00 0.00 39.34 38.53 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 -3.45 0.11 0.21 -0.72 2.02 -1.20 -4.52 118.70 111.14 7i1b s GLU 25 Ca 0.53 0.50 0.07 0.00 0.02 0.00 0.00 54.97 56.10 7i1b s GLU 25 Cb 0.45 -0.17 -0.04 0.00 0.10 0.00 0.00 34.13 34.47 7i1b s GLU 25 CO 0.03 -0.21 0.05 -0.51 0.02 0.00 0.00 175.26 174.63 7i1b s LEU 26 N 1.59 3.43 0.00 1.80 1.43 -1.26 -1.40 118.68 124.28 7i1b s LEU 26 Ca -0.05 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 7i1b s LEU 26 Cb -0.11 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 7i1b s LEU 26 CO -0.07 0.05 -0.04 -0.54 0.23 0.00 0.00 176.35 175.98 7i1b s LYS 27 N -3.28 0.30 -0.35 1.70 1.02 0.11 -2.40 119.74 116.84 7i1b s LYS 27 Ca 0.30 -0.22 -0.10 0.00 0.02 0.00 0.00 55.97 55.96 7i1b s LYS 27 Cb -0.08 -0.23 0.02 0.00 -0.52 0.00 0.00 37.83 37.01 7i1b s LYS 27 CO 0.20 0.06 0.18 0.00 -0.92 0.00 0.00 175.35 174.87 7i1b s ALA 28 N -0.32 3.25 0.35 5.17 0.00 -1.11 0.12 121.76 129.22 7i1b s ALA 28 Ca -0.01 -1.62 0.02 0.00 0.00 0.00 0.00 51.96 50.35 7i1b s ALA 28 Cb -0.03 -2.49 -0.01 0.00 0.00 0.00 0.00 23.12 20.59 7i1b s ALA 28 CO -0.00 -1.23 0.40 -0.48 0.00 0.00 0.00 175.76 174.45 7i1b s LEU 29 N 1.56 1.38 -1.25 0.00 0.05 -0.99 -3.98 118.68 115.44 7i1b s LEU 29 Ca 0.02 -1.65 -0.18 0.00 0.05 0.00 0.00 54.13 52.37 7i1b s LEU 29 Cb -0.18 1.09 0.07 0.00 -2.05 0.00 0.00 46.19 45.12 7i1b s LEU 29 CO 0.06 -1.22 1.68 -1.00 -0.55 0.00 0.00 176.35 175.32 7i1b s HIS 30 N -3.13 2.79 -0.08 3.48 3.76 -1.26 -2.30 115.29 118.56 7i1b s HIS 30 Ca 0.35 -1.55 -0.30 0.00 -0.15 0.00 0.00 55.06 53.42 7i1b s HIS 30 Cb 0.01 -4.72 -0.03 0.00 1.11 0.00 0.00 32.58 28.94 7i1b s HIS 30 CO 0.25 -1.80 1.22 -1.17 -0.85 0.00 0.00 174.74 172.38 7i1b s LEU 31 N 4.17 4.26 0.19 0.89 2.96 -1.26 -4.99 118.68 124.90 7i1b s LEU 31 Ca 0.52 1.80 -0.23 0.00 -0.22 0.00 0.00 54.13 56.00 7i1b s LEU 31 Cb 0.03 -3.55 0.06 0.00 0.50 0.00 0.00 46.19 43.22 7i1b s LEU 31 CO 0.05 -0.62 0.64 -1.58 -1.32 0.00 0.00 176.35 173.52 7i1b s GLN 32 N 2.48 1.41 1.46 1.98 0.74 -1.26 -4.87 119.66 121.59 7i1b s GLN 32 Ca 0.56 -0.62 0.00 0.00 0.05 0.00 0.00 55.36 55.35 7i1b s GLN 32 Cb -0.24 0.59 0.00 0.00 1.10 0.00 0.00 33.01 34.46 7i1b s GLN 32 CO 0.21 -0.63 0.00 0.41 -0.55 0.00 0.00 175.29 174.73 7i1b n GLY 33 N -0.40 -1.77 0.40 2.59 0.00 -1.26 -3.77 105.19 100.98 7i1b n GLY 33 Ca -0.13 -1.41 0.22 0.00 0.00 0.00 0.00 46.02 44.70 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 0.07 0.00 1.61 3.07 -2.05 0.45 115.11 118.26 7i1b h GLN 34 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 7i1b h GLN 34 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.54 7i1b h GLN 34 CO 0.00 0.05 0.00 -3.47 0.09 0.00 0.00 178.83 175.50 7i1b n ASP 35 N -4.37 0.00 0.28 0.06 2.03 -1.25 -2.73 116.55 110.57 7i1b n ASP 35 Ca 0.13 -0.31 0.14 0.00 0.52 0.00 0.00 54.79 55.27 7i1b n ASP 35 Cb 0.69 0.00 0.84 0.00 -0.72 0.00 0.00 41.12 41.93 7i1b n ASP 35 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 7i1b h MET 36 N 0.00 0.00 0.00 -0.67 4.05 -0.24 -0.93 114.93 117.13 7i1b h MET 36 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 7i1b h MET 36 Cb 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 7i1b h MET 36 CO 0.00 0.05 0.00 -0.85 0.23 0.00 0.00 176.91 176.34 7i1b n GLU 37 N -3.81 0.07 -0.60 0.39 0.28 -1.11 -2.13 120.64 113.73 7i1b n GLU 37 Ca -0.03 0.26 -0.10 0.00 -0.16 0.00 0.00 57.16 57.14 7i1b n GLU 37 Cb 0.14 -1.50 0.11 0.00 1.43 0.00 0.00 31.44 31.62 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 -1.33 1.87 -2.99 3.44 6.02 -0.36 -4.86 117.38 119.17 7i1b n GLN 38 Ca 0.03 -1.55 -0.41 0.00 -0.01 0.00 0.00 57.00 55.06 7i1b n GLN 38 Cb 0.05 -1.65 -0.05 0.00 1.02 0.00 0.00 30.24 29.61 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 -1.72 4.15 0.92 -1.09 -2.07 -0.91 -4.49 119.66 114.46 7i1b s GLN 39 Ca 0.29 0.77 -0.12 0.00 -1.82 0.00 0.00 55.36 54.48 7i1b s GLN 39 Cb 0.24 -3.65 0.14 0.00 -1.09 0.00 0.00 33.01 28.66 7i1b s GLN 39 CO 0.06 -0.47 1.11 0.08 -1.32 0.00 0.00 175.29 174.75 7i1b s VAL 40 N 2.68 2.33 -0.18 3.63 1.01 -1.10 -5.03 120.40 123.73 7i1b s VAL 40 Ca 0.31 0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.36 7i1b s VAL 40 Cb -0.15 -2.71 0.09 0.00 0.00 0.00 0.00 36.38 33.61 7i1b s VAL 40 CO 0.08 -0.14 0.23 -0.69 0.00 0.00 0.00 175.10 174.58 7i1b s VAL 41 N -3.07 -0.36 0.09 2.92 1.01 -1.26 -4.71 120.40 115.02 7i1b s VAL 41 Ca 0.64 -0.01 -0.08 0.00 0.00 0.00 0.00 61.98 62.54 7i1b s VAL 41 Cb -0.17 -0.62 -0.06 0.00 0.00 0.00 0.00 36.38 35.54 7i1b s VAL 41 CO 0.56 -0.11 0.38 -0.36 0.00 0.00 0.00 175.10 175.56 7i1b s PHE 42 N 2.36 3.54 -0.50 5.22 0.40 -0.63 -2.32 117.98 126.05 7i1b s PHE 42 Ca 0.06 0.68 -0.14 0.00 -0.60 0.00 0.00 56.93 56.93 7i1b s PHE 42 Cb -0.15 -2.08 0.11 0.00 0.51 0.00 0.00 43.02 41.41 7i1b s PHE 42 CO -0.11 0.50 0.42 0.45 0.70 0.00 0.00 175.22 177.17 7i1b s SER 43 N -1.99 6.01 0.49 1.36 0.15 1.00 -1.67 113.70 119.04 7i1b s SER 43 Ca 0.35 -1.70 -0.23 0.00 0.70 0.00 0.00 55.95 55.07 7i1b s SER 43 Cb -0.13 -2.13 -0.06 0.00 -1.71 0.00 0.00 66.02 61.98 7i1b s SER 43 CO 0.20 -0.75 1.29 -0.32 1.20 0.00 0.00 173.24 174.87 7i1b s MET 44 N 1.53 3.50 -0.08 5.44 1.75 0.10 -2.23 119.30 129.32 7i1b s MET 44 Ca 0.04 2.09 -0.01 0.00 -1.25 0.00 0.00 55.69 56.56 7i1b s MET 44 Cb -0.27 -2.41 0.03 0.00 2.84 0.00 0.00 34.83 35.02 7i1b s MET 44 CO 0.03 -0.86 -0.01 -1.12 -0.65 0.00 0.00 175.02 172.41 7i1b s SER 45 N -1.02 1.66 -0.38 1.11 0.01 -0.01 -0.56 113.70 114.51 7i1b s SER 45 Ca 0.66 -0.11 -0.29 0.00 1.31 0.00 0.00 55.95 57.52 7i1b s SER 45 Cb -0.37 -0.50 0.02 0.00 0.21 0.00 0.00 66.02 65.39 7i1b s SER 45 CO 0.44 -0.18 1.11 -0.36 0.41 0.00 0.00 173.24 174.66 7i1b s PHE 46 N 1.93 2.99 0.50 2.43 0.08 -1.11 0.13 117.98 124.92 7i1b s PHE 46 Ca 0.05 0.99 0.04 0.00 0.12 0.00 0.00 56.93 58.12 7i1b s PHE 46 Cb -0.12 -4.01 0.04 0.00 -0.57 0.00 0.00 43.02 38.36 7i1b s PHE 46 CO -0.06 -1.02 0.31 1.33 -0.10 0.00 0.00 175.22 175.69 7i1b n VAL 47 N 6.29 0.00 -3.52 -0.44 0.24 -1.08 -4.46 118.33 115.37 7i1b n VAL 47 Ca 0.12 -2.04 -0.32 0.00 -2.04 0.00 0.00 64.34 60.05 7i1b n VAL 47 Cb 0.48 0.02 -0.05 0.00 -1.47 0.00 0.00 33.84 32.82 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 -4.01 3.75 0.00 7.34 -2.07 -0.79 -4.74 119.66 119.14 7i1b s GLN 48 Ca 0.24 0.16 0.00 0.00 -1.82 0.00 0.00 55.36 53.94 7i1b s GLN 48 Cb -0.02 -2.78 0.00 0.00 -1.09 0.00 0.00 33.01 29.12 7i1b s GLN 48 CO 0.15 0.41 0.00 0.41 -1.32 0.00 0.00 175.29 174.94 7i1b n GLY 49 N 0.15 -1.31 3.53 2.60 0.00 -1.26 -4.77 105.19 104.13 7i1b n GLY 49 Ca -0.02 -1.08 -0.19 0.00 0.00 0.00 0.00 46.02 44.73 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 0.35 -3.00 1.61 -0.58 -1.26 -4.84 120.64 112.92 7i1b n GLU 50 Ca 0.00 -0.44 -0.43 0.00 -0.42 0.00 0.00 57.16 55.87 7i1b n GLU 50 Cb 0.00 -2.55 -0.06 0.00 -0.57 0.00 0.00 31.44 28.26 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 8.16 3.53 0.00 3.49 2.56 -1.26 -4.56 118.70 130.61 7i1b s GLU 51 Ca 1.10 0.00 0.00 0.00 0.00 0.00 0.00 54.97 56.08 7i1b s GLU 51 Cb -0.46 -3.88 0.00 0.00 2.00 0.00 0.00 34.13 31.79 7i1b s GLU 51 CO 0.30 -0.97 0.00 0.45 -0.56 0.00 0.00 175.26 174.47 7i1b n SER 52 N 6.48 0.00 -0.08 -1.70 2.88 -1.12 -5.07 113.62 115.01 7i1b n SER 52 Ca 0.01 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.46 7i1b n SER 52 Cb 0.48 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.90 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 1.82 -0.10 -3.46 5.15 -1.26 -4.70 115.26 112.71 7i1b n ASN 53 Ca 0.00 0.58 -0.18 0.00 -0.60 0.00 0.00 54.58 54.38 7i1b n ASN 53 Cb 0.00 -0.89 -0.13 0.00 -0.53 0.00 0.00 39.78 38.23 7i1b n ASN 53 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 7i1b n ASP 54 N -4.57 1.90 -4.65 1.20 9.92 -1.26 -4.88 116.55 114.22 7i1b n ASP 54 Ca -0.14 -0.04 -0.42 0.00 -0.53 0.00 0.00 54.79 53.66 7i1b n ASP 54 Cb 0.37 -0.44 -0.03 0.00 -0.64 0.00 0.00 41.12 40.38 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 -2.53 3.96 -0.33 -1.24 1.02 -1.25 -4.22 119.74 115.15 7i1b s LYS 55 Ca -0.30 2.21 -0.00 0.00 0.02 0.00 0.00 55.97 57.89 7i1b s LYS 55 Cb 0.08 -4.10 0.11 0.00 -0.52 0.00 0.00 37.83 33.40 7i1b s LYS 55 CO 0.65 -1.12 0.13 0.42 -0.92 0.00 0.00 175.35 174.50 7i1b s ILE 56 N 4.93 0.89 0.07 2.17 1.01 -0.79 -2.79 121.20 126.69 7i1b s ILE 56 Ca 0.81 -1.57 -0.31 0.00 0.00 0.00 0.00 60.65 59.58 7i1b s ILE 56 Cb -0.35 -1.67 -0.10 0.00 0.01 0.00 0.00 42.46 40.35 7i1b s ILE 56 CO 0.34 -0.73 1.88 -2.65 0.00 0.00 0.00 174.94 173.78 7i1b n PRO 57 N 4.62 2.71 -2.27 2.79 -0.02 -1.26 -2.38 135.00 139.20 7i1b n PRO 57 Ca 0.00 0.99 -0.03 0.00 -2.02 0.00 0.00 63.50 62.44 7i1b n PRO 57 Cb 0.41 -2.89 -0.01 0.00 -0.02 0.00 0.00 33.50 30.99 7i1b n PRO 57 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 7i1b n VAL 58 N 4.97 0.00 -3.58 -1.45 0.24 -0.75 -2.62 118.33 115.15 7i1b n VAL 58 Ca 0.19 -0.27 -0.16 0.00 -2.04 0.00 0.00 64.34 62.06 7i1b n VAL 58 Cb 0.37 0.11 -0.14 0.00 -1.47 0.00 0.00 33.84 32.72 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 -2.14 -0.34 -0.41 2.33 0.00 0.12 -2.08 121.76 119.24 7i1b s ALA 59 Ca 0.03 0.52 -0.23 0.00 0.00 0.00 0.00 51.96 52.28 7i1b s ALA 59 Cb 0.00 -1.13 0.02 0.00 0.00 0.00 0.00 23.12 22.01 7i1b s ALA 59 CO 0.02 -0.90 0.81 -0.51 0.00 0.00 0.00 175.76 175.17 7i1b s LEU 60 N 2.35 4.16 -0.15 0.00 1.43 -1.26 -0.83 118.68 124.37 7i1b s LEU 60 Ca 0.05 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.28 7i1b s LEU 60 Cb -0.14 -3.03 0.02 0.00 0.03 0.00 0.00 46.19 43.07 7i1b s LEU 60 CO -0.10 -0.86 -0.18 -0.83 0.23 0.00 0.00 176.35 174.61 7i1b s GLY 61 N 2.03 1.27 0.07 -3.19 0.00 -0.95 -2.66 107.32 103.89 7i1b s GLY 61 Ca 0.32 -1.04 -0.36 0.00 0.00 0.00 0.00 44.72 43.63 7i1b s GLY 61 CO 0.21 0.27 1.47 1.04 0.00 0.00 0.00 173.10 176.09 7i1b n LEU 62 N 4.48 2.23 -0.12 0.66 4.77 -0.41 -0.00 117.00 128.62 7i1b n LEU 62 Ca -0.19 1.10 -0.12 0.00 -0.03 0.00 0.00 56.01 56.76 7i1b n LEU 62 Cb 0.50 -1.27 -0.00 0.00 -2.33 0.00 0.00 43.42 40.33 7i1b n LEU 62 CO 0.25 -0.72 0.58 0.50 -1.33 0.00 0.00 177.39 176.67 7i1b h LYS 63 N 5.40 0.91 0.13 3.23 3.64 -1.78 -3.26 116.57 124.84 7i1b h LYS 63 Ca -0.47 -0.46 0.02 0.00 -1.27 0.00 0.00 60.65 58.47 7i1b h LYS 63 Cb 1.31 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.09 7i1b h LYS 63 CO 0.83 1.11 -0.30 0.93 -2.27 0.00 0.00 179.45 179.75 7i1b h GLU 64 N 0.75 -0.51 -5.09 1.90 5.08 -1.89 -3.45 114.58 111.38 7i1b h GLU 64 Ca 0.07 0.03 -0.63 0.00 -1.00 0.00 0.00 59.36 57.84 7i1b h GLU 64 Cb 0.93 0.11 -0.13 0.00 0.50 0.00 0.00 28.75 30.17 7i1b h GLU 64 CO 0.09 -0.34 -0.50 0.15 -1.00 0.00 0.00 179.01 177.41 7i1b s LYS 65 N -6.03 2.09 -0.26 2.33 1.02 -1.23 -5.02 119.74 112.64 7i1b s LYS 65 Ca -0.16 -2.32 -0.01 0.00 0.02 0.00 0.00 55.97 53.51 7i1b s LYS 65 Cb 0.08 -1.02 0.19 0.00 -0.52 0.00 0.00 37.83 36.56 7i1b s LYS 65 CO 0.65 -0.46 1.95 0.27 -0.92 0.00 0.00 175.35 176.83 7i1b n ASN 66 N -1.36 5.99 -4.64 2.83 0.23 -1.26 -4.28 115.26 112.77 7i1b n ASN 66 Ca -0.13 -2.94 -0.40 0.00 -0.53 0.00 0.00 54.58 50.59 7i1b n ASN 66 Cb 0.66 -1.02 -0.07 0.00 -2.08 0.00 0.00 39.78 37.27 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 -1.53 4.10 -0.10 -4.53 1.43 -1.26 -2.59 118.68 114.20 7i1b s LEU 67 Ca 0.26 0.64 0.01 0.00 -1.03 0.00 0.00 54.13 54.01 7i1b s LEU 67 Cb 0.21 -2.73 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 7i1b s LEU 67 CO 0.00 -0.25 -0.11 -0.31 0.23 0.00 0.00 176.35 175.91 7i1b s TYR 68 N 2.02 2.84 0.43 0.29 1.51 -0.90 -1.28 117.35 122.26 7i1b s TYR 68 Ca 0.24 -0.32 -0.26 0.00 -1.01 0.00 0.00 57.07 55.72 7i1b s TYR 68 Cb -0.16 -1.77 -0.09 0.00 -0.11 0.00 0.00 41.96 39.83 7i1b s TYR 68 CO 0.09 0.04 1.44 1.28 -1.11 0.00 0.00 175.55 177.29 7i1b n LEU 69 N 2.91 4.99 -3.73 -1.29 4.32 -1.09 -2.40 117.00 120.73 7i1b n LEU 69 Ca -0.18 1.14 -0.12 0.00 -0.02 0.00 0.00 56.01 56.83 7i1b n LEU 69 Cb 0.53 -1.60 -0.12 0.00 -1.62 0.00 0.00 43.42 40.60 7i1b n LEU 69 CO 0.29 -0.12 -0.08 -0.94 -1.22 0.00 0.00 177.39 175.32 7i1b s SER 70 N -0.40 -0.32 -0.43 -1.43 1.04 -0.16 -4.46 113.70 107.53 7i1b s SER 70 Ca 0.59 0.60 -0.23 0.00 0.48 0.00 0.00 55.95 57.40 7i1b s SER 70 Cb -0.46 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.19 7i1b s SER 70 CO 0.59 -0.16 0.77 0.00 0.98 0.00 0.00 173.24 175.42 7i1b s VAL 72 N 3.21 1.67 0.06 0.00 -7.23 -0.92 -4.77 120.40 112.42 7i1b s VAL 72 Ca 0.29 -2.02 -0.27 0.00 -1.81 0.00 0.00 61.98 58.17 7i1b s VAL 72 Cb -0.12 -1.88 -0.05 0.00 0.56 0.00 0.00 36.38 34.88 7i1b s VAL 72 CO 0.21 -0.48 0.86 -0.76 -0.31 0.00 0.00 175.10 174.62 7i1b s LEU 73 N -2.95 4.45 -0.64 1.32 1.43 -1.26 -1.71 118.68 119.33 7i1b s LEU 73 Ca 0.18 1.58 0.05 0.00 -1.03 0.00 0.00 54.13 54.91 7i1b s LEU 73 Cb -0.03 -3.39 0.16 0.00 0.03 0.00 0.00 46.19 42.96 7i1b s LEU 73 CO 0.06 -0.05 0.44 -0.54 0.23 0.00 0.00 176.35 