#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 0.55 -1.03 0.00 -0.04 -1.26 -4.70 135.00 128.52 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 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 1.10 0.00 -3.64 0.52 0.31 -1.26 -4.81 118.33 110.54 7i1b n VAL 3 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 7i1b n VAL 3 Cb 0.28 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 33.03 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 -0.55 -0.02 0.87 5.55 0.52 -1.26 -5.10 118.95 118.96 7i1b s ARG 4 Ca 0.00 0.21 -0.10 0.00 -0.52 0.00 0.00 55.73 55.33 7i1b s ARG 4 Cb 0.00 -1.01 0.17 0.00 0.52 0.00 0.00 34.95 34.63 7i1b s ARG 4 CO 0.00 -0.46 1.19 -1.12 0.02 0.00 0.00 175.30 174.93 7i1b s SER 5 N 2.17 3.61 -0.27 0.23 0.01 -1.26 -3.41 113.70 114.78 7i1b s SER 5 Ca 0.04 0.01 -0.00 0.00 1.31 0.00 0.00 55.95 57.30 7i1b s SER 5 Cb -0.14 -0.18 0.16 0.00 0.21 0.00 0.00 66.02 66.07 7i1b s SER 5 CO -0.06 -2.38 0.44 -0.22 0.41 0.00 0.00 173.24 171.43 7i1b s LEU 6 N -5.59 -0.89 -0.14 2.44 2.96 0.25 -4.92 118.68 112.79 7i1b s LEU 6 Ca 0.71 0.16 -0.29 0.00 -0.22 0.00 0.00 54.13 54.49 7i1b s LEU 6 Cb -0.04 1.37 -0.02 0.00 0.50 0.00 0.00 46.19 47.99 7i1b s LEU 6 CO 0.49 -0.31 1.28 0.20 -1.32 0.00 0.00 176.35 176.70 7i1b s ASN 7 N 2.62 6.94 0.00 3.68 0.01 -1.26 -0.64 114.94 126.30 7i1b s ASN 7 Ca 0.13 1.75 -0.27 0.00 -0.71 0.00 0.00 52.86 53.76 7i1b s ASN 7 Cb -0.14 -2.54 0.06 0.00 0.41 0.00 0.00 41.25 39.04 7i1b s ASN 7 CO -0.22 -0.75 0.61 0.00 -1.51 0.00 0.00 177.10 175.24 7i1b s THR 9 N -1.81 2.48 -0.02 0.00 -4.23 -0.76 -1.98 115.64 109.31 7i1b s THR 9 Ca -0.08 -0.76 0.01 0.00 -1.18 0.00 0.00 61.69 59.67 7i1b s THR 9 Cb -0.01 -2.72 0.01 0.00 1.34 0.00 0.00 72.50 71.13 7i1b s THR 9 CO 0.04 0.00 -0.01 -0.76 -0.54 0.00 0.00 174.62 173.35 7i1b s LEU 10 N -4.79 1.52 0.08 4.79 1.43 -1.26 -2.41 118.68 118.04 7i1b s LEU 10 Ca 0.60 -0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.72 7i1b s LEU 10 Cb -0.08 -0.16 -0.03 0.00 0.03 0.00 0.00 46.19 45.95 7i1b s LEU 10 CO 0.39 -0.05 -0.12 -0.13 0.23 0.00 0.00 176.35 176.67 7i1b s ARG 11 N 0.56 0.80 0.35 1.70 0.52 0.28 -3.42 118.95 119.75 7i1b s ARG 11 Ca -0.05 -1.00 -0.04 0.00 -0.52 0.00 0.00 55.73 54.12 7i1b s ARG 11 Cb -0.08 -0.70 0.08 0.00 0.52 0.00 0.00 34.95 34.77 7i1b s ARG 11 CO -0.01 0.14 0.48 -0.40 0.02 0.00 0.00 175.30 175.53 7i1b n ASP 12 N 1.08 0.24 0.20 0.23 5.75 -0.75 0.75 116.55 124.06 7i1b n ASP 12 Ca -0.20 -1.30 0.14 0.00 -0.01 0.00 0.00 54.79 53.42 7i1b n ASP 12 Cb 0.55 -0.35 0.46 0.00 -1.03 0.00 0.00 41.12 40.75 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 -0.52 0.00 -0.03 -1.12 4.64 -1.88 -2.69 113.55 111.95 7i1b h SER 13 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 7i1b h SER 13 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 7i1b h SER 13 CO 0.13 0.00 0.00 1.67 -0.87 0.00 0.00 176.83 177.76 7i1b n GLN 14 N -2.79 1.65 -0.73 4.77 -0.06 -1.26 -4.91 117.38 114.05 7i1b n GLN 14 Ca 0.03 -0.95 0.00 0.00 -2.00 0.00 0.00 57.00 54.07 7i1b n GLN 14 Cb 0.38 -1.47 0.00 0.00 -4.06 0.00 0.00 30.24 25.09 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 0.16 0.00 -2.51 3.69 7.27 -1.01 -5.03 117.38 119.95 7i1b n GLN 15 Ca 0.19 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.85 7i1b n GLN 15 Cb 0.35 -2.01 -0.04 0.00 2.41 0.00 0.00 30.24 30.94 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 -0.27 4.64 0.27 3.69 1.02 -1.26 -4.69 119.74 123.15 7i1b s LYS 16 Ca 0.00 1.76 0.04 0.00 0.02 0.00 0.00 55.97 57.79 7i1b s LYS 16 Cb 0.00 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 34.06 7i1b s LYS 16 CO 0.00 0.19 0.41 -1.12 -0.92 0.00 0.00 175.35 173.91 7i1b s SER 17 N -0.66 6.26 -0.11 2.83 0.01 -0.84 -1.80 113.70 119.38 7i1b s SER 17 Ca 0.46 0.09 -0.17 0.00 1.31 0.00 0.00 55.95 57.64 7i1b s SER 17 Cb -0.31 -1.79 -0.04 0.00 0.21 0.00 0.00 66.02 64.09 7i1b s SER 17 CO 0.38 -0.17 0.44 -0.76 0.41 0.00 0.00 173.24 173.54 7i1b s LEU 18 N -4.07 4.29 0.04 2.44 1.43 -1.22 -2.52 118.68 119.07 7i1b s LEU 18 Ca 0.37 0.78 0.07 0.00 -1.03 0.00 0.00 54.13 54.31 7i1b s LEU 18 Cb -0.09 -2.63 -0.02 0.00 0.03 0.00 0.00 46.19 43.48 7i1b s LEU 18 CO 0.30 0.05 -0.19 0.68 0.23 0.00 0.00 176.35 177.43 7i1b s VAL 19 N 0.40 1.51 -1.06 -1.59 -7.23 0.09 -2.58 120.40 109.94 7i1b s VAL 19 Ca 0.24 -1.11 -0.22 0.00 -1.81 0.00 0.00 61.98 59.08 7i1b s VAL 19 Cb -0.15 -1.32 0.06 0.00 0.56 0.00 0.00 36.38 35.53 7i1b s VAL 19 CO 0.09 0.17 1.48 0.00 -0.31 0.00 0.00 175.10 176.53 7i1b s MET 20 N -1.11 3.66 0.23 4.82 0.23 -1.26 -0.18 119.30 125.69 7i1b s MET 20 Ca 0.06 -1.31 0.25 0.00 -1.03 0.00 0.00 55.69 53.66 7i1b s MET 20 Cb -0.08 -5.36 0.90 0.00 -1.53 0.00 0.00 34.83 28.76 7i1b s MET 20 CO 0.01 -2.19 1.75 0.45 -2.03 0.00 0.00 175.02 173.01 7i1b n SER 21 N 8.65 0.74 -3.16 -1.18 2.88 -1.14 -4.87 113.62 115.55 7i1b n SER 21 Ca 0.35 0.62 -0.11 0.00 -1.33 0.00 0.00 58.87 58.40 7i1b n SER 21 Cb 0.50 -0.80 -0.01 0.00 -0.75 0.00 0.00 64.21 63.15 