#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 0.56 -1.61 0.00 -0.04 -1.26 -4.71 135.00 127.93 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 1.14 0.00 -3.50 0.52 0.31 -1.26 -4.87 118.33 110.67 7i1b n VAL 3 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.14 7i1b n VAL 3 Cb 0.28 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.08 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 -1.42 0.19 0.44 5.55 0.52 -1.26 -5.08 118.95 117.88 7i1b s ARG 4 Ca 0.00 0.18 -0.05 0.00 -0.52 0.00 0.00 55.73 55.34 7i1b s ARG 4 Cb 0.00 -1.24 -0.04 0.00 0.52 0.00 0.00 34.95 34.19 7i1b s ARG 4 CO 0.00 -0.66 0.74 -1.12 0.02 0.00 0.00 175.30 174.28 7i1b s SER 5 N 2.32 6.32 -0.12 0.23 0.01 -1.26 -3.05 113.70 118.14 7i1b s SER 5 Ca 0.07 0.89 -0.05 0.00 1.31 0.00 0.00 55.95 58.17 7i1b s SER 5 Cb -0.16 -2.23 0.06 0.00 0.21 0.00 0.00 66.02 63.90 7i1b s SER 5 CO -0.12 -0.49 0.26 -0.22 0.41 0.00 0.00 173.24 173.08 7i1b s LEU 6 N -4.46 -0.16 0.33 2.44 1.98 0.16 -4.98 118.68 114.00 7i1b s LEU 6 Ca 0.47 0.58 -0.27 0.00 -2.89 0.00 0.00 54.13 52.02 7i1b s LEU 6 Cb -0.10 0.70 -0.09 0.00 0.66 0.00 0.00 46.19 47.36 7i1b s LEU 6 CO 0.41 -0.22 1.07 0.20 -1.89 0.00 0.00 176.35 175.91 7i1b s ASN 7 N 2.18 7.05 0.11 3.68 0.02 -1.26 0.38 114.94 127.10 7i1b s ASN 7 Ca -0.01 2.16 -0.26 0.00 -1.02 0.00 0.00 52.86 53.73 7i1b s ASN 7 Cb -0.12 -2.61 0.08 0.00 0.02 0.00 0.00 41.25 38.62 7i1b s ASN 7 CO -0.08 -0.29 1.05 0.00 0.02 0.00 0.00 177.10 177.80 7i1b s THR 9 N -3.05 1.10 -0.01 0.00 -4.23 -0.95 -1.23 115.64 107.27 7i1b s THR 9 Ca 0.13 -1.94 -0.01 0.00 -1.18 0.00 0.00 61.69 58.69 7i1b s THR 9 Cb 0.00 -2.04 0.00 0.00 1.34 0.00 0.00 72.50 71.81 7i1b s THR 9 CO 0.01 0.00 0.03 -0.76 -0.54 0.00 0.00 174.62 173.35 7i1b s LEU 10 N -3.95 1.83 0.01 4.79 1.43 -1.26 -2.39 118.68 119.14 7i1b s LEU 10 Ca 0.05 0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.23 7i1b s LEU 10 Cb 0.00 0.08 -0.01 0.00 0.03 0.00 0.00 46.19 46.29 7i1b s LEU 10 CO 0.03 -0.02 -0.09 -0.13 0.23 0.00 0.00 176.35 176.37 7i1b s ARG 11 N 0.10 0.67 0.00 1.70 0.52 0.82 -3.61 118.95 119.15 7i1b s ARG 11 Ca -0.01 -0.47 0.00 0.00 -0.52 0.00 0.00 55.73 54.73 7i1b s ARG 11 Cb -0.01 -0.61 0.00 0.00 0.52 0.00 0.00 34.95 34.84 7i1b s ARG 11 CO -0.00 0.16 0.00 -0.40 0.02 0.00 0.00 175.30 175.07 7i1b n ASP 12 N 2.41 0.00 0.22 0.23 5.75 -0.92 -0.11 116.55 124.12 7i1b n ASP 12 Ca -0.16 -0.78 0.09 0.00 -0.01 0.00 0.00 54.79 53.94 7i1b n ASP 12 Cb 0.56 0.00 0.45 0.00 -1.03 0.00 0.00 41.12 41.10 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 0.00 0.00 -0.19 -1.12 4.64 -1.91 -2.53 113.55 112.44 7i1b h SER 13 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 7i1b h SER 13 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 7i1b h SER 13 CO 0.00 0.24 0.00 1.67 -0.87 0.00 0.00 176.83 177.87 7i1b n GLN 14 N -3.41 1.74 -1.00 