176.49 7i1b s LYS 74 N 0.13 2.19 0.00 1.70 1.02 0.47 -4.70 119.74 120.55 7i1b s LYS 74 Ca 0.43 -3.07 0.00 0.00 0.02 0.00 0.00 55.97 53.35 7i1b s LYS 74 Cb -0.21 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 33.94 7i1b s LYS 74 CO 0.26 -1.27 0.00 -0.25 -0.92 0.00 0.00 175.35 173.17 7i1b n ASP 75 N 2.27 -1.61 -0.16 2.83 8.00 -1.26 -3.64 116.55 122.98 7i1b n ASP 75 Ca 0.18 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.66 7i1b n ASP 75 Cb 0.36 -0.40 -0.01 0.00 -0.02 0.00 0.00 41.12 41.05 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 0.41 -4.60 -4.17 -2.24 8.00 -1.26 -4.99 116.55 107.70 7i1b n ASP 76 Ca 0.00 0.05 -0.33 0.00 0.71 0.00 0.00 54.79 55.22 7i1b n ASP 76 Cb 0.40 -2.28 -0.16 0.00 -0.02 0.00 0.00 41.12 39.06 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 -1.43 3.04 0.40 -1.24 2.20 -1.24 -5.08 119.74 116.38 7i1b s LYS 77 Ca 0.00 -0.84 -0.27 0.00 -0.36 0.00 0.00 55.97 54.51 7i1b s LYS 77 Cb 0.00 -2.48 -0.10 0.00 -1.51 0.00 0.00 37.83 33.73 7i1b s LYS 77 CO 0.00 -0.05 1.33 -2.30 -0.36 0.00 0.00 175.35 173.97 7i1b n PRO 78 N 4.18 2.15 -3.79 4.03 -0.02 -1.26 -0.40 135.00 139.88 7i1b n PRO 78 Ca -0.20 0.76 -0.09 0.00 -2.02 0.00 0.00 63.50 61.94 7i1b n PRO 78 Cb 0.51 -2.45 -0.04 0.00 -0.02 0.00 0.00 33.50 31.51 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 -1.16 0.02 -0.09 3.45 2.01 -0.69 -4.69 115.64 114.49 7i1b s THR 79 Ca 0.58 -0.91 -0.03 0.00 0.31 0.00 0.00 61.69 61.64 7i1b s THR 79 Cb -0.51 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.26 7i1b s THR 79 CO 0.60 -0.10 0.04 -0.22 -0.69 0.00 0.00 174.62 174.24 7i1b s LEU 80 N -2.90 3.78 0.02 4.42 2.96 -1.26 -2.15 118.68 123.54 7i1b s LEU 80 Ca 0.11 0.22 -0.22 0.00 -0.22 0.00 0.00 54.13 54.02 7i1b s LEU 80 Cb -0.01 -1.89 0.05 0.00 0.50 0.00 0.00 46.19 44.84 7i1b s LEU 80 CO -0.00 0.38 0.50 -1.58 -1.32 0.00 0.00 176.35 174.33 7i1b s GLN 81 N -0.94 0.96 -0.02 1.98 0.74 -0.87 -4.81 119.66 116.71 7i1b s GLN 81 Ca 0.14 -0.15 -0.15 0.00 0.05 0.00 0.00 55.36 55.25 7i1b s GLN 81 Cb -0.11 0.44 -0.05 0.00 1.10 0.00 0.00 33.01 34.38 7i1b s GLN 81 CO 0.03 -0.33 0.42 -0.51 -0.55 0.00 0.00 175.29 174.35 7i1b s LEU 82 N -1.72 4.44 -0.07 3.68 1.43 -1.26 -0.99 118.68 124.18 7i1b s LEU 82 Ca -0.08 0.93 -0.03 0.00 -1.03 0.00 0.00 54.13 53.92 7i1b s LEU 82 Cb -0.01 -2.60 0.04 0.00 0.03 0.00 0.00 46.19 43.65 7i1b s LEU 82 CO 0.01 0.27 0.15 -0.70 0.23 0.00 0.00 176.35 176.31 7i1b s GLU 83 N -0.75 0.06 -0.20 1.70 2.12 -1.01 -4.95 118.70 115.67 7i1b s GLU 83 Ca 0.24 0.47 -0.29 0.00 0.36 0.00 0.00 54.97 55.75 7i1b s GLU 83 Cb -0.16 -0.23 -0.03 0.00 0.26 0.00 0.00 34.13 33.96 7i1b s GLU 83 CO 0.13 -0.24 1.72 -1.12 -0.54 0.00 0.00 175.26 175.20 7i1b s SER 84 N 1.77 6.27 0.62 -1.70 0.01 -1.26 -2.11 113.70 117.30 7i1b s SER 84 Ca -0.03 1.74 -0.04 0.00 1.31 0.00 0.00 55.95 58.93 7i1b s SER 84 Cb -0.12 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.62 7i1b s SER 84 CO -0.06 -1.33 0.90 0.68 0.41 0.00 0.00 173.24 173.85 7i1b s VAL 85 N 5.50 2.81 -0.23 3.43 -7.23 -1.07 -4.96 120.40 118.66 7i1b s VAL 85 Ca 0.76 -0.32 -0.32 0.00 -1.81 0.00 0.00 61.98 60.29 7i1b s VAL 85 Cb -0.27 -3.14 -0.09 0.00 0.56 0.00 0.00 36.38 33.44 7i1b s VAL 85 CO 0.31 -0.13 2.14 -0.67 -0.31 0.00 0.00 175.10 176.44 7i1b n ASP 86 N -2.64 2.90 0.00 4.85 2.03 -1.26 -4.76 116.55 117.67 7i1b n ASP 86 Ca 0.07 0.46 0.03 0.00 0.52 0.00 0.00 54.79 55.86 7i1b n ASP 86 Cb 0.59 -1.41 0.14 0.00 -0.72 0.00 0.00 41.12 39.73 7i1b n ASP 86 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 7i1b n PRO 87 N 8.09 0.12 -0.11 -0.67 -0.02 -1.26 -2.02 135.00 139.12 7i1b n PRO 87 Ca 0.32 0.13 -0.16 0.00 -2.02 0.00 0.00 63.50 61.77 7i1b n PRO 87 Cb 0.33 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.21 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 -1.15 0.57 -0.07 -0.52 5.02 -1.26 -4.73 118.16 116.00 7i1b n LYS 88 Ca 0.03 0.13 -0.11 0.00 -2.02 0.00 0.00 58.31 56.34 7i1b n LYS 88 Cb 0.03 -1.45 -0.08 0.00 -0.02 0.00 0.00 35.03 33.51 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 -0.01 0.00 -3.77 4.39 4.21 -1.85 -3.46 115.58 115.08 7i1b h ASN 89 Ca -0.51 -0.47 -0.49 0.00 1.21 0.00 0.00 56.30 56.05 7i1b h ASN 89 Cb 1.78 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.96 7i1b h