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 -3.56 0.79 0.04 0.46 0.00 -0.96 -5.00 107.32 99.10 7i1b s GLY 22 Ca 0.07 -1.03 -0.25 0.00 0.00 0.00 0.00 44.72 43.52 7i1b s GLY 22 CO 0.49 -0.58 1.37 -2.55 0.00 0.00 0.00 173.10 171.83 7i1b h PRO 23 N 2.06 -0.79 -0.78 2.90 0.11 -2.02 -3.19 132.00 130.28 7i1b h PRO 23 Ca -0.30 0.05 -0.47 0.00 0.11 0.00 0.00 66.00 65.39 7i1b h PRO 23 Cb 1.25 0.18 -0.26 0.00 0.11 0.00 0.00 31.00 32.27 7i1b h PRO 23 CO 0.39 -0.53 0.31 0.66 -0.21 0.00 0.00 178.00 178.61 7i1b n TYR 24 N -4.42 2.51 -3.85 0.65 4.01 -1.26 -4.95 117.16 109.85 7i1b n TYR 24 Ca -0.10 -2.18 -0.12 0.00 -0.16 0.00 0.00 57.90 55.34 7i1b n TYR 24 Cb 0.34 -0.88 -0.13 0.00 -0.31 0.00 0.00 39.34 38.35 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 -3.48 0.08 0.18 -0.72 2.02 -1.21 -4.41 118.70 111.16 7i1b s GLU 25 Ca 0.55 0.07 0.09 0.00 0.02 0.00 0.00 54.97 55.69 7i1b s GLU 25 Cb 0.46 0.04 -0.04 0.00 0.10 0.00 0.00 34.13 34.68 7i1b s GLU 25 CO 0.03 -0.01 -0.18 -0.51 0.02 0.00 0.00 175.26 174.61 7i1b s LEU 26 N -0.01 2.47 -0.01 1.80 1.43 -1.26 -2.27 118.68 120.83 7i1b s LEU 26 Ca -0.00 -0.90 0.01 0.00 -1.03 0.00 0.00 54.13 52.20 7i1b s LEU 26 Cb -0.01 -0.83 0.01 0.00 0.03 0.00 0.00 46.19 45.39 7i1b s LEU 26 CO 0.00 -0.05 -0.02 -0.54 0.23 0.00 0.00 176.35 175.98 7i1b s LYS 27 N -3.01 0.23 -0.28 1.70 1.02 0.74 -2.32 119.74 117.83 7i1b s LYS 27 Ca 0.18 -0.04 -0.11 0.00 0.02 0.00 0.00 55.97 56.03 7i1b s LYS 27 Cb -0.05 -0.29 -0.05 0.00 -0.52 0.00 0.00 37.83 36.93 7i1b s LYS 27 CO 0.07 -0.01 0.18 0.00 -0.92 0.00 0.00 175.35 174.67 7i1b s ALA 28 N 0.29 3.48 0.32 5.17 0.00 -1.08 -0.73 121.76 129.21 7i1b s ALA 28 Ca -0.03 -1.10 -0.05 0.00 0.00 0.00 0.00 51.96 50.78 7i1b s ALA 28 Cb -0.05 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.63 7i1b s ALA 28 CO -0.01 -0.55 0.47 -0.48 0.00 0.00 0.00 175.76 175.19 7i1b s LEU 29 N 1.74 0.84 -0.42 0.00 0.05 -1.05 -3.78 118.68 116.07 7i1b s LEU 29 Ca 0.07 -1.36 -0.29 0.00 0.05 0.00 0.00 54.13 52.60 7i1b s LEU 29 Cb -0.16 1.51 0.01 0.00 -2.05 0.00 0.00 46.19 45.51 7i1b s LEU 29 CO 0.10 -1.26 1.38 -1.00 -0.55 0.00 0.00 176.35 175.03 7i1b s HIS 30 N -3.28 2.44 -0.15 3.48 3.76 -1.26 -1.98 115.29 118.30 7i1b s HIS 30 Ca 0.29 0.68 0.00 0.00 -0.15 0.00 0.00 55.06 55.88 7i1b s HIS 30 Cb -0.00 -4.32 -0.00 0.00 1.11 0.00 0.00 32.58 29.37 7i1b s HIS 30 CO 0.17 -1.91 -0.16 -1.17 -0.85 0.00 0.00 174.74 170.82 7i1b s LEU 31 N 5.33 2.45 0.13 0.89 2.96 -1.26 -4.99 118.68 124.20 7i1b s LEU 31 Ca 0.60 -0.48 -0.24 0.00 -0.22 0.00 0.00 54.13 53.79 7i1b s LEU 31 Cb -0.13 -1.56 0.07 0.00 0.50 0.00 0.00 46.19 45.08 7i1b s LEU 31 CO 0.32 0.08 0.62 -1.58 -1.32 0.00 0.00 176.35 174.47 7i1b s GLN 32 N 0.82 1.24 1.04 1.98 0.74 -1.26 -4.88 119.66 119.35 7i1b s GLN 32 Ca -0.05 -0.39 0.00 0.00 0.05 0.00 0.00 55.36 54.97 7i1b s GLN 32 Cb -0.15 0.57 0.00 0.00 1.10 0.00 0.00 33.01 34.53 7i1b s GLN 32 CO -0.00 -0.53 0.00 0.41 -0.55 0.00 0.00 175.29 174.61 7i1b n GLY 33 N -0.25 -1.96 0.41 2.59 0.00 -1.26 -3.86 105.19 100.87 7i1b n GLY 33 Ca -0.17 -1.49 0.23 0.00 0.00 0.00 0.00 46.02 44.60 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 0.00 0.00 1.61 -0.00 -2.06 0.31 115.11 114.97 7i1b h GLN 34 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 7i1b h GLN 34 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 7i1b h GLN 34 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 178.83 175.36 7i1b n ASP 35 N -4.05 0.00 0.14 0.06 2.03 -1.25 -2.17 116.55 111.32 7i1b n ASP 35 Ca 0.12 0.29 0.08 0.00 0.52 0.00 0.00 54.79 55.80 7i1b n ASP 35 Cb 0.74 -0.29 0.44 0.00 -0.72 0.00 0.00 41.12 41.30 7i1b n ASP 35 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 7i1b n MET 36 N -1.28 0.11 0.19 -0.67 1.56 0.11 -0.56 117.12 116.58 7i1b n MET 36 Ca 0.00 0.59 0.14 0.00 -0.27 0.00 0.00 57.70 58.16 7i1b n MET 36 Cb 0.00 -1.93 0.63 0.00 2.15 0.00 0.00 33.22 34.07 7i1b n MET 36 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 7i1b h GLU 37 N 0.00 0.00 -0.92 2.12 4.81 -1.69 -2.46 114.58 116.43 7i1b h GLU 37 Ca 0.00 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 7i1b h GLU 37 Cb 0.17 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.45 7i1b h GLU 37 CO 0.00 0.00 0.22 1.04 -0.73 0.00 0.00 179.01 179.54 7i1b n GLN 38 N -2.55 2.15 -3.82 1.92 6.02 0.28 -4.89 117.38 116.50 7i1b n GLN 38 Ca 0.01 -1.59 -0.32 0.00 -0.01 0.00 0.00 57.00 55.09 7i1b n GLN 38 Cb 0.20 -1.72 -0.04 0.00 1.02 0.00 0.00 30.24 29.70 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 -1.78 3.52 0.39 -1.09 0.00 -0.93 -4.60 119.66 115.16 7i1b s GLN 39 Ca 0.29 -0.26 0.08 0.00 -0.00 0.00 0.00 55.36 55.46 7i1b s GLN 39 Cb 0.24 -2.99 0.00 0.00 0.00 0.00 0.00 33.01 30.26 7i1b s GLN 39 CO 0.07 0.58 0.52 0.08 0.00 0.00 0.00 175.29 176.54 7i1b s VAL 40 N -1.51 3.36 -0.06 3.63 1.01 -1.07 -4.95 120.40 120.81 7i1b s VAL 40 Ca 0.35 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 7i1b s VAL 40 Cb -0.13 -3.14 0.04 0.00 0.00 0.00 0.00 36.38 33.15 7i1b s VAL 40 CO 0.24 -0.06 