4.77 -0.06 -1.26 -4.87 117.38 113.29 7i1b n GLN 14 Ca 0.00 -1.12 0.00 0.00 -2.00 0.00 0.00 57.00 53.89 7i1b n GLN 14 Cb 0.44 -1.38 0.00 0.00 -4.06 0.00 0.00 30.24 25.24 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 0.35 -0.00 -0.83 3.69 7.27 -0.95 -5.01 117.38 121.89 7i1b n GLN 15 Ca 0.16 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.94 7i1b n GLN 15 Cb 0.33 -2.70 0.22 0.00 2.41 0.00 0.00 30.24 30.49 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 -0.00 -0.31 0.21 3.69 1.02 -1.26 -4.70 119.74 118.39 7i1b s LYS 16 Ca 0.00 0.70 0.08 0.00 0.02 0.00 0.00 55.97 56.77 7i1b s LYS 16 Cb 0.00 -1.64 -0.05 0.00 -0.52 0.00 0.00 37.83 35.63 7i1b s LYS 16 CO 0.00 -3.28 -0.15 -1.12 -0.92 0.00 0.00 175.35 169.88 7i1b s SER 17 N -2.95 2.67 0.05 2.83 0.01 -1.05 -2.17 113.70 113.09 7i1b s SER 17 Ca 0.67 -1.01 -0.15 0.00 1.31 0.00 0.00 55.95 56.76 7i1b s SER 17 Cb -0.22 -0.15 -0.06 0.00 0.21 0.00 0.00 66.02 65.80 7i1b s SER 17 CO 0.61 -0.14 0.47 -0.76 0.41 0.00 0.00 173.24 173.83 7i1b s LEU 18 N -3.29 4.46 -0.02 2.44 1.43 -1.24 -2.46 118.68 120.00 7i1b s LEU 18 Ca 0.23 1.05 0.02 0.00 -1.03 0.00 0.00 54.13 54.39 7i1b s LEU 18 Cb -0.01 -2.80 0.01 0.00 0.03 0.00 0.00 46.19 43.42 7i1b s LEU 18 CO 0.08 0.27 -0.05 0.68 0.23 0.00 0.00 176.35 177.55 7i1b s VAL 19 N -1.17 0.51 -0.77 -1.59 -7.23 0.13 -2.75 120.40 107.53 7i1b s VAL 19 Ca 0.28 -0.19 -0.25 0.00 -1.81 0.00 0.00 61.98 60.01 7i1b s VAL 19 Cb -0.17 -0.49 -0.03 0.00 0.56 0.00 0.00 36.38 36.25 7i1b s VAL 19 CO 0.16 0.18 1.89 -0.32 -0.31 0.00 0.00 175.10 176.71 7i1b s MET 20 N 0.41 2.61 0.14 4.82 1.75 -1.26 -0.42 119.30 127.34 7i1b s MET 20 Ca -0.05 0.11 0.26 0.00 -1.25 0.00 0.00 55.69 54.76 7i1b s MET 20 Cb -0.09 -4.75 0.76 0.00 2.84 0.00 0.00 34.83 33.59 7i1b s MET 20 CO -0.00 -3.06 1.67 0.45 -0.65 0.00 0.00 175.02 173.43 7i1b n SER 21 N 13.30 0.62 -2.76 1.11 2.88 -0.86 -4.93 113.62 122.98 7i1b n SER 21 Ca 0.31 0.39 -0.10 0.00 -1.33 0.00 0.00 58.87 58.14 7i1b n SER 21 Cb 0.49 -0.44 0.02 0.00 -0.75 0.00 0.00 64.21 63.53 7i1b n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 7i1b n GLY 22 N 1.36 1.26 0.46 0.46 0.00 -0.46 -4.98 105.19 103.30 7i1b n GLY 22 Ca 0.05 -1.33 -0.17 0.00 0.00 0.00 0.00 46.02 44.57 7i1b n GLY 22 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 7i1b h PRO 23 N 0.00 -0.99 -0.70 1.61 0.11 -2.02 -3.20 132.00 126.81 7i1b h PRO 23 Ca -0.31 0.07 -0.47 0.00 0.11 0.00 0.00 66.00 65.39 7i1b h PRO 23 Cb 1.18 0.23 -0.30 0.00 0.11 0.00 0.00 31.00 32.22 7i1b h PRO 23 CO 0.40 -0.66 -0.16 0.66 -0.21 0.00 0.00 178.00 178.03 7i1b n TYR 24 N -5.17 2.38 -3.75 0.65 4.01 -1.26 -4.97 117.16 109.05 7i1b n TYR 24 Ca -0.13 -2.25 -0.14 0.00 -0.16 0.00 0.00 57.90 55.22 7i1b n TYR 24 Cb 0.44 -0.68 -0.15 0.00 -0.31 0.00 0.00 39.34 38.64 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 -3.56 0.03 