ASN 89 CO -0.08 0.97 0.14 -0.31 -1.29 0.00 0.00 177.43 176.85 7i1b s TYR 90 N -2.10 3.38 0.53 1.19 1.51 -0.85 -3.97 117.35 117.04 7i1b s TYR 90 Ca -0.16 1.30 -0.18 0.00 -1.01 0.00 0.00 57.07 57.02 7i1b s TYR 90 Cb 0.01 -2.60 -0.07 0.00 -0.11 0.00 0.00 41.96 39.20 7i1b s TYR 90 CO 0.42 0.08 1.03 -1.25 -1.11 0.00 0.00 175.55 174.72 7i1b s PRO 91 N -2.94 3.65 0.22 -1.71 0.04 -1.26 -4.61 135.00 128.38 7i1b s PRO 91 Ca 0.55 1.23 -0.06 0.00 0.04 0.00 0.00 61.00 62.75 7i1b s PRO 91 Cb -0.10 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 7i1b s PRO 91 CO 0.17 -0.54 0.29 0.21 0.04 0.00 0.00 177.00 177.17 7i1b s LYS 92 N -3.69 1.36 0.16 4.56 2.20 -1.25 -5.01 119.74 118.07 7i1b s LYS 92 Ca 0.64 -1.46 -0.14 0.00 -0.36 0.00 0.00 55.97 54.66 7i1b s LYS 92 Cb -0.15 0.36 0.06 0.00 -1.51 0.00 0.00 37.83 36.59 7i1b s LYS 92 CO 0.28 -0.51 1.76 -0.22 -0.36 0.00 0.00 175.35 176.30 7i1b h LYS 93 N 2.45 0.76 -5.90 4.03 3.64 -1.92 -3.43 116.57 116.20 7i1b h LYS 93 Ca -0.31 -0.10 -0.62 0.00 -1.27 0.00 0.00 60.65 58.34 7i1b h LYS 93 Cb 1.25 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.88 7i1b h LYS 93 CO 0.45 0.61 -0.47 0.21 -2.27 0.00 0.00 179.45 177.98 7i1b s LYS 94 N -5.78 3.47 -0.11 1.90 2.20 -1.26 -1.89 119.74 118.28 7i1b s LYS 94 Ca -0.13 -0.33 -0.09 0.00 -0.36 0.00 0.00 55.97 55.06 7i1b s LYS 94 Cb 0.12 -3.05 0.03 0.00 -1.51 0.00 0.00 37.83 33.43 7i1b s LYS 94 CO 0.77 0.62 0.28 -1.64 -0.36 0.00 0.00 175.35 175.02 7i1b s MET 95 N -2.25 0.31 0.61 4.03 -1.94 -1.26 -5.01 119.30 113.80 7i1b s MET 95 Ca 0.32 0.44 -0.18 0.00 -1.71 0.00 0.00 55.69 54.57 7i1b s MET 95 Cb -0.13 0.10 -0.06 0.00 2.01 0.00 0.00 34.83 36.75 7i1b s MET 95 CO 0.23 -0.07 0.77 -1.91 -0.01 0.00 0.00 175.02 174.03 7i1b n GLU 96 N 3.24 0.68 0.11 2.03 4.07 -1.26 -4.64 120.64 124.87 7i1b n GLU 96 Ca -0.16 0.27 0.20 0.00 -0.06 0.00 0.00 57.16 57.41 7i1b n GLU 96 Cb 0.57 -1.98 0.76 0.00 -0.06 0.00 0.00 31.44 30.73 7i1b n GLU 96 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 7i1b h LYS 97 N 0.27 0.00 -0.82 5.31 6.56 -1.92 0.51 116.57 126.48 7i1b h LYS 97 Ca -0.47 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.12 7i1b h LYS 97 Cb 1.38 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 33.00 7i1b h LYS 97 CO 0.48 0.00 0.50 0.00 -2.06 0.00 0.00 179.45 178.38 7i1b h ARG 98 N 0.00 1.10 -0.01 3.15 3.08 -1.86 -2.33 114.38 117.50 7i1b h ARG 98 Ca 0.17 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.13 7i1b h ARG 98 Cb 0.95 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.76 7i1b h ARG 98 CO -0.00 0.76 -0.43 1.19 -1.07 0.00 0.00 179.97 180.41 7i1b n PHE 99 N -4.38 0.00 -3.31 3.04 3.72 0.12 -2.19 117.46 114.46 7i1b n PHE 99 Ca 0.09 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.11 7i1b n PHE 99 Cb 0.06 -0.05 -0.06 0.00 -0.94 0.00 0.00 39.48 38.48 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 -2.54 5.07 -0.04 -4.37 1.01 -0.88 -4.40 120.40 114.25 7i1b s VAL 100 Ca 0.20 1.03 0.04 0.00 0.00 0.00 0.00 61.98 63.24 7i1b s VAL 100 Cb 0.18 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.73 7i1b s VAL 100 CO 0.58 0.40 -0.15 -0.36 0.00 0.00 0.00 175.10 175.56 7i1b s PHE 101 N 0.09 1.58 -0.54 5.22 0.40 -0.88 -2.17 117.98 121.68 7i1b s PHE 101 Ca 0.27 -0.47 -0.28 0.00 -0.60 0.00 0.00 56.93 55.86 7i1b s PHE 101 Cb -0.16 -1.08 0.03 0.00 0.51 0.00 0.00 43.02 42.31 7i1b s PHE 101 CO 0.13 -0.18 1.12 -0.80 0.70 0.00 0.00 175.22 176.19 7i1b s ASN 102 N 0.15 6.48 -0.41 1.36 0.02 -0.29 -1.81 114.94 120.45 7i1b s ASN 102 Ca -0.05 0.13 -0.29 0.00 -1.02 0.00 0.00 52.86 51.62 7i1b s ASN 102 Cb -0.12 -2.53 0.02 0.00 0.02 0.00 0.00 41.25 38.64 7i1b s ASN 102 CO 0.02 -1.35 1.24 -0.75 0.02 0.00 0.00 177.10 176.29 7i1b s LYS 103 N 4.57 3.75 0.39 -0.60 2.47 -1.00 -2.63 119.74 126.70 7i1b s LYS 103 Ca 0.42 0.86 0.06 0.00 -1.56 0.00 0.00 55.97 55.75 7i1b s LYS 103 Cb -0.08 -3.92 -0.08 0.00 -1.46 0.00 0.00 37.83 32.29 7i1b s LYS 103 CO 0.26 -1.34 0.02 0.42 0.16 0.00 0.00 175.35 174.87 7i1b s ILE 104 N 4.64 1.82 -0.07 5.43 1.01 -0.93 -1.89 121.20 131.21 7i1b s ILE 104 Ca 0.53 -2.01 0.02 0.00 0.00 0.00 0.00 60.65 59.20 7i1b s ILE 104 Cb -0.11 -2.94 0.01 0.00 0.01 0.00 0.00 42.46 39.43 7i1b s ILE 104 CO 0.29 -0.01 -0.13 -1.61 0.00 0.00 0.00 174.94 173.48 7i1b