0.11 -0.69 0.00 0.00 0.00 175.10 174.71 7i1b s VAL 41 N -2.29 -0.17 0.53 2.92 1.01 -1.26 -4.73 120.40 116.40 7i1b s VAL 41 Ca 0.51 0.36 0.04 0.00 0.00 0.00 0.00 61.98 62.90 7i1b s VAL 41 Cb -0.10 -0.22 0.04 0.00 0.00 0.00 0.00 36.38 36.11 7i1b s VAL 41 CO 0.32 0.15 0.74 -0.36 0.00 0.00 0.00 175.10 175.95 7i1b s PHE 42 N 2.07 2.51 -0.48 5.22 0.40 -0.84 -3.37 117.98 123.50 7i1b s PHE 42 Ca 0.02 -0.26 0.03 0.00 -0.60 0.00 0.00 56.93 56.12 7i1b s PHE 42 Cb -0.12 -2.59 0.13 0.00 0.51 0.00 0.00 43.02 40.95 7i1b s PHE 42 CO -0.05 -0.86 0.26 0.45 0.70 0.00 0.00 175.22 175.72 7i1b s SER 43 N -4.47 3.90 0.65 1.36 0.15 0.22 -1.64 113.70 113.87 7i1b s SER 43 Ca 0.58 -2.81 -0.16 0.00 0.70 0.00 0.00 55.95 54.26 7i1b s SER 43 Cb -0.09 -1.26 -0.00 0.00 -1.71 0.00 0.00 66.02 62.95 7i1b s SER 43 CO 0.37 -0.25 1.16 -0.32 1.20 0.00 0.00 173.24 175.40 7i1b s MET 44 N 0.06 2.72 -0.05 5.44 1.75 0.19 -2.57 119.30 126.85 7i1b s MET 44 Ca 0.18 1.61 -0.02 0.00 -1.25 0.00 0.00 55.69 56.20 7i1b s MET 44 Cb -0.24 -1.92 0.04 0.00 2.84 0.00 0.00 34.83 35.55 7i1b s MET 44 CO -0.01 -1.35 0.10 -1.12 -0.65 0.00 0.00 175.02 171.99 7i1b s SER 45 N -2.13 0.67 -0.53 1.11 0.01 -0.30 0.84 113.70 113.37 7i1b s SER 45 Ca 0.72 0.18 -0.28 0.00 1.31 0.00 0.00 55.95 57.88 7i1b s SER 45 Cb -0.25 0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.04 7i1b s SER 45 CO 0.39 -0.21 1.40 -0.36 0.41 0.00 0.00 173.24 174.87 7i1b s PHE 46 N 1.89 2.32 0.72 2.43 0.08 -1.22 -1.18 117.98 123.03 7i1b s PHE 46 Ca 0.00 0.52 0.02 0.00 0.12 0.00 0.00 56.93 57.59 7i1b s PHE 46 Cb -0.12 -4.38 0.14 0.00 -0.57 0.00 0.00 43.02 38.09 7i1b s PHE 46 CO -0.04 -1.95 0.99 0.14 -0.10 0.00 0.00 175.22 174.26 7i1b s VAL 47 N 5.89 2.01 0.07 -0.44 -7.23 -1.02 -4.66 120.40 115.03 7i1b s VAL 47 Ca 0.54 -0.70 0.02 0.00 -1.81 0.00 0.00 61.98 60.03 7i1b s VAL 47 Cb -0.11 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 7i1b s VAL 47 CO 0.27 0.00 0.13 -1.58 -0.31 0.00 0.00 175.10 173.61 7i1b s GLN 48 N -5.09 3.09 0.00 4.82 0.74 0.13 -4.78 119.66 118.57 7i1b s GLN 48 Ca 0.67 -0.60 0.00 0.00 0.05 0.00 0.00 55.36 55.48 7i1b s GLN 48 Cb -0.04 -2.84 0.00 0.00 1.10 0.00 0.00 33.01 31.23 7i1b s GLN 48 CO 0.44 0.58 0.00 0.41 -0.55 0.00 0.00 175.29 176.17 7i1b n GLY 49 N 0.37 -1.85 3.55 2.59 0.00 -1.26 -4.65 105.19 103.94 7i1b n GLY 49 Ca -0.07 -1.18 -0.21 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.33 0.40 -2.16 1.61 1.02 -1.26 -4.88 120.64 115.04 7i1b n GLU 50 Ca 0.00 -1.77 -0.27 0.00 -0.02 0.00 0.00 57.16 55.10 7i1b n GLU 50 Cb 0.00 -3.70 0.06 0.00 -0.02 0.00 0.00 31.44 27.78 7i1b n GLU 50 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 7i1b s GLU 51 N 7.88 2.36 0.00 3.49 4.04 -1.26 -4.93 118.70 130.28 7i1b s GLU 51 Ca 0.77 -0.08 0.00 0.00 0.04 0.00 0.00 54.97 55.70 7i1b s GLU 51 Cb -0.01 -2.14 0.00 0.00 0.02 0.00 0.00 34.13 32.00 7i1b s GLU 51 CO 0.20 -1.17 0.00 0.45 -1.84 0.00 0.00 175.26 172.90 7i1b n SER 52 N -2.93 0.31 -0.09 0.83 2.88 -1.03 -5.02 113.62 108.58 7i1b n SER 52 Ca 0.07 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.49 7i1b n SER 52 Cb 0.60 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.00 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 1.83 -0.04 -3.46 4.13 -1.26 -4.65 115.26 111.82 7i1b n ASN 53 Ca 0.00 0.54 0.02 0.00 1.68 0.00 0.00 54.58 56.83 7i1b n ASN 53 Cb 0.00 -0.91 -0.13 0.00 -1.54 0.00 0.00 39.78 37.19 7i1b n ASN 53 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 7i1b n ASP 54 N -4.53 1.05 -4.55 6.41 5.68 -1.26 -4.85 116.55 114.50 7i1b n ASP 54 Ca -0.18 0.00 -0.39 0.00 -0.50 0.00 0.00 54.79 53.72 7i1b n ASP 54 Cb 0.45 1.44 -0.03 0.00 -1.14 0.00 0.00 41.12 41.84 7i1b n ASP 54 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 7i1b s LYS 55 N -2.88 2.90 -0.52 0.11 1.02 -1.26 -4.14 119.74 114.97 7i1b s LYS 55 Ca -0.07 0.11 -0.02 0.00 0.02 0.00 0.00 55.97 56.00 7i1b s LYS 55 Cb 0.09 -4.41 0.14 0.00 -0.52 0.00 0.00 37.83 33.12 7i1b s LYS 55 CO 0.69 -2.52 0.32 0.42 -0.92 0.00 0.00 175.35 173.34 7i1b s ILE 56 N 7.58 3.43 0.13 2.17 1.01 -1.08 -2.46 121.20 131.98 7i1b s ILE 56 Ca 0.53 -2.56 -0.31 0.00 0.00 0.00 0.00 60.65 58.31 7i1b s ILE 56 Cb -0.10 -3.30 -0.10 0.00 0.01 0.00 0.00 42.46 38.97 7i1b s ILE 56 CO 0.15 -0.78 1.77 -2.84 0.00 0.00 0.00 174.94 173.23 7i1b s PRO 57 N 0.48 4.15 0.06 2.79 0.02 -1.26 -2.13 135.00 139.11 7i1b s PRO 57 Ca 0.13 2.54 0.01 0.00 0.02 0.00 0.00 61.00 63.70 7i1b s PRO 57 Cb -0.22 -3.47 -0.00 0.00 0.02 0.00 0.00 34.50 30.83 7i1b s PRO 57 CO -0.04 -0.79 0.04 1.33 -0.33 0.00 0.00 177.00 177.21 7i1b n VAL 58 N 4.55 0.00 -3.68 3.83 0.24 -0.72 -2.42 118.33 120.12 7i1b n VAL 58 Ca 0.17 -0.42 -0.14 0.00 -2.04 0.00 0.00 64.34 61.91 7i1b n VAL 58 Cb 0.38 0.19 -0.14 0.00 -1.47 0.00 0.00 33.84 32.80 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 -2.22 -0.39 -0.41 2.33 0.00 -0.32 -1.63 121.76 119.12 7i1b s ALA 59 Ca 0.06 0.79 -0.18 0.00 0.00 0.00 0.00 51.96 52.63 7i1b s ALA 59 Cb 0.00 -0.84 0.02 0.00 0.00 0.00 0.00 