0.26 -0.72 2.02 -1.21 -4.43 118.70 111.10 7i1b s GLU 25 Ca 0.53 0.30 0.11 0.00 0.02 0.00 0.00 54.97 55.92 7i1b s GLU 25 Cb 0.44 -0.22 -0.05 0.00 0.10 0.00 0.00 34.13 34.40 7i1b s GLU 25 CO 0.01 -0.17 -0.10 -0.51 0.02 0.00 0.00 175.26 174.51 7i1b s LEU 26 N 1.18 2.89 -0.02 1.80 1.43 -1.26 -1.35 118.68 123.36 7i1b s LEU 26 Ca -0.09 -0.81 -0.03 0.00 -1.03 0.00 0.00 54.13 52.18 7i1b s LEU 26 Cb -0.12 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.67 7i1b s LEU 26 CO -0.05 0.03 0.06 -0.54 0.23 0.00 0.00 176.35 176.09 7i1b s LYS 27 N -3.47 0.16 -0.22 1.70 1.02 0.44 -2.51 119.74 116.86 7i1b s LYS 27 Ca 0.30 -0.06 -0.06 0.00 0.02 0.00 0.00 55.97 56.17 7i1b s LYS 27 Cb -0.06 0.07 -0.02 0.00 -0.52 0.00 0.00 37.83 37.29 7i1b s LYS 27 CO 0.17 -0.03 0.02 0.00 -0.92 0.00 0.00 175.35 174.60 7i1b s ALA 28 N -0.33 3.07 0.37 5.17 0.00 -1.08 0.21 121.76 129.17 7i1b s ALA 28 Ca -0.04 -1.05 -0.05 0.00 0.00 0.00 0.00 51.96 50.81 7i1b s ALA 28 Cb -0.03 -1.89 0.02 0.00 0.00 0.00 0.00 23.12 21.23 7i1b s ALA 28 CO 0.00 -0.30 0.58 -0.48 0.00 0.00 0.00 175.76 175.56 7i1b s LEU 29 N 1.26 0.78 -0.44 0.00 0.05 -1.03 -3.56 118.68 115.75 7i1b s LEU 29 Ca 0.04 -1.44 -0.29 0.00 0.05 0.00 0.00 54.13 52.49 7i1b s LEU 29 Cb -0.15 1.88 0.01 0.00 -2.05 0.00 0.00 46.19 45.88 7i1b s LEU 29 CO 0.02 -1.45 1.46 -1.00 -0.55 0.00 0.00 176.35 174.83 7i1b s HIS 30 N -2.69 2.30 -0.21 3.48 3.76 -1.26 -2.52 115.29 118.15 7i1b s HIS 30 Ca 0.27 0.64 -0.12 0.00 -0.15 0.00 0.00 55.06 55.69 7i1b s HIS 30 Cb -0.02 -4.31 -0.05 0.00 1.11 0.00 0.00 32.58 29.32 7i1b s HIS 30 CO 0.19 -2.08 0.22 -1.17 -0.85 0.00 0.00 174.74 171.05 7i1b s LEU 31 N 5.78 4.17 0.08 0.89 2.96 -1.26 -5.01 118.68 126.30 7i1b s LEU 31 Ca 0.62 0.29 -0.26 0.00 -0.22 0.00 0.00 54.13 54.56 7i1b s LEU 31 Cb -0.14 -2.22 0.07 0.00 0.50 0.00 0.00 46.19 44.40 7i1b s LEU 31 CO 0.31 0.08 0.65 -1.58 -1.32 0.00 0.00 176.35 174.49 7i1b s GLN 32 N 0.79 1.17 0.00 1.98 0.74 -1.26 -4.97 119.66 118.12 7i1b s GLN 32 Ca 0.11 -0.25 0.00 0.00 0.05 0.00 0.00 55.36 55.28 7i1b s GLN 32 Cb -0.13 0.54 0.00 0.00 1.10 0.00 0.00 33.01 34.53 7i1b s GLN 32 CO 0.03 -0.48 0.00 0.41 -0.55 0.00 0.00 175.29 174.71 7i1b n GLY 33 N 0.00 -0.78 0.19 2.59 0.00 -1.26 -4.03 105.19 101.90 7i1b n GLY 33 Ca -0.17 -1.71 0.08 0.00 0.00 0.00 0.00 46.02 44.23 7i1b n GLY 33 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 7i1b h GLN 34 N 0.00 0.00 0.00 1.61 4.20 -2.06 0.11 115.11 118.96 7i1b h GLN 34 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 7i1b h GLN 34 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 7i1b h GLN 34 CO 0.00 0.00 0.00 -3.47 -0.67 0.00 0.00 178.83 174.69 7i1b n ASP 35 N -2.18 0.00 0.00 1.46 -0.08 -1.26 -3.26 116.55 111.24 7i1b n ASP 35 Ca -0.01 -0.24 0.00 0.00 -1.51 0.00 0.00 54.79 53.03 7i1b n ASP 35 Cb 0.30 -0.07 0.00 0.00 2.34 0.00 0.00 41.12 43.70 