s GLU 105 N -3.75 1.77 -0.07 2.79 2.02 -1.26 -2.16 118.70 118.03 7i1b s GLU 105 Ca 0.35 -0.44 -0.03 0.00 0.02 0.00 0.00 54.97 54.88 7i1b s GLU 105 Cb 0.09 -1.45 0.04 0.00 0.10 0.00 0.00 34.13 32.91 7i1b s GLU 105 CO 0.17 0.04 0.07 0.42 0.02 0.00 0.00 175.26 175.98 7i1b s ILE 106 N 0.64 -0.11 -1.41 -1.63 -1.09 0.57 -4.86 121.20 113.31 7i1b s ILE 106 Ca -0.15 0.29 -0.07 0.00 -2.23 0.00 0.00 60.65 58.49 7i1b s ILE 106 Cb -0.16 -0.25 0.04 0.00 -1.58 0.00 0.00 42.46 40.51 7i1b s ILE 106 CO 0.04 0.07 0.92 -3.20 -1.23 0.00 0.00 174.94 171.55 7i1b n ASN 107 N 5.30 -3.61 -0.15 3.58 5.15 -1.26 -0.26 115.26 124.01 7i1b n ASN 107 Ca -0.04 -0.74 -0.02 0.00 -0.60 0.00 0.00 54.58 53.18 7i1b n ASN 107 Cb 0.50 -4.21 -0.01 0.00 -0.53 0.00 0.00 39.78 35.53 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 -2.96 -4.58 -4.71 1.20 2.85 -1.26 -4.98 115.26 100.82 7i1b n ASN 108 Ca -0.10 0.05 -0.26 0.00 -0.11 0.00 0.00 54.58 54.16 7i1b n ASN 108 Cb 0.59 -2.25 -0.08 0.00 1.24 0.00 0.00 39.78 39.28 7i1b n ASN 108 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 7i1b s LYS 109 N -1.41 2.14 0.17 1.20 1.02 0.64 -5.02 119.74 118.48 7i1b s LYS 109 Ca 0.00 -1.94 0.05 0.00 0.02 0.00 0.00 55.97 54.10 7i1b s LYS 109 Cb 0.00 -1.87 -0.04 0.00 -0.52 0.00 0.00 37.83 35.40 7i1b s LYS 109 CO 0.00 -0.11 0.13 -0.51 -0.92 0.00 0.00 175.35 173.93 7i1b s LEU 110 N -3.85 3.76 -0.19 3.17 1.43 0.43 -0.32 118.68 123.11 7i1b s LEU 110 Ca 0.38 -0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.28 7i1b s LEU 110 Cb 0.06 -2.37 0.09 0.00 0.03 0.00 0.00 46.19 43.99 7i1b s LEU 110 CO 0.21 0.07 0.21 -0.70 0.23 0.00 0.00 176.35 176.36 7i1b s GLU 111 N -3.11 0.17 -0.38 1.70 2.56 -0.92 -1.00 118.70 117.72 7i1b s GLU 111 Ca 0.31 0.22 -0.17 0.00 0.00 0.00 0.00 54.97 55.33 7i1b s GLU 111 Cb -0.10 -1.17 0.00 0.00 2.00 0.00 0.00 34.13 34.86 7i1b s GLU 111 CO 0.23 -0.62 0.43 -0.06 -0.56 0.00 0.00 175.26 174.67 7i1b s PHE 112 N 2.31 3.18 -0.07 5.30 0.08 -1.26 -2.19 117.98 125.33 7i1b s PHE 112 Ca 0.06 -0.14 -0.05 0.00 0.12 0.00 0.00 56.93 56.92 7i1b s PHE 112 Cb -0.15 -2.82 -0.04 0.00 -0.57 0.00 0.00 43.02 39.43 7i1b s PHE 112 CO -0.11 -0.57 0.15 -2.00 -0.10 0.00 0.00 175.22 172.58 7i1b s GLU 113 N 2.15 3.42 -0.50 0.44 2.12 -1.08 -2.38 118.70 122.87 7i1b s GLU 113 Ca 0.13 -0.22 -0.28 0.00 0.36 0.00 0.00 54.97 54.97 7i1b s GLU 113 Cb -0.16 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.09 7i1b s GLU 113 CO 0.13 0.73 1.54 0.45 -0.54 0.00 0.00 175.26 177.57 7i1b s SER 114 N -1.39 6.01 0.61 -1.70 0.15 -0.37 -1.14 113.70 115.87 7i1b s SER 114 Ca 0.20 0.56 0.18 0.00 0.70 0.00 0.00 55.95 57.58 7i1b s SER 114 Cb -0.12 -2.54 0.97 0.00 -1.71 0.00 0.00 66.02 62.62 7i1b s SER 114 CO 0.10 -1.75 1.52 0.00 1.20 0.00 0.00 173.24 174.31 7i1b h ALA 115 N 11.82 1.52 0.00 5.45 0.00 -1.60 0.73 119.26 137.18 7i1b h ALA 115 Ca -0.28 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 7i1b h ALA 115 Cb 1.12 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 7i1b h ALA 115 CO 1.14 -0.52 -0.44 0.37 0.00 0.00 0.00 179.25 179.81 7i1b h GLN 116 N 0.00 0.00 -3.79 0.00 -0.00 -1.79 -3.42 115.11 106.11 7i1b h GLN 116 Ca 0.00 0.00 -0.69 0.00 -0.00 0.00 0.00 58.65 57.96 7i1b h GLN 116 Cb 1.09 0.00 -0.35 0.00 0.00 0.00 0.00 27.48 28.21 7i1b h GLN 116 CO 0.00 0.92 -0.42 -0.06 0.00 0.00 0.00 178.83 179.27 7i1b s PHE 117 N -2.23 3.44 0.63 3.99 0.08 0.25 -5.09 117.98 119.05 7i1b s PHE 117 Ca -0.21 -2.67 -0.19 0.00 0.12 0.00 0.00 56.93 53.98 7i1b s PHE 117 Cb 0.00 -3.19 -0.02 0.00 -0.57 0.00 0.00 43.02 39.25 7i1b s PHE 117 CO 0.61 -0.87 1.30 -2.14 -0.10 0.00 0.00 175.22 174.02 7i1b s PRO 118 N 0.20 2.66 0.00 0.24 0.02 -1.22 -2.25 135.00 134.65 7i1b s PRO 118 Ca 0.15 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.25 7i1b s PRO 118 Cb -0.21 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.40 7i1b s PRO 118 CO -0.03 -1.52 0.00 0.09 -0.33 0.00 0.00 177.00 175.21 7i1b n ASN 119 N -1.76 0.00 -4.42 2.53 5.03 -1.26 -5.01 115.26 110.36 7i1b n ASN 119 Ca 0.15 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.27 7i1b n ASN 119 Cb 0.48 0.00 -0.13 0.00 -1.02 0.00 0.00 39.78 39.10 7i1b n ASN 119 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 7i1b s TRP 120 N -2.90 2.92 0.40 3.10 0.52 -0.95 -4.63 118.94 117.40 7i1b s TRP 120 Ca 0.00 -0.51 0.03 0.00 0.02 0.00 0.00 56.10 55.64 7i1b s TRP 120 Cb 0.00 -1.92 -0.03 0.00 -1.15 0.00 0.00 33.47 30.37 7i1b s TRP 120 CO 0.00 -0.16 0.10 0.71 0.02 0.00 0.00 176.95 177.61 7i1b s TYR 121 N 0.46 1.85 -0.00 -1.98 1.51 -1.01 -1.23 117.35 116.94 7i1b s TYR 121 Ca -0.06 -1.16 -0.30 0.00 -1.01 0.00 0.00 57.07 54.54 7i1b s TYR 121 Cb -0.15 -1.25 -0.04 0.00 -0.11 0.00 0.00 41.96 40.41 7i1b s TYR 121 CO 0.04 -0.15 1.20 0.42 -1.11 0.00 0.00 175.55 175.94 7i1b s ILE 122 N -3.19 4.17 0.14 2.71 1.01 -1.00 -1.94 121.20 123.10 7i1b s ILE 122 Ca 0.25 1.53 0.07 0.00 0.00 0.00 0.00 60.65 62.51 7i1b s ILE 122 Cb 0.04 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 7i1b s ILE 122 CO 0.13 0.05 -0.17 -0.44 0.00 0.00 0.00 174.94 174.52 7i1b s SER 123 N 1.31 2.39 0.18 3.58 0.01 -0.27 -4.40 113.70 116.51 7i1b s SER 123 Ca 0.57 -0.81 0.07 0.00 1.31 0.00 0.00 55.95 57.09 7i1b s SER 123 Cb -0.27 -0.12 -0.04 0.00 0.21 0.00 0.00 66.02 65.80 7i1b s SER 123 CO 0.25 -0.06 -0.15 0.42 0.41 0.00 0.00 173.24 174.11 7i1b s THR 124 N -1.94 1.65 -0.27 1.44 -4.23 -0.88 -2.66 115.64 108.75 7i1b s THR 124 Ca 0.12 -2.07 -0.14 0.00 -1.18 0.00 0.00 61.69 58.41 7i1b s THR 124 Cb -0.06 -1.91 -0.04 0.00 1.34 0.00 0.00 72.50 71.83 7i1b s THR 124 CO 0.05 -0.53 0.34 -0.55 -0.54 0.00 0.00 174.62 173.39 7i1b s SER 125 N -3.05 6.23 0.55 3.99 0.15 -1.26 -2.74 113.70 117.56 7i1b s SER 125 Ca 0.19 0.25 0.38 0.00 0.70 0.00 0.00 55.95 57.47 7i1b s SER 125 Cb -0.02 -2.19 1.56 0.00 -1.71 0.00 0.00 66.02 63.65 7i1b s SER 125 CO 0.06 -0.15 1.77 -0.61 1.20 0.00 0.00 173.24 175.51 7i1b h GLN 126 N 8.12 0.00 -6.45 5.44 5.75 -1.98 -3.41 115.11 122.58 7i1b h GLN 126 Ca -0.33 0.00 -0.52 0.00 -0.15 0.00 0.00 58.65 57.65 7i1b h GLN 126 Cb 1.17 0.00 0.23 0.00 1.07 0.00 0.00 27.48 29.95 7i1b h GLN 126 CO 0.63 0.00 -1.23 0.00 -2.65 0.00 0.00 178.83 175.58 7i1b n ALA 127 N -2.76 -4.01 -2.46 3.38 0.00 -1.26 -4.91 120.51 108.48 7i1b n ALA 127 Ca 0.27 -0.78 -0.38 0.00 0.00 0.00 0.00 53.44 52.54 7i1b n ALA 127 Cb 1.32 -1.47 -0.06 0.00 0.00 0.00 0.00 19.45 19.25 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 -2.95 4.23 -0.43 0.00 2.02 -1.26 -4.54 118.70 115.76 7i1b s GLU 128 Ca 0.50 0.65 -0.20 0.00 0.02 0.00 0.00 54.97 55.93 7i1b s GLU 128 Cb -0.16 -3.31 0.03 0.00 0.10 0.00 0.00 34.13 30.79 7i1b s GLU 128 CO 0.72 0.47 0.60 0.09 0.02 0.00 0.00 175.26 177.16 7i1b n ASN 129 N 2.43 -7.46 -3.78 -0.19 4.13 -1.26 -5.05 115.26 104.08 7i1b n ASN 129 Ca -0.09 0.41 -0.13 0.00 1.68 0.00 0.00 54.58 56.46 7i1b n ASN 129 Cb 0.51 -4.63 -0.13 0.00 -1.54 0.00 0.00 39.78 34.00 7i1b n ASN 129 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 7i1b s MET 130 N -2.55 0.18 0.66 3.52 1.75 -1.26 -5.01 119.30 116.58 7i1b s MET 130 Ca 0.27 0.32 -0.17 0.00 -1.25 0.00 0.00 55.69 54.85 7i1b s MET 130 Cb -0.06 0.00 -0.01 0.00 2.84 0.00 0.00 34.83 37.60 7i1b s MET 130 CO 0.79 -0.08 1.18 -0.35 -0.65 0.00 0.00 175.02 175.91 7i1b n PRO 131 N 3.46 0.93 -1.89 4.11 -0.04 -1.26 -2.75 135.00 137.56 7i1b n PRO 131 Ca -0.18 0.37 -0.30 0.00 -0.04 0.00 0.00 63.50 63.35 7i1b n PRO 131 Cb 0.56 -2.42 0.04 0.00 -0.04 0.00 0.00 33.50 31.64 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 -1.51 3.79 0.22 0.52 1.01 -1.01 -4.70 120.40 118.72 7i1b s VAL 132 Ca 0.80 0.57 -0.21 0.00 0.00 0.00 0.00 61.98 63.14 7i1b s VAL 132 Cb -0.38 -3.57 0.07 0.00 0.00 0.00 0.00 36.38 32.50 7i1b s VAL 132 CO 0.43 -0.75 0.98 0.72 0.00 0.00 0.00 175.10 176.48 7i1b s PHE 133 N -3.31 0.07 -0.21 5.22 -0.71 -1.09 -4.86 117.98 113.08 7i1b s PHE 133 Ca 0.57 -0.52 -0.10 0.00 -1.04 0.00 0.00 56.93 55.85 7i1b s PHE 133 Cb -0.11 0.73 -0.05 0.00 -1.21 0.00 0.00 43.02 42.38 7i1b s PHE 133 CO 0.52 -1.05 0.14 -1.17 -1.34 0.00 0.00 175.22 172.32 7i1b s LEU 134 N -3.31 4.16 0.06 -1.99 2.96 -1.26 -1.12 118.68 118.19 7i1b s LEU 134 Ca 0.20 0.19 0.05 0.00 -0.22 0.00 0.00 54.13 54.35 7i1b s LEU 134 Cb -0.03 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 7i1b s LEU 134 CO 0.06 0.14 -0.15 -0.83 -1.32 0.00 0.00 176.35 174.26 7i1b s GLY 135 N 0.57 0.89 -0.79 7.98 0.00 -0.82 -4.61 107.32 110.55 7i1b s GLY 135 Ca 0.08 -0.98 -0.00 0.00 0.00 0.00 0.00 44.72 43.82 7i1b s GLY 135 CO 0.00 -0.98 1.77 0.61 0.00 0.00 