23.12 22.30 7i1b s ALA 59 CO 0.04 -0.50 0.51 -0.51 0.00 0.00 0.00 175.76 175.30 7i1b s LEU 60 N 2.09 4.63 -0.05 0.00 1.43 -1.26 -1.14 118.68 124.38 7i1b s LEU 60 Ca -0.01 -0.43 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 7i1b s LEU 60 Cb -0.12 -2.53 -0.00 0.00 0.03 0.00 0.00 46.19 43.57 7i1b s LEU 60 CO -0.07 -0.62 -0.17 -0.83 0.23 0.00 0.00 176.35 174.89 7i1b s GLY 61 N 1.86 0.94 0.19 -3.19 0.00 -1.06 -2.54 107.32 103.52 7i1b s GLY 61 Ca 0.17 -0.68 -0.33 0.00 0.00 0.00 0.00 44.72 43.88 7i1b s GLY 61 CO 0.15 -0.31 1.36 1.04 0.00 0.00 0.00 173.10 175.34 7i1b n LEU 62 N 3.23 2.48 -0.12 0.66 4.77 -1.05 0.70 117.00 127.66 7i1b n LEU 62 Ca -0.19 1.13 -0.09 0.00 -0.03 0.00 0.00 56.01 56.83 7i1b n LEU 62 Cb 0.53 -1.34 -0.01 0.00 -2.33 0.00 0.00 43.42 40.27 7i1b n LEU 62 CO 0.25 -0.76 0.93 0.50 -1.33 0.00 0.00 177.39 176.99 7i1b h LYS 63 N 4.28 0.53 0.28 3.23 3.64 -1.80 -3.27 116.57 123.46 7i1b h LYS 63 Ca -0.45 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 58.83 7i1b h LYS 63 Cb 1.30 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 7i1b h LYS 63 CO 0.76 0.49 -0.13 0.93 -2.27 0.00 0.00 179.45 179.23 7i1b h GLU 64 N 0.45 -0.36 -6.68 1.90 4.39 -1.89 -3.46 114.58 108.93 7i1b h GLU 64 Ca 0.12 0.02 -0.49 0.00 0.34 0.00 0.00 59.36 59.36 7i1b h GLU 64 Cb 0.14 0.08 0.03 0.00 -0.10 0.00 0.00 28.75 28.91 7i1b h GLU 64 CO -0.01 -0.01 -0.08 0.15 -1.16 0.00 0.00 179.01 177.90 7i1b s LYS 65 N -4.05 2.25 -0.56 2.33 -0.14 -1.23 -5.02 119.74 113.31 7i1b s LYS 65 Ca -0.13 -1.63 0.01 0.00 -1.36 0.00 0.00 55.97 52.86 7i1b s LYS 65 Cb 0.01 -2.63 0.43 0.00 -1.68 0.00 0.00 37.83 33.97 7i1b s LYS 65 CO 0.48 -0.92 1.67 0.27 -0.76 0.00 0.00 175.35 176.10 7i1b n ASN 66 N -2.29 6.49 -4.52 2.83 0.23 -1.26 -4.07 115.26 112.67 7i1b n ASN 66 Ca 0.16 -3.78 -0.42 0.00 -0.53 0.00 0.00 54.58 50.01 7i1b n ASN 66 Cb 0.62 -0.74 -0.08 0.00 -2.08 0.00 0.00 39.78 37.49 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 -3.77 4.62 -0.21 -4.53 1.43 -1.26 -2.63 118.68 112.33 7i1b s LEU 67 Ca 0.56 -0.40 -0.10 0.00 -1.03 0.00 0.00 54.13 53.16 7i1b s LEU 67 Cb 0.45 -2.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 7i1b s LEU 67 CO -0.09 -0.56 0.13 -0.31 0.23 0.00 0.00 176.35 175.75 7i1b s TYR 68 N 2.29 3.36 0.41 0.29 1.51 -0.68 -2.53 117.35 122.00 7i1b s TYR 68 Ca 0.15 0.27 -0.25 0.00 -1.01 0.00 0.00 57.07 56.23 7i1b s TYR 68 Cb -0.16 -2.18 -0.11 0.00 -0.11 0.00 0.00 41.96 39.40 7i1b s TYR 68 CO 0.14 0.21 0.97 1.28 -1.11 0.00 0.00 175.55 177.05 7i1b n LEU 69 N 3.74 2.32 -3.82 -1.29 4.32 -1.05 -2.62 117.00 118.60 7i1b n LEU 69 Ca -0.16 1.04 -0.12 0.00 -0.02 0.00 0.00 56.01 56.75 7i1b n LEU 69 Cb 0.52 -1.33 -0.12 0.00 -1.62 0.00 0.00 43.42 40.88 7i1b n LEU 69 CO 0.36 -1.58 -0.15 -0.94 -1.22 0.00 0.00 177.39 173.86 7i1b s SER 70 N -0.74 -0.15 -0.19 -1.43 1.04 0.11 -4.57 113.70 107.77 7i1b s SER 70 Ca 0.63 0.26 -0.13 0.00 0.48 0.00 0.00 55.95 57.18 7i1b s SER 70 Cb -0.58 0.35 -0.05 0.00 0.10 0.00 0.00 66.02 65.85 7i1b s SER 70 CO 0.57 -0.14 0.28 0.00 0.98 0.00 0.00 173.24 174.94 7i1b s VAL 72 N 0.85 0.12 -0.07 0.00 -7.23 -1.04 -4.85 120.40 108.19 7i1b s VAL 72 Ca 0.15 -1.03 -0.25 0.00 -1.81 0.00 0.00 61.98 59.04 7i1b s VAL 72 Cb -0.13 -0.87 -0.03 0.00 0.56 0.00 0.00 36.38 35.90 7i1b s VAL 72 CO 0.05 -0.57 0.76 -0.76 -0.31 0.00 0.00 175.10 174.27 7i1b s LEU 73 N -2.07 4.31 -0.76 1.32 1.43 -1.26 -1.27 118.68 120.37 7i1b s LEU 73 Ca -0.06 1.25 0.03 0.00 -1.03 0.00 0.00 54.13 54.33 7i1b s LEU 73 Cb -0.02 -3.17 0.18 0.00 0.03 0.00 0.00 46.19 43.22 7i1b s LEU 73 CO -0.04 -0.17 0.58 -0.54 0.23 0.00 0.00 176.35 176.40 7i1b s LYS 74 N 1.01 2.71 0.00 1.70 1.02 0.02 -4.64 119.74 121.54 7i1b s LYS 74 Ca 0.40 -3.32 0.00 0.00 0.02 0.00 0.00 55.97 53.06 7i1b s LYS 74 Cb -0.18 -3.59 0.00 0.00 -0.52 0.00 0.00 37.83 33.54 7i1b s LYS 74 CO 0.19 -1.28 0.00 -0.25 -0.92 0.00 0.00 175.35 173.09 7i1b n ASP 75 N 2.09 -1.65 -0.21 2.83 8.00 -1.26 -3.59 116.55 122.76 7i1b n ASP 75 Ca 0.20 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.67 7i1b n ASP 75 Cb 0.36 -0.41 -0.01 0.00 -0.02 0.00 0.00 41.12 41.03 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 -0.16 -4.82 -4.07 -2.24 8.00 -1.26 -4.96 116.55 107.03 7i1b n ASP 76 Ca 0.00 0.07 -0.32 0.00 0.71 0.00 0.00 54.79 55.24 7i1b n ASP 76 Cb 0.41 -2.56 -0.15 0.00 -0.02 0.00 0.00 41.12 38.80 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 -1.64 2.10 0.32 -1.24 2.36 -1.24 -5.07 119.74 115.34 7i1b s LYS 77 Ca 0.00 -1.46 -0.29 0.00 -2.55 0.00 0.00 55.97 51.67 7i1b s LYS 77 Cb 0.00 -3.01 -0.12 0.00 -1.05 0.00 0.00 37.83 33.65 7i1b s LYS 77 CO 0.00 -0.66 1.34 -2.30 1.55 0.00 0.00 175.35 175.27 7i1b n PRO 78 N 4.42 2.15 -3.93 4.03 -0.02 -1.26 -0.80 135.00 139.58 7i1b n PRO 78 Ca -0.10 0.76 -0.10 0.00 -2.02 0.00 0.00 63.50 62.04 7i1b n PRO 78 Cb 0.42 -2.37 -0.07 0.00 -0.02 0.00 0.00 33.50 31.47 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 -0.81 0.06 -0.10 3.45 2.01 -0.40 -4.66 115.64 115.20 7i1b s THR 79 Ca 