7i1b n ASP 35 CO 0.00 0.00 0.00 0.80 0.12 0.00 0.00 177.20 178.12 7i1b n MET 36 N -1.07 0.00 0.13 -0.67 1.56 0.37 -0.93 117.12 116.51 7i1b n MET 36 Ca 0.08 0.03 0.12 0.00 -0.27 0.00 0.00 57.70 57.66 7i1b n MET 36 Cb 0.05 -1.51 0.26 0.00 2.15 0.00 0.00 33.22 34.17 7i1b n MET 36 CO 0.00 0.00 0.00 1.05 -0.73 0.00 0.00 175.97 176.29 7i1b h GLU 37 N 0.00 0.00 -0.99 2.12 4.11 -1.84 -3.23 114.58 114.75 7i1b h GLU 37 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 7i1b h GLU 37 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 7i1b h GLU 37 CO 0.00 0.00 0.02 0.00 0.07 0.00 0.00 179.01 179.10 7i1b n GLN 38 N -2.53 1.15 -2.88 1.06 10.64 -0.10 -4.80 117.38 119.92 7i1b n GLN 38 Ca 0.04 -0.17 -0.42 0.00 -1.83 0.00 0.00 57.00 54.62 7i1b n GLN 38 Cb 0.47 -1.33 -0.04 0.00 -0.86 0.00 0.00 30.24 28.48 7i1b n GLN 38 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 7i1b s GLN 39 N -0.69 4.22 0.77 2.61 -2.07 -1.22 -4.44 119.66 118.84 7i1b s GLN 39 Ca 0.03 0.99 -0.11 0.00 -1.82 0.00 0.00 55.36 54.45 7i1b s GLN 39 Cb 0.02 -3.63 0.06 0.00 -1.09 0.00 0.00 33.01 28.37 7i1b s GLN 39 CO 0.01 -0.48 1.09 0.08 -1.32 0.00 0.00 175.29 174.66 7i1b s VAL 40 N 2.70 3.37 -0.29 3.63 1.01 -1.11 -5.02 120.40 124.69 7i1b s VAL 40 Ca 0.36 0.44 -0.02 0.00 0.00 0.00 0.00 61.98 62.77 7i1b s VAL 40 Cb -0.16 -2.99 0.09 0.00 0.00 0.00 0.00 36.38 33.33 7i1b s VAL 40 CO 0.08 -0.58 0.10 -0.69 0.00 0.00 0.00 175.10 174.01 7i1b s VAL 41 N -2.95 0.53 -0.01 2.92 1.01 -1.26 -4.71 120.40 115.93 7i1b s VAL 41 Ca 0.61 -1.08 -0.23 0.00 0.00 0.00 0.00 61.98 61.27 7i1b s VAL 41 Cb -0.16 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 7i1b s VAL 41 CO 0.56 -0.63 0.70 -0.36 0.00 0.00 0.00 175.10 175.37 7i1b s PHE 42 N 1.80 3.66 -0.69 5.22 0.40 -0.36 -1.02 117.98 127.00 7i1b s PHE 42 Ca 0.08 1.33 -0.21 0.00 -0.60 0.00 0.00 56.93 57.53 7i1b s PHE 42 Cb -0.17 -2.77 0.09 0.00 0.51 0.00 0.00 43.02 40.69 7i1b s PHE 42 CO -0.27 0.22 0.91 0.45 0.70 0.00 0.00 175.22 177.23 7i1b s SER 43 N 0.26 6.27 0.43 1.36 0.15 0.11 -1.85 113.70 120.42 7i1b s SER 43 Ca 0.37 -1.34 -0.25 0.00 0.70 0.00 0.00 55.95 55.42 7i1b s SER 43 Cb -0.19 -2.38 -0.08 0.00 -1.71 0.00 0.00 66.02 61.66 7i1b s SER 43 CO 0.20 -1.26 1.32 -0.32 1.20 0.00 0.00 173.24 174.37 7i1b s MET 44 N 3.33 3.85 -0.12 5.44 1.75 0.16 -2.61 119.30 131.11 7i1b s MET 44 Ca 0.21 2.17 -0.01 0.00 -1.25 0.00 0.00 55.69 56.81 7i1b s MET 44 Cb -0.17 -2.68 0.03 0.00 2.84 0.00 0.00 34.83 34.85 7i1b s MET 44 CO 0.05 -0.60 -0.03 -1.12 -0.65 0.00 0.00 175.02 172.68 7i1b s SER 45 N -0.76 2.17 -0.55 1.11 0.01 0.33 0.37 113.70 116.37 7i1b s SER 45 Ca 0.59 -0.35 -0.28 0.00 1.31 0.00 0.00 55.95 57.21 7i1b s SER 45 Cb -0.38 -0.68 0.03 0.00 0.21 0.00 0.00 66.02 65.20 7i1b s SER 45 CO 0.49 -0.18 1.18 -0.36 0.41 0.00 0.00 173.24 174.78 7i1b s PHE 46 N 1.81 2.67 0.46 2.43 0.08 -1.17 -0.26 117.98 123.99 7i1b s PHE 46 Ca 0.03 0.51 0.06 0.00 0.12 0.00 0.00 56.93 57.65 7i1b s PHE 46 Cb -0.13 -4.50 0.06 0.00 -0.57 0.00 0.00 43.02 37.88 7i1b s PHE 46 CO -0.07 -1.50 0.50 1.33 -0.10 0.00 0.00 175.22 175.38 7i1b n VAL 47 N 6.73 0.00 -3.62 -0.44 0.24 -1.06 -4.45 118.33 115.74 7i1b n VAL 47 Ca 0.10 -1.68 -0.37 0.00 -2.04 0.00 0.00 64.34 60.34 7i1b n VAL 47 Cb 0.49 -0.36 -0.10 0.00 -1.47 0.00 0.00 33.84 32.40 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 -4.01 4.02 0.00 7.34 0.74 -0.45 -4.76 119.66 122.55 7i1b s GLN 48 Ca 0.38 -0.27 0.00 0.00 0.05 0.00 0.00 55.36 55.52 7i1b s GLN 48 Cb -0.03 -3.59 0.00 0.00 1.10 0.00 0.00 33.01 30.49 7i1b s GLN 48 CO 0.24 -0.05 0.00 0.41 -0.55 0.00 0.00 175.29 175.35 7i1b n GLY 49 N 4.60 2.05 3.52 2.59 0.00 -1.26 -4.71 105.19 111.99 7i1b n GLY 49 Ca -0.14 -0.92 -0.17 0.00 0.00 0.00 0.00 46.02 44.78 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 0.27 -2.78 1.61 -0.58 -1.26 -4.81 120.64 113.09 7i1b n GLU 50 Ca 0.00 -0.45 -0.43 0.00 -0.42 0.00 0.00 57.16 55.87 7i1b n GLU 50 Cb 0.00 -2.36 -0.03 0.00 -0.57 0.00 0.00 31.44 28.48 7i1b n GLU 50 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 7i1b s GLU 51 N 7.92 3.21 0.00 3.49 2.12 -1.26 -4.66 118.70 129.52 7i1b s GLU 51 Ca 1.10 -0.83 0.00 0.00 0.36 0.00 0.00 54.97 55.60 7i1b s GLU 51 Cb -0.47 -4.37 0.00 0.00 0.26 0.00 0.00 34.13 29.55 7i1b s GLU 51 CO 0.32 -1.91 0.00 0.45 -0.54 0.00 0.00 175.26 173.58 7i1b n SER 52 N 8.00 0.00 -0.08 -1.70 2.88 -1.23 -5.02 113.62 116.48 7i1b n SER 52 Ca 0.03 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.35 7i1b n SER 52 Cb 0.47 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.81 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 1.93 0.00 -3.46 2.85 -1.26 -4.64 115.26 110.68 7i1b n ASN 53 Ca 0.00 0.37 0.00 0.00 -0.11 0.00 0.00 54.58 54.84 7i1b n ASN 53 Cb 0.00 -0.94 0.00 0.00 1.24 0.00 0.00 39.78 40.08 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 -4.19 0.76 -4.61 1.20 8.00 -1.26 -4.98 116.55 111.46 7i1b n ASP 54 Ca -0.33 -0.42 -0.43 0.00 0.71 0.00 0.00 54.79 54.32 7i1b n ASP 54 Cb 0.78 0.99 -0.02 0.00 -0.02 0.00 0.00 41.12 42.85 7i1b n ASP 54 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 7i1b s LYS 55 N -1.15 3.72 -0.52 -1.24 1.02 -1.26 -4.38 119.74 115.93 7i1b s LYS 55 Ca 0.00 1.12 -0.02 0.00 0.02 0.00 0.00 55.97 57.09 7i1b s LYS 55 Cb 0.00 -3.97 0.14 0.00 -0.52 0.00 0.00 37.83 33.47 7i1b s LYS 55 CO 0.00 -1.38 0.32 0.42 -0.92 0.00 0.00 175.35 173.79 7i1b s ILE 56 N 5.04 3.40 -0.06 2.17 1.01 -1.05 -3.49 121.20 128.22 7i1b s ILE 56 Ca 0.60 -2.63 -0.29 0.00 0.00 0.00 0.00 60.65 58.33 7i1b s ILE 56 Cb -0.16 -3.28 -0.07 0.00 0.01 0.00 0.00 42.46 38.97 7i1b s ILE 56 CO 0.29 -0.79 1.93 -2.84 0.00 0.00 0.00 174.94 173.53 7i1b s PRO 57 N 0.40 3.89 0.05 2.79 0.02 -1.26 -2.16 135.00 138.72 7i1b