0.00 173.10 174.50 7i1b n GLY 136 N 1.47 5.72 2.74 0.20 0.00 -1.26 -2.40 105.19 111.66 7i1b n GLY 136 Ca -0.20 -2.57 -0.30 0.00 0.00 0.00 0.00 46.02 42.96 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 -5.01 1.32 -0.52 2.61 2.01 -1.26 -5.01 115.64 109.78 7i1b s THR 137 Ca 0.49 -2.22 -0.26 0.00 0.31 0.00 0.00 61.69 60.01 7i1b s THR 137 Cb 0.38 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 7i1b s THR 137 CO -0.32 -0.81 2.12 -0.54 -0.69 0.00 0.00 174.62 174.39 7i1b s LYS 138 N 0.75 2.44 7.93 4.92 1.02 -1.26 -4.61 119.74 130.93 7i1b s LYS 138 Ca 0.15 1.08 0.00 0.00 0.02 0.00 0.00 55.97 57.22 7i1b s LYS 138 Cb -0.22 -4.47 0.00 0.00 -0.52 0.00 0.00 37.83 32.62 7i1b s LYS 138 CO -0.07 -2.91 0.00 0.41 -0.92 0.00 0.00 175.35 171.86 7i1b n GLY 139 N 5.83 2.75 7.00 -3.33 0.00 -1.26 -4.94 105.19 111.24 7i1b n GLY 139 Ca 0.28 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 4.19 0.08 -0.02 0.00 -1.26 -2.64 105.19 105.53 7i1b n GLY 140 Ca 0.00 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 13.23 1.24 -2.54 1.61 0.00 -1.26 -4.97 117.38 124.68 7i1b n GLN 141 Ca 0.00 0.01 -0.35 0.00 -0.00 0.00 0.00 57.00 56.67 7i1b n GLN 141 Cb 0.00 -1.41 -0.04 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 -5.14 6.47 -0.62 1.69 1.11 -1.08 -4.79 116.67 114.31 7i1b s ASP 142 Ca -0.11 1.97 -0.20 0.00 0.18 0.00 0.00 52.55 54.38 7i1b s ASP 142 Cb 0.05 -2.57 0.09 0.00 1.07 0.00 0.00 42.92 41.56 7i1b s ASP 142 CO 0.62 -0.69 0.81 -0.63 1.18 0.00 0.00 175.17 176.46 7i1b s ILE 143 N -1.88 4.62 -0.13 0.77 1.01 -1.11 -4.38 121.20 120.10 7i1b s ILE 143 Ca 0.64 -0.75 0.20 0.00 0.00 0.00 0.00 60.65 60.74 7i1b s ILE 143 Cb -0.18 -4.57 -0.19 0.00 0.01 0.00 0.00 42.46 37.53 7i1b s ILE 143 CO 0.22 -1.26 0.65 0.35 0.00 0.00 0.00 174.94 174.90 7i1b n THR 144 N 5.70 0.76 -1.62 2.92 -2.24 -1.26 -2.06 114.28 116.48 7i1b n THR 144 Ca -0.07 -0.63 -0.30 0.00 -2.27 0.00 0.00 64.05 60.77 7i1b n THR 144 Cb 0.44 -0.40 0.08 0.00 -2.10 0.00 0.00 70.33 68.34 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 -5.28 4.79 0.31 3.42 1.47 -1.26 -4.61 116.67 115.50 7i1b s ASP 145 Ca -0.05 1.31 -0.06 0.00 1.18 0.00 0.00 52.55 54.93 7i1b s ASP 145 Cb 0.10 -2.08 0.03 0.00 -0.34 0.00 0.00 42.92 40.63 7i1b s ASP 145 CO 0.84 -1.78 0.52 0.49 0.68 0.00 0.00 175.17 175.92 7i1b n PHE 146 N -3.31 -1.67 -3.62 2.11 3.01 -0.17 -4.23 117.46 109.58 7i1b n PHE 146 Ca 0.07 -1.76 -0.10 0.00 1.01 0.00 0.00 57.45 56.66 7i1b n PHE 146 Cb 0.56 0.60 -0.11 0.00 -0.01 0.00 0.00 39.48 40.52 7i1b n PHE 146 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 7i1b s THR 147 N -2.53 -0.56 0.15 4.37 -4.23 0.58 -0.43 115.64 112.99 7i1b s THR 147 Ca 0.19 0.17 -0.02 0.00 -1.18 0.00 0.00 61.69 60.85 7i1b s THR 147 Cb -0.02 -0.61 -0.05 0.00 1.34 0.00 0.00 72.50 73.16 7i1b s THR 147 CO 0.14 0.06 0.35 -0.32 -0.54 0.00 0.00 174.62 174.31 7i1b s MET 148 N 2.54 3.55 -0.14 3.99 1.75 -1.26 -1.37 119.30 128.36 7i1b s MET 148 Ca 0.01 -0.24 -0.02 0.00 -1.25 0.00 0.00 55.69 54.20 7i1b s MET 148 Cb -0.12 -2.88 0.04 0.00 2.84 0.00 0.00 34.83 34.71 7i1b s MET 148 CO -0.12 0.47 -0.00 -1.14 -0.65 0.00 0.00 175.02 173.58 7i1b s GLN 149 N -2.87 0.87 0.15 4.11 0.74 -1.07 -4.99 119.66 116.60 7i1b s GLN 149 Ca 0.39 -0.23 -0.30 0.00 0.05 0.00 0.00 55.36 55.27 7i1b s GLN 149 Cb -0.12 -1.63 -0.07 0.00 1.10 0.00 0.00 33.01 32.29 7i1b s GLN 149 CO 0.27 -0.44 1.14 -0.06 -0.55 0.00 0.00 175.29 175.65 7i1b s PHE 150 N 1.84 3.52 0.51 1.67 0.08 -1.26 -2.37 117.98 121.98 7i1b s PHE 150 Ca 0.02 1.50 -0.01 0.00 0.12 0.00 0.00 56.93 58.56 7i1b s PHE 150 Cb -0.15 -3.34 0.01 0.00 -0.57 0.00 0.00 43.02 38.98 7i1b s PHE 150 CO -0.07 -0.87 0.75 0.14 -0.10 0.00 0.00 175.22 175.08 7i1b s VAL 151 N 0.13 3.50 0.28 -0.44 -7.23 -1.24 -4.98 120.40 110.42 7i1b s VAL 151 Ca 0.52 -0.45 -0.05 0.00 -1.81 0.00 0.00 61.98 60.20 7i1b s VAL 151 Cb -0.30 -3.32 -0.01 0.00 0.56 0.00 0.00 36.38 33.31 7i1b s VAL 151 CO 0.34 -0.25 0.39 -0.55 -0.31 0.00 0.00 175.10 174.71 7i1b s SER 152 N -4.30 0.50 0.00 4.85 0.15 -1.26 -4.97 113.70 108.68 7i1b s SER 152 Ca 0.52 -1.32 0.00 0.00 0.70 0.00 0.00 55.95 55.85 7i1b s SER 152 Cb -0.10 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 7i1b s SER 152 CO 0.40 -1.13 0.00 -0.24 1.20 0.00 0.00 173.24 173.46