0.59 -1.31 -0.09 0.00 0.31 0.00 0.00 61.69 61.19 7i1b s THR 79 Cb -0.58 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 7i1b s THR 79 CO 0.59 -0.29 0.19 -0.22 -0.69 0.00 0.00 174.62 174.21 7i1b s LEU 80 N -2.95 4.40 0.07 4.42 2.96 -1.26 -2.48 118.68 123.83 7i1b s LEU 80 Ca 0.16 0.56 -0.20 0.00 -0.22 0.00 0.00 54.13 54.43 7i1b s LEU 80 Cb 0.03 -2.18 0.05 0.00 0.50 0.00 0.00 46.19 44.59 7i1b s LEU 80 CO -0.01 0.38 0.48 -1.58 -1.32 0.00 0.00 176.35 174.31 7i1b s GLN 81 N -0.97 1.04 -0.19 1.98 2.00 -0.78 -4.80 119.66 117.95 7i1b s GLN 81 Ca 0.17 -0.38 -0.12 0.00 -2.00 0.00 0.00 55.36 53.02 7i1b s GLN 81 Cb -0.13 0.47 -0.05 0.00 0.80 0.00 0.00 33.01 34.11 7i1b s GLN 81 CO 0.06 -0.39 0.22 -0.51 -0.50 0.00 0.00 175.29 174.17 7i1b s LEU 82 N -2.23 4.21 -0.03 3.68 1.43 -1.26 0.06 118.68 124.54 7i1b s LEU 82 Ca -0.03 0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.46 7i1b s LEU 82 Cb -0.00 -2.24 0.01 0.00 0.03 0.00 0.00 46.19 43.98 7i1b s LEU 82 CO -0.05 0.12 -0.09 -0.70 0.23 0.00 0.00 176.35 175.86 7i1b s GLU 83 N 0.51 1.08 -0.16 1.70 2.12 -1.08 -4.95 118.70 117.92 7i1b s GLU 83 Ca 0.12 -0.32 -0.29 0.00 0.36 0.00 0.00 54.97 54.85 7i1b s GLU 83 Cb -0.12 -0.99 -0.02 0.00 0.26 0.00 0.00 34.13 33.26 7i1b s GLU 83 CO 0.02 0.09 1.32 -1.12 -0.54 0.00 0.00 175.26 175.03 7i1b s SER 84 N 0.31 6.88 0.38 -1.70 0.01 -1.26 -1.68 113.70 116.63 7i1b s SER 84 Ca -0.05 1.73 0.00 0.00 1.31 0.00 0.00 55.95 58.94 7i1b s SER 84 Cb -0.10 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.59 7i1b s SER 84 CO 0.01 -0.81 0.00 1.33 0.41 0.00 0.00 173.24 174.18 7i1b n VAL 85 N 5.46 0.00 -3.08 3.43 0.24 -1.08 -4.97 118.33 118.33 7i1b n VAL 85 Ca 0.14 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.03 7i1b n VAL 85 Cb 0.45 -1.60 -0.06 0.00 -1.47 0.00 0.00 33.84 31.16 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 -1.08 -1.26 -4.90 116.67 113.54 7i1b s ASP 86 Ca 0.00 0.18 0.04 0.00 -0.52 0.00 0.00 52.55 52.25 7i1b s ASP 86 Cb 0.00 -2.34 0.21 0.00 -1.46 0.00 0.00 42.92 39.33 7i1b s ASP 86 CO 0.00 -0.62 1.05 -0.81 0.52 0.00 0.00 175.17 175.32 7i1b n PRO 87 N 6.11 0.03 -0.04 4.34 -0.05 -1.26 -1.28 135.00 142.85 7i1b n PRO 87 Ca -0.00 0.33 -0.22 0.00 -0.05 0.00 0.00 63.50 63.56 7i1b n PRO 87 Cb 0.48 -1.50 -0.13 0.00 -0.05 0.00 0.00 33.50 32.31 7i1b n PRO 87 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 7i1b n LYS 88 N -1.39 0.69 -0.08 0.54 5.02 -1.26 -4.60 118.16 117.08 7i1b n LYS 88 Ca 0.02 0.34 -0.14 0.00 -2.02 0.00 0.00 58.31 56.51 7i1b n LYS 88 Cb 0.04 -1.69 -0.09 0.00 -0.02 0.00 0.00 35.03 33.27 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 -0.28 0.00 -3.71 4.39 -0.26 -1.84 -3.46 115.58 110.41 7i1b h ASN 89 Ca -0.43 -0.59 -0.49 0.00 -0.56 0.00 0.00 56.30 54.22 7i1b h ASN 89 Cb 1.81 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 39.04 7i1b h ASN 89 CO -0.04 1.06 0.12 -0.31 -1.06 0.00 0.00 177.43 177.21 7i1b s TYR 90 N -2.17 3.44 0.50 1.19 1.51 -0.40 -3.85 117.35 117.56 7i1b s TYR 90 Ca -0.19 1.30 -0.19 0.00 -1.01 0.00 0.00 57.07 56.97 7i1b s TYR 90 Cb 0.01 -2.58 -0.08 0.00 -0.11 0.00 0.00 41.96 39.20 7i1b s TYR 90 CO 0.51 0.14 1.04 -1.25 -1.11 0.00 0.00 175.55 174.88 7i1b s PRO 91 N -2.73 3.75 0.01 -1.71 0.04 -1.26 -4.52 135.00 128.58 7i1b s PRO 91 Ca 0.52 1.32 -0.05 0.00 0.04 0.00 0.00 61.00 62.82 7i1b s PRO 91 Cb -0.12 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 7i1b s PRO 91 CO 0.18 -0.47 0.09 0.21 0.04 0.00 0.00 177.00 177.05 7i1b s LYS 92 N -3.38 0.45 0.38 4.56 2.20 -1.25 -4.87 119.74 117.83 7i1b s LYS 92 Ca 0.66 -0.48 0.20 0.00 -0.36 0.00 0.00 55.97 55.99 7i1b s LYS 92 Cb -0.16 0.18 1.07 0.00 -1.51 0.00 0.00 37.83 37.42 7i1b s LYS 92 CO 0.23 -0.10 1.55 1.57 -0.36 0.00 0.00 175.35 178.24 7i1b h LYS 93 N 4.31 0.00 -5.88 4.03 2.10 -1.92 -3.40 116.57 115.80 7i1b h LYS 93 Ca -0.31 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 57.81 7i1b h LYS 93 Cb 1.20 0.00 -0.24 0.00 -0.90 0.00 0.00 32.23 32.29 7i1b h LYS 93 CO 0.41 0.00 -0.82 0.21 -2.00 0.00 0.00 179.45 177.25 7i1b s LYS 94 N -3.54 1.18 -0.02 0.07 2.47 -1.26 0.19 119.74 118.83 7i1b s LYS 94 Ca -0.02 -0.96 -0.10 0.00 -1.56 0.00 0.00 55.97 53.33 7i1b s LYS 94 Cb 0.06 -1.30 0.01 0.00 -1.46 0.00 0.00 37.83 35.14 7i1b s LYS 94 CO 0.18 0.32 0.22 -1.64 0.16 0.00 0.00 175.35 174.59 7i1b s MET 95 N -1.40 0.53 0.81 4.03 -1.94 -1.26 -4.99 119.30 115.09 7i1b s MET 95 Ca 0.05 -0.21 -0.10 0.00 -1.71 0.00 0.00 55.69 53.71 7i1b s MET 95 Cb -0.09 0.23 0.08 0.00 2.01 0.00 0.00 34.83 37.06 7i1b s MET 95 CO 0.02 -0.13 1.11 -2.00 -0.01 0.00 0.00 175.02 174.01 7i1b s GLU 96 N -1.15 1.90 0.31 2.03 2.12 -1.26 -4.72 118.70 117.93 7i1b s GLU 96 Ca -0.12 1.26 0.02 0.00 0.36 0.00 0.00 54.97 56.49 7i1b s GLU 96 Cb -0.06 -1.85 0.58 0.00 0.26 0.00 0.00 34.13 33.06 7i1b s GLU 96 CO 0.02 -1.92 1.89 0.87 -0.54 0.00 0.00 175.26 175.58 7i1b h LYS 97 N -1.34 0.95 -0.76 4.30 1.79 -1.90 -0.40 116.57 119.21 7i1b h LYS 97 Ca -0.44 -0.06 0.16 0.00 -2.18 0.00 0.00 60.65 58.14 7i1b