s PRO 57 Ca 0.13 2.31 0.01 0.00 0.02 0.00 0.00 61.00 63.47 7i1b s PRO 57 Cb -0.22 -4.17 -0.00 0.00 0.02 0.00 0.00 34.50 30.13 7i1b s PRO 57 CO -0.04 -1.23 0.02 1.33 -0.33 0.00 0.00 177.00 176.75 7i1b n VAL 58 N 6.12 0.00 -3.73 3.83 0.24 -0.86 -2.55 118.33 121.38 7i1b n VAL 58 Ca 0.21 -0.30 -0.16 0.00 -2.04 0.00 0.00 64.34 62.05 7i1b n VAL 58 Cb 0.43 0.11 -0.16 0.00 -1.47 0.00 0.00 33.84 32.75 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 0.06 -0.47 2.33 0.00 0.63 -1.60 121.76 120.57 7i1b s ALA 59 Ca 0.03 0.34 -0.16 0.00 0.00 0.00 0.00 51.96 52.17 7i1b s ALA 59 Cb 0.00 -0.41 0.06 0.00 0.00 0.00 0.00 23.12 22.77 7i1b s ALA 59 CO 0.02 -0.25 0.43 -0.51 0.00 0.00 0.00 175.76 175.45 7i1b s LEU 60 N 1.46 5.44 -0.16 0.00 1.43 -1.26 -0.52 118.68 125.07 7i1b s LEU 60 Ca -0.05 -1.20 0.01 0.00 -1.03 0.00 0.00 54.13 51.87 7i1b s LEU 60 Cb -0.12 -2.23 0.02 0.00 0.03 0.00 0.00 46.19 43.88 7i1b s LEU 60 CO -0.04 -0.67 -0.19 -0.83 0.23 0.00 0.00 176.35 174.86 7i1b s GLY 61 N 2.50 1.33 -0.08 -3.19 0.00 -1.07 -2.64 107.32 104.17 7i1b s GLY 61 Ca 0.06 -1.13 -0.40 0.00 0.00 0.00 0.00 44.72 43.26 7i1b s GLY 61 CO 0.08 0.25 1.37 1.04 0.00 0.00 0.00 173.10 175.84 7i1b n LEU 62 N 4.51 1.26 -0.09 0.66 4.77 -0.64 0.04 117.00 127.51 7i1b n LEU 62 Ca -0.20 1.13 -0.10 0.00 -0.03 0.00 0.00 56.01 56.81 7i1b n LEU 62 Cb 0.50 -1.07 -0.03 0.00 -2.33 0.00 0.00 43.42 40.50 7i1b n LEU 62 CO 0.25 -1.15 0.88 0.50 -1.33 0.00 0.00 177.39 176.55 7i1b h LYS 63 N 4.66 0.43 0.59 3.23 3.64 -1.38 -3.24 116.57 124.49 7i1b h LYS 63 Ca -0.48 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 58.79 7i1b h LYS 63 Cb 1.36 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 33.12 7i1b h LYS 63 CO 0.80 0.45 -0.28 0.93 -2.27 0.00 0.00 179.45 179.08 7i1b h GLU 64 N 0.31 -0.76 -6.19 1.90 5.08 -1.88 -3.45 114.58 109.59 7i1b h GLU 64 Ca 0.09 0.05 -0.55 0.00 -1.00 0.00 0.00 59.36 57.96 7i1b h GLU 64 Cb 0.18 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 7i1b h GLU 64 CO -0.01 -0.50 -0.23 0.15 -1.00 0.00 0.00 179.01 177.42 7i1b s LYS 65 N -6.03 2.28 -0.61 2.33 1.02 -1.22 -5.02 119.74 112.48 7i1b s LYS 65 Ca -0.17 -1.88 -0.00 0.00 0.02 0.00 0.00 55.97 53.94 7i1b s LYS 65 Cb 0.04 -2.30 0.50 0.00 -0.52 0.00 0.00 37.83 35.55 7i1b s LYS 65 CO 0.62 -0.70 2.00 0.27 -0.92 0.00 0.00 175.35 176.62 7i1b n ASN 66 N -1.94 6.75 -4.74 2.83 0.23 -1.26 -4.31 115.26 112.83 7i1b n ASN 66 Ca 0.05 -3.75 -0.38 0.00 -0.53 0.00 0.00 54.58 49.97 7i1b n ASN 66 Cb 0.63 -0.94 -0.06 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 -3.70 4.32 -0.13 -4.53 1.43 -1.26 -2.73 118.68 112.08 7i1b s LEU 67 Ca 0.63 0.91 0.02 0.00 -1.03 0.00 0.00 54.13 54.65 7i1b s LEU 67 Cb 0.50 -2.75 -0.00 0.00 0.03 0.00 0.00 46.19 43.97 7i1b s LEU 67 CO 0.02 0.04 -0.19 -0.31 0.23 0.00 0.00 176.35 176.14 7i1b s TYR 68 N 0.37 2.69 0.46 0.29 1.51 -1.01 -1.63 117.35 120.02 7i1b s TYR 68 Ca 0.27 -1.00 -0.25 0.00 -1.01 0.00 0.00 57.07 55.09 7i1b s TYR 68 Cb -0.16 -1.80 -0.08 0.00 -0.11 0.00 0.00 41.96 39.81 7i1b s TYR 68 CO 0.12 -0.41 1.38 -0.51 -1.11 0.00 0.00 175.55 175.01 7i1b s LEU 69 N 0.53 4.09 -0.11 -1.29 1.02 -1.08 -1.83 118.68 120.01 7i1b s LEU 69 Ca -0.12 2.81 -0.10 0.00 0.02 0.00 0.00 54.13 56.74 7i1b s LEU 69 Cb -0.16 -4.00 0.03 0.00 0.02 0.00 0.00 46.19 42.08 7i1b s LEU 69 CO 0.04 -1.16 0.30 -0.94 0.02 0.00 0.00 176.35 174.61 7i1b s SER 70 N -0.67 -0.31 -0.30 2.29 1.04 0.13 -4.40 113.70 111.48 7i1b s SER 70 Ca 0.62 0.60 -0.22 0.00 0.48 0.00 0.00 55.95 57.43 7i1b s SER 70 Cb -0.41 0.59 -0.00 0.00 0.10 0.00 0.00 66.02 66.29 7i1b s SER 70 CO 0.52 -0.12 0.73 0.00 0.98 0.00 0.00 173.24 175.36 7i1b s VAL 72 N 2.81 0.63 0.21 0.00 -7.23 -1.00 -4.78 120.40 111.04 7i1b s VAL 72 Ca 0.30 -1.69 -0.23 0.00 -1.81 0.00 0.00 61.98 58.56 7i1b s VAL 72 Cb -0.15 -1.37 -0.08 0.00 0.56 0.00 0.00 36.38 35.34 7i1b s VAL 72 CO 0.11 -0.74 0.77 -0.76 -0.31 0.00 0.00 175.10 174.17 7i1b s LEU 73 N -2.62 4.45 -0.47 1.32 1.43 -1.26 -1.68 118.68 119.86 7i1b s LEU 73 Ca 0.05 1.56 0.03 0.00 -1.03 0.00 0.00 54.13 54.75 7i1b s LEU 73 Cb 0.01 -3.49 0.16 0.00 0.03 0.00 0.00 46.19 42.90 7i1b s LEU 73 CO -0.04 0.10 0.34 -0.54 0.23 0.00 0.00 176.35 176.44 7i1b s LYS 74 N -1.61 1.26 0.00 1.70 1.02 -0.31 -4.78 119.74 117.01 7i1b s LYS 74 Ca 0.40 -2.25 0.00 0.00 0.02 0.00 0.00 55.97 54.15 7i1b s LYS 74 Cb -0.20 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 7i1b s LYS 74 CO 0.23 -1.30 0.00 -0.25 -0.92 0.00 0.00 175.35 173.11 7i1b n ASP 75 N 2.95 -1.46 -0.04 2.83 8.00 -1.26 -3.77 116.55 123.81 7i1b n ASP 75 Ca 0.21 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.71 7i1b n ASP 75 Cb 0.41 -0.36 -0.00 0.00 -0.02 0.00 0.00 41.12 41.15 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 0.68 -4.57 -4.17 -2.24 8.00 -1.26 -4.98 116.55 108.01 7i1b n ASP 76 Ca 0.00 0.01 -0.33 0.00 0.71 0.00 0.00 54.79 55.18 7i1b n ASP 76 Cb 0.36 -2.12 -0.16 0.00 -0.02 0.00 0.00 41.12 39.19 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 -1.15 3.05 0.50 -1.24 2.20 -1.25 -5.09 119.74 116.77 7i1b s LYS 77 Ca 0.00 -0.81 -0.23 0.00 -0.36 0.00 0.00 55.97 54.57 7i1b s LYS 77 Cb 0.00 -2.56 -0.07 0.00 -1.51 0.00 0.00 37.83 33.69 7i1b s LYS 77 CO 0.00 -0.12 1.24 -2.30 -0.36 0.00 0.00 175.35 173.81 7i1b n PRO 78 N 4.38 1.64 -3.83 4.03 -0.02 -1.26 -1.16 135.00 138.78 7i1b n PRO 78 Ca -0.20 0.60 -0.09 0.00 -2.02 0.00 0.00 63.50 61.78 7i1b n PRO 78 Cb 0.51 -2.41 -0.04 0.00 -0.02 0.00 0.00 33.50 31.54 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 -1.29 0.01 -0.13 3.45 2.01 -0.67 -4.70 115.64 114.32 7i1b s THR 79 Ca 0.68 -0.99 -0.04 0.00 0.31 0.00 0.00 61.69 61.64 7i1b s THR 79 Cb -0.46 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 7i1b