h LYS 97 Cb 1.24 -0.21 -0.05 0.00 -1.58 0.00 0.00 32.23 31.63 7i1b h LYS 97 CO 0.49 0.63 0.51 0.00 -1.08 0.00 0.00 179.45 179.99 7i1b h ARG 98 N 0.97 0.36 0.00 3.15 3.08 -1.90 -0.76 114.38 119.28 7i1b h ARG 98 Ca 0.42 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.45 7i1b h ARG 98 Cb 0.33 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.30 7i1b h ARG 98 CO -0.18 0.24 -1.00 1.19 -1.07 0.00 0.00 179.97 179.15 7i1b n PHE 99 N -4.47 0.00 -3.15 3.04 3.72 -0.31 -2.91 117.46 113.39 7i1b n PHE 99 Ca 0.15 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.16 7i1b n PHE 99 Cb 0.57 -0.02 -0.05 0.00 -0.94 0.00 0.00 39.48 39.04 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 -3.01 4.93 -0.13 -4.37 1.01 -0.29 -4.48 120.40 114.06 7i1b s VAL 100 Ca 0.08 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.38 7i1b s VAL 100 Cb 0.16 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.59 7i1b s VAL 100 CO 0.86 0.37 -0.11 -0.36 0.00 0.00 0.00 175.10 175.87 7i1b s PHE 101 N 0.07 1.79 -0.55 5.22 0.40 -0.64 -2.22 117.98 122.05 7i1b s PHE 101 Ca 0.33 -0.94 -0.28 0.00 -0.60 0.00 0.00 56.93 55.44 7i1b s PHE 101 Cb -0.18 -1.39 0.00 0.00 0.51 0.00 0.00 43.02 41.96 7i1b s PHE 101 CO 0.18 -0.57 1.54 -0.80 0.70 0.00 0.00 175.22 176.26 7i1b s ASN 102 N 1.54 5.94 -0.69 1.36 -0.87 -0.89 -1.76 114.94 119.58 7i1b s ASN 102 Ca 0.04 0.38 -0.27 0.00 -1.57 0.00 0.00 52.86 51.44 7i1b s ASN 102 Cb -0.13 -2.54 0.02 0.00 -0.02 0.00 0.00 41.25 38.58 7i1b s ASN 102 CO -0.09 -1.84 1.42 -0.75 -2.57 0.00 0.00 177.10 173.28 7i1b s LYS 103 N 5.82 3.08 0.38 -0.60 2.36 -0.91 -2.56 119.74 127.32 7i1b s LYS 103 Ca 0.57 0.03 0.07 0.00 -2.55 0.00 0.00 55.97 54.10 7i1b s LYS 103 Cb -0.12 -4.22 -0.01 0.00 -1.05 0.00 0.00 37.83 32.43 7i1b s LYS 103 CO 0.25 -2.24 0.45 0.42 1.55 0.00 0.00 175.35 175.77 7i1b s ILE 104 N 6.49 3.30 -0.13 5.43 1.01 0.06 -2.63 121.20 134.74 7i1b s ILE 104 Ca 0.44 -1.14 0.02 0.00 0.00 0.00 0.00 60.65 59.97 7i1b s ILE 104 Cb -0.09 -3.14 -0.00 0.00 0.01 0.00 0.00 42.46 39.23 7i1b s ILE 104 CO 0.18 -0.07 -0.18 -1.61 0.00 0.00 0.00 174.94 173.25 7i1b s GLU 105 N -4.19 3.18 -0.05 2.79 2.02 -1.26 -1.06 118.70 120.12 7i1b s GLU 105 Ca 0.48 -0.79 -0.02 0.00 0.02 0.00 0.00 54.97 54.66 7i1b s GLU 105 Cb -0.08 -2.50 0.03 0.00 0.10 0.00 0.00 34.13 31.69 7i1b s GLU 105 CO 0.30 0.11 0.08 0.42 0.02 0.00 0.00 175.26 176.20 7i1b s ILE 106 N 0.55 -0.14 -1.34 -1.63 -1.09 0.64 -4.85 121.20 113.34 7i1b s ILE 106 Ca -0.11 0.40 -0.06 0.00 -2.23 0.00 0.00 60.65 58.65 7i1b s ILE 106 Cb -0.16 -0.18 0.02 0.00 -1.58 0.00 0.00 42.46 40.56 7i1b s ILE 106 CO 0.04 0.17 1.01 -3.20 -1.23 0.00 0.00 174.94 171.73 7i1b n ASN 107 N 5.25 -4.03 -0.93 3.58 4.05 -1.26 -0.58 115.26 121.34 7i1b n ASN 107 Ca -0.05 -0.66 -0.12 0.00 0.45 0.00 0.00 54.58 54.20 7i1b n ASN 107 Cb 0.50 -4.66 -0.05 0.00 1.23 0.00 0.00 39.78 36.80 7i1b n ASN 107 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 7i1b n ASN 108 N -3.02 -5.32 -4.63 1.20 3.02 -1.26 -4.96 115.26 100.30 7i1b n ASN 108 Ca -0.12 0.30 -0.28 0.00 -0.03 0.00 0.00 54.58 54.45 7i1b n ASN 108 Cb 0.60 -3.89 -0.11 0.00 -0.61 0.00 0.00 39.78 35.78 7i1b n ASN 108 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 7i1b s LYS 109 N -2.94 1.98 0.14 3.52 -0.14 0.25 -5.10 119.74 117.45 7i1b s LYS 109 Ca 0.00 -2.13 0.03 0.00 -1.36 0.00 0.00 55.97 52.51 7i1b s LYS 109 Cb 0.00 -1.62 -0.04 0.00 -1.68 0.00 0.00 37.83 34.50 7i1b s LYS 109 CO 0.00 -0.08 0.20 -0.51 -0.76 0.00 0.00 175.35 174.20 7i1b s LEU 110 N -3.72 4.07 -0.11 3.17 1.43 -0.89 -0.26 118.68 122.36 7i1b s LEU 110 Ca 0.32 0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 53.42 7i1b s LEU 110 Cb 0.09 -2.67 0.06 0.00 0.03 0.00 0.00 46.19 43.70 7i1b s LEU 110 CO 0.17 0.08 0.23 -0.70 0.23 0.00 0.00 176.35 176.35 7i1b s GLU 111 N -3.05 0.12 -0.32 1.70 2.12 -0.23 -0.08 118.70 118.95 7i1b s GLU 111 Ca 0.33 0.66 -0.12 0.00 0.36 0.00 0.00 54.97 56.20 7i1b s GLU 111 Cb -0.11 -0.12 -0.03 0.00 0.26 0.00 0.00 34.13 34.14 7i1b s GLU 111 CO 0.26 -0.28 0.24 -0.06 -0.54 0.00 0.00 175.26 174.87 7i1b s PHE 112 N 2.25 3.23 -0.11 5.30 0.08 -1.26 -0.76 117.98 126.70 7i1b s PHE 112 Ca 0.01 -0.08 -0.06 0.00 0.12 0.00 0.00 56.93 56.92 7i1b s PHE 112 Cb -0.12 -2.46 -0.04 0.00 -0.57 0.00 0.00 43.02 39.83 7i1b s PHE 112 CO -0.08 -0.30 0.12 -1.83 -0.10 0.00 0.00 175.22 173.03 7i1b s GLU 113 N 1.76 3.36 -0.51 0.44 -1.05 -1.06 -2.33 118.70 119.31 7i1b s GLU 113 Ca 0.07 -0.19 -0.27 0.00 -0.15 0.00 0.00 54.97 54.43 7i1b s GLU 113 Cb -0.17 -3.11 -0.01 0.00 -0.44 0.00 0.00 34.13 30.39 7i1b s GLU 113 CO 0.11 0.76 1.76 0.45 0.95 0.00 0.00 175.26 179.29 7i1b s SER 114 N -1.05 5.63 0.60 0.83 0.15 -0.26 -2.10 113.70 117.50 7i1b s SER 114 Ca 0.15 0.65 0.19 0.00 0.70 0.00 0.00 55.95 57.64 7i1b s SER 114 Cb -0.12 -2.53 1.05 0.00 -1.71 0.00 0.00 66.02 62.71 7i1b s SER 114 CO 0.04 -2.04 1.57 0.00 1.20 0.00 0.00 173.24 174.01 7i1b h ALA 115 N 13.60 1.48 0.00 5.45 0.00 -1.60 -0.66 119.26 137.52 7i1b h ALA 115 Ca -0.28 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 7i1b h ALA 115 Cb 1.15 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 7i1b h ALA 115 CO 1.15 -0.48 -0.06 0.37 0.00 0.00 0.00 179.25 180.24 7i1b h GLN 116 N 0.00 0.00 -4.01 0.00 4.15 -1.80 -3.43 115.11 110.02 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 1.00 0.00 -0.34 0.00 0.21 0.00 0.00 27.48 28.35 7i1b h GLN 116 CO 0.00 0.40 -0.42 -0.06 -1.93 0.00 0.00 178.83 176.82 7i1b s PHE 117 N -1.85 3.49 0.71 3.99 0.08 -0.26 -5.06 117.98 119.07 7i1b s PHE 117 Ca -0.09 -2.50 -0.16 0.00 0.12 0.00 0.00 56.93 54.31 7i1b s PHE 117 Cb -0.01 -3.26 0.02 0.00 -0.57 0.00 0.00 43.02 39.20 7i1b s PHE 117 CO 0.29 -0.91 1.27 -2.14 -0.10 0.00 0.00 175.22 173.62 7i1b s PRO 118 N 0.54 2.20 0.00 0.24 0.02 -1.22 -2.27 135.00 134.51 7i1b s PRO 118 Ca 0.13 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.12 7i1b s PRO 118 Cb -0.21 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.49 7i1b s PRO 118 CO -0.04 -1.84 0.00 0.09 -0.33 0.00 0.00 177.00 174.88 7i1b n ASN 119 N -2.42 0.00 -4.32 2.53 5.03 -1.26 -4.99 115.26 109.83 7i1b n ASN 119 Ca 0.15 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.24 7i1b n ASN 119 Cb 0.49 0.00 -0.13 0.00 -1.02 0.00 0.00 39.78 39.11 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 -2.70 3.04 0.52 3.10 0.52 -0.96 -4.59 118.94 117.87 7i1b s TRP 120 Ca 0.00 -0.97 0.01 0.00 0.02 0.00 0.00 56.10 55.17 7i1b s TRP 120 Cb 0.00 -2.16 -0.01 0.00 -1.15 0.00 0.00 33.47 30.16 7i1b s TRP 120 CO 0.00 -0.56 0.03 0.71 0.02 0.00 0.00 176.95 177.15 7i1b s TYR 121 N 1.48 1.82 -0.17 -1.98 1.51 -0.95 -1.10 117.35 117.96 7i1b s TYR 121 Ca 0.04 -0.96 -0.26 0.00 -1.01 0.00 0.00 57.07 54.88 7i1b s TYR 121 Cb -0.15 -1.63 -0.01 0.00 -0.11 0.00 0.00 41.96 40.06 7i1b s TYR 121 CO -0.01 0.17 0.86 0.42 -1.11 0.00 0.00 175.55 175.88 7i1b s ILE 122 N -2.88 4.86 0.14 2.71 1.01 -0.98 -1.68 121.20 124.38 7i1b s ILE 122 Ca 0.06 1.70 0.05 0.00 0.00 0.00 0.00 60.65 62.46 7i1b s ILE 122 Cb 0.01 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 7i1b s ILE 122 CO 0.04 0.01 -0.11 -0.44 0.00 0.00 0.00 174.94 174.44 7i1b s SER 123 N 1.15 1.82 0.17 3.58 0.01 -0.56 -4.42 113.70 115.45 7i1b s SER 123 Ca 0.40 -0.96 0.09 0.00 1.31 0.00 0.00 55.95 56.79 7i1b s SER 123 Cb -0.17 -0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 7i1b s SER 123 CO 0.13 -0.29 -0.19 0.42 0.41 0.00 0.00 173.24 173.72 7i1b s THR 124 N -3.03 1.91 -0.25 1.44 -4.23 -0.82 -2.62 115.64 108.05 7i1b s THR 124 Ca 0.14 -1.94 -0.19 0.00 -1.18 0.00 0.00 61.69 58.53 7i1b s THR 124 Cb 0.01 -1.89 -0.03 0.00 1.34 0.00 0.00 72.50 71.93 7i1b s THR 124 CO 0.01 -0.28 0.56 -0.55 -0.54 0.00 0.00 174.62 173.82 7i1b s SER 125 N -2.66 6.51 0.55 3.99 0.15 -1.26 -2.77 113.70 118.21 7i1b s SER 125 Ca 0.17 0.62 0.40 0.00 0.70 0.00 0.00 55.95 57.83 7i1b s SER 125 Cb -0.06 -2.30 1.58 0.00 -1.71 0.00 0.00 66.02 63.53 7i1b s SER 125 CO 0.07 -0.30 1.72 -0.61 1.20 0.00 0.00 173.24 175.33 7i1b h GLN 126 N 7.87 0.00 -6.31 5.44 4.15 -1.98 -3.41 115.11 120.87 7i1b h GLN 126 Ca -0.29 0.00 -0.49 0.00 0.77 0.00 0.00 58.65 58.64 7i1b h GLN 126 Cb 1.14 0.00 0.24 0.00 0.21 0.00 0.00 27.48 29.07 7i1b h GLN 126 CO 0.74 0.00 -1.80 0.00 -1.93 0.00 0.00 178.83 175.83 7i1b n ALA 127 N -2.78 -4.86 -2.30 3.38 0.00 -1.26 -4.91 120.51 107.79 7i1b n ALA 127 Ca 0.30 -1.15 -0.38 0.00 0.00 0.00 0.00 53.44 52.21 7i1b n ALA 127 Cb 1.45 -1.21 -0.06 0.00 0.00 0.00 0.00 19.45 19.64 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 -2.66 4.14 -0.44 0.00 8.01 -1.26 -4.52 118.70 121.97 7i1b s GLU 128 Ca 0.46 0.67 -0.32 0.00 0.01 0.00 0.00 54.97 55.79 7i1b s GLU 128 Cb -0.05 -3.16 0.05 0.00 -4.31 0.00 0.00 34.13 26.65 7i1b s GLU 128 CO 0.69 0.60 0.64 -1.71 0.01 0.00 0.00 175.26 175.49 7i1b n ASN 129 N 1.50 -6.24 -3.97 -0.19 5.15 -1.25 -5.01 115.26 105.26 7i1b n ASN 129 Ca -0.09 0.06 -0.17 0.00 -0.60 0.00 0.00 54.58 53.78 7i1b n ASN 129 Cb 0.51 -2.75 -0.15 0.00 -0.53 0.00 0.00 39.78 36.86 7i1b n ASN 129 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 7i1b s MET 130 N -2.47 0.50 0.33 1.20 -1.94 -1.25 -4.99 119.30 110.69 7i1b s MET 130 Ca 0.34 -0.21 -0.29 0.00 -1.71 0.00 0.00 55.69 53.83 7i1b s MET 130 Cb -0.05 -0.49 -0.11 0.00 2.01 0.00 0.00 34.83 36.20 7i1b s MET 130 CO 0.83 0.12 1.46 -1.25 -0.01 0.00 0.00 175.02 176.17 7i1b s PRO 131 N -0.08 4.19 0.71 2.03 0.04 -1.26 -2.62 135.00 138.00 7i1b s PRO 131 Ca 0.02 2.46 -0.13 0.00 0.04 0.00 0.00 61.00 63.39 7i1b s PRO 131 Cb -0.03 -3.02 0.02 0.00 0.04 0.00 0.00 34.50 31.52 7i1b s PRO 131 CO -0.00 -0.46 1.10 0.08 0.04 0.00 0.00 177.00 177.75 7i1b s VAL 132 N -0.77 3.35 0.32 -0.36 1.01 -0.98 -4.72 120.40 118.24 7i1b s VAL 132 Ca 0.55 0.53 -0.18 0.00 0.00 0.00 0.00 61.98 62.87 7i1b s VAL 132 Cb -0.45 -3.04 0.06 0.00 0.00 0.00 0.00 36.38 32.95 7i1b s VAL 132 CO 0.55 -0.48 0.84 0.72 0.00 0.00 0.00 175.10 176.73 7i1b s PHE 133 N -2.64 0.06 -0.21 5.22 -0.71 -1.08 -4.84 117.98 113.78 7i1b s PHE 133 Ca 0.64 -0.63 -0.12 0.00 -1.04 0.00 0.00 56.93 55.77 7i1b s PHE 133 Cb -0.18 0.79 -0.05 0.00 -1.21 0.00 0.00 43.02 42.37 7i1b s PHE 133 CO 0.49 -1.36 0.22 -1.17 -1.34 0.00 0.00 175.22 172.06 7i1b s LEU 134 N -3.11 4.17 0.06 -1.99 2.96 -1.26 -1.49 118.68 118.01 7i1b s LEU 134 Ca 0.16 0.29 0.04 0.00 -0.22 0.00 0.00 54.13 54.40 7i1b s LEU 134 Cb -0.05 -2.23 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 7i1b s LEU 134 CO 0.09 0.07 -0.12 -0.83 -1.32 0.00 0.00 176.35 174.24 7i1b s GLY 135 N 0.79 0.74 -0.85 7.98 0.00 -0.67 -4.63 107.32 110.67 7i1b s GLY 135 Ca 0.11 -0.91 -0.01 0.00 0.00 0.00 0.00 44.72 43.91 7i1b s GLY 135 CO 0.04 -0.94 1.89 0.61 0.00 0.00 0.00 173.10 174.69 7i1b n GLY 136 N 1.39 5.70 2.52 0.20 0.00 -1.26 -2.24 105.19 111.50 7i1b n GLY 136 Ca -0.21 -2.53 -0.27 0.00 0.00 0.00 0.00 46.02 43.00 7i1b n GLY 136 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 7i1b n THR 137 N -0.42 -0.19 -1.82 2.61 -1.04 -1.26 -5.01 114.28 107.16 7i1b n THR 137 Ca 0.51 -3.98 -0.39 0.00 -2.04 0.00 0.00 64.05 58.15 7i1b n THR 137 Cb 0.27 -1.85 -0.03 0.00 -1.82 0.00 0.00 70.33 66.90 7i1b n THR 137 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 7i1b s LYS 138 N -0.62 2.68 4.64 -2.82 -2.85 -1.26 -4.53 119.74 114.97 7i1b s LYS 138 Ca 0.31 1.24 0.00 0.00 -1.00 0.00 0.00 55.97 56.52 7i1b s LYS 138 Cb 0.03 -4.41 0.00 0.00 -2.06 0.00 0.00 37.83 31.40 7i1b s LYS 138 CO -0.17 -2.63 0.00 0.41 0.10 0.00 0.00 175.35 173.05 7i1b n GLY 139 N 5.75 1.67 7.00 0.59 0.00 -1.26 -4.98 105.19 113.96 7i1b n GLY 139 Ca 0.27 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 3.20 0.08 -0.02 0.00 -1.26 -2.49 105.19 104.70 7i1b n GLY 140 Ca 0.00 0.25 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 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 14.00 1.22 -2.36 1.61 0.00 -1.26 -4.98 117.38 125.61 7i1b n GLN 141 Ca 0.00 0.03 -0.35 0.00 -0.00 0.00 0.00 57.00 56.67 7i1b n GLN 141 Cb 0.00 -1.39 -0.01 0.00 0.00 0.00 0.00 30.24 28.83 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 -5.17 6.02 -0.58 1.69 1.01 -1.04 -4.79 116.67 113.81 7i1b s ASP 142 Ca -0.13 2.12 -0.19 0.00 0.71 0.00 0.00 52.55 55.06 7i1b s ASP 142 Cb 0.05 -2.58 0.09 0.00 1.01 0.00 0.00 42.92 41.50 7i1b s ASP 142 CO 0.58 -1.01 0.70 -0.63 0.21 0.00 0.00 175.17 175.02 7i1b s ILE 143 N -1.79 4.81 -0.13 0.77 1.01 -1.11 -4.25 121.20 120.51 7i1b s ILE 143 Ca 0.69 -0.88 0.18 0.00 0.00 0.00 0.00 60.65 60.65 7i1b s ILE 143 Cb -0.22 -4.46 -0.19 0.00 0.01 0.00 0.00 42.46 37.59 7i1b s ILE 143 CO 0.26 -1.08 0.61 0.35 0.00 0.00 0.00 174.94 175.08 7i1b n THR 144 N 5.57 1.01 -1.09 2.92 -2.24 -1.26 -1.94 114.28 117.25 7i1b n THR 144 Ca -0.09 -0.69 -0.29 0.00 -2.27 0.00 0.00 64.05 60.71 7i1b n THR 144 Cb 0.43 -0.54 0.20 0.00 -2.10 0.00 0.00 70.33 68.32 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 2.03 0.29 3.42 1.47 -1.26 -4.55 116.67 112.59 7i1b s ASP 145 Ca -0.05 1.07 -0.07 0.00 1.18 0.00 0.00 52.55 54.68 7i1b s ASP 145 Cb 0.09 -1.67 0.03 0.00 -0.34 0.00 0.00 42.92 41.03 7i1b s ASP 145 CO 0.83 -3.49 0.52 0.49 0.68 0.00 0.00 175.17 174.21 7i1b n PHE 146 N -4.40 -1.72 -3.62 2.11 3.72 0.88 -4.47 117.46 109.96 7i1b n PHE 146 Ca 0.06 -1.61 -0.13 0.00 -0.05 0.00 0.00 57.45 55.72 7i1b n PHE 146 Cb 0.58 0.60 -0.13 0.00 -0.94 0.00 0.00 39.48 39.59 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 -2.48 -0.43 0.19 4.37 -4.23 0.23 -2.11 115.64 111.18 7i1b s THR 147 Ca 0.17 0.20 0.01 0.00 -1.18 0.00 0.00 61.69 60.89 7i1b s THR 147 Cb -0.03 -0.51 -0.04 0.00 1.34 0.00 0.00 72.50 73.27 7i1b s THR 147 CO 0.12 0.06 0.35 -0.32 -0.54 0.00 0.00 174.62 174.29 7i1b s MET 148 N 2.43 3.48 -0.19 3.99 1.75 -1.26 -0.56 119.30 128.94 7i1b s MET 148 Ca 0.02 -0.48 -0.07 0.00 -1.25 0.00 0.00 55.69 53.92 7i1b s MET 148 Cb -0.13 -2.89 0.09 0.00 2.84 0.00 0.00 34.83 34.74 7i1b s MET 148 CO -0.10 0.44 0.41 -0.65 -0.65 0.00 0.00 175.02 174.48 7i1b s GLN 149 N -3.37 0.32 1.02 4.11 -0.21 -1.01 -4.98 119.66 115.53 7i1b s GLN 149 Ca 0.37 1.01 -0.15 0.00 0.02 0.00 0.00 55.36 56.60 7i1b s GLN 149 Cb -0.11 0.30 0.05 0.00 1.00 0.00 0.00 33.01 34.26 7i1b s GLN 149 CO 0.29 -0.25 0.17 1.19 -2.12 0.00 0.00 175.29 174.58 7i1b n PHE 150 N 5.33 -1.59 -4.15 0.91 3.01 -1.26 -1.83 117.46 117.88 7i1b n PHE 150 Ca -0.09 0.19 -0.10 0.00 1.01 0.00 0.00 57.45 58.46 7i1b n PHE 150 Cb 0.50 -1.68 -0.10 0.00 -0.01 0.00 0.00 39.48 38.19 7i1b n PHE 150 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 7i1b s VAL 151 N -2.31 0.59 0.04 -4.37 -7.23 -1.10 -4.68 120.40 101.33 7i1b s VAL 151 Ca 0.55 -1.91 -0.16 0.00 -1.81 0.00 0.00 61.98 58.66 7i1b s VAL 151 Cb -0.17 -1.66 0.03 0.00 0.56 0.00 0.00 36.38 35.14 7i1b s VAL 151 CO 0.68 -0.89 0.36 -0.55 -0.31 0.00 0.00 175.10 174.38 7i1b s SER 152 N -3.02 -0.20 0.00 4.85 0.15 -1.26 -4.95 113.70 109.27 7i1b s SER 152 Ca 0.11 -0.09 0.25 0.00 0.70 0.00 0.00 55.95 56.93 7i1b s SER 152 Cb 0.06 0.39 0.43 0.00 -1.71 0.00 0.00 66.02 65.19 7i1b s SER 152 CO -0.06 -0.63 1.40 -1.54 1.20 0.00 0.00 173.24 173.61