s THR 79 CO 0.53 -0.07 0.03 -0.22 -0.69 0.00 0.00 174.62 174.20 7i1b s LEU 80 N -2.92 3.68 0.07 4.42 2.96 -1.26 -2.37 118.68 123.27 7i1b s LEU 80 Ca 0.13 0.11 -0.20 0.00 -0.22 0.00 0.00 54.13 53.95 7i1b s LEU 80 Cb -0.02 -1.88 0.05 0.00 0.50 0.00 0.00 46.19 44.84 7i1b s LEU 80 CO 0.02 0.28 0.49 -1.58 -1.32 0.00 0.00 176.35 174.24 7i1b s GLN 81 N -0.31 1.05 0.12 1.98 0.74 -0.91 -4.81 119.66 117.53 7i1b s GLN 81 Ca 0.07 -0.38 -0.06 0.00 0.05 0.00 0.00 55.36 55.04 7i1b s GLN 81 Cb -0.12 0.47 -0.06 0.00 1.10 0.00 0.00 33.01 34.41 7i1b s GLN 81 CO 0.02 -0.39 0.38 -0.51 -0.55 0.00 0.00 175.29 174.24 7i1b s LEU 82 N -2.23 4.29 -0.12 3.68 1.43 -1.26 0.22 118.68 124.69 7i1b s LEU 82 Ca -0.03 0.65 -0.04 0.00 -1.03 0.00 0.00 54.13 53.68 7i1b s LEU 82 Cb -0.00 -3.22 0.06 0.00 0.03 0.00 0.00 46.19 43.06 7i1b s LEU 82 CO -0.05 0.09 0.22 -0.70 0.23 0.00 0.00 176.35 176.13 7i1b s GLU 83 N -2.44 0.11 0.03 1.70 2.12 -0.76 -4.91 118.70 114.55 7i1b s GLU 83 Ca 0.39 0.61 -0.30 0.00 0.36 0.00 0.00 54.97 56.02 7i1b s GLU 83 Cb -0.13 -0.27 -0.08 0.00 0.26 0.00 0.00 34.13 33.91 7i1b s GLU 83 CO 0.22 -0.34 1.83 -1.54 -0.54 0.00 0.00 175.26 174.90 7i1b s SER 84 N 2.36 6.52 0.04 -1.70 1.04 -1.26 -2.42 113.70 118.27 7i1b s SER 84 Ca 0.03 2.55 0.00 0.00 0.48 0.00 0.00 55.95 59.01 7i1b s SER 84 Cb -0.12 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.46 7i1b s SER 84 CO -0.08 -1.00 0.00 1.33 0.98 0.00 0.00 173.24 174.48 7i1b n VAL 85 N 5.33 0.00 -3.08 5.02 0.24 -1.10 -4.97 118.33 119.76 7i1b n VAL 85 Ca 0.18 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.06 7i1b n VAL 85 Cb 0.41 -1.11 -0.06 0.00 -1.47 0.00 0.00 33.84 31.61 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 6.43 0.00 -1.34 2.15 -1.26 -4.90 116.67 116.74 7i1b s ASP 86 Ca 0.00 0.09 0.07 0.00 0.43 0.00 0.00 52.55 53.14 7i1b s ASP 86 Cb 0.00 -2.34 0.34 0.00 -0.30 0.00 0.00 42.92 40.62 7i1b s ASP 86 CO 0.00 -0.66 1.12 -0.81 -0.17 0.00 0.00 175.17 174.66 7i1b n PRO 87 N 6.16 0.07 -0.11 4.34 -0.04 -1.26 -1.36 135.00 142.80 7i1b n PRO 87 Ca -0.01 0.27 -0.19 0.00 -0.04 0.00 0.00 63.50 63.54 7i1b n PRO 87 Cb 0.48 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.35 0.67 0.02 0.54 5.02 -1.26 -4.62 118.16 117.17 7i1b n LYS 88 Ca 0.03 0.17 -0.21 0.00 -2.02 0.00 0.00 58.31 56.28 7i1b n LYS 88 Cb 0.06 -1.55 -0.14 0.00 -0.02 0.00 0.00 35.03 33.39 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 0.39 -3.63 4.39 2.35 -1.90 -3.46 115.58 113.71 7i1b h ASN 89 Ca -0.56 -0.87 -0.50 0.00 -0.55 0.00 0.00 56.30 53.81 7i1b h ASN 89 Cb 1.91 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 40.14 7i1b h ASN 89 CO -0.07 1.54 0.04 -0.31 -1.65 0.00 0.00 177.43 176.98 7i1b s TYR 90 N -2.46 3.41 0.69 1.19 2.02 -0.46 -4.39 117.35 117.36 7i1b s TYR 90 Ca -0.18 1.07 -0.12 0.00 -0.37 0.00 0.00 57.07 57.47 7i1b s TYR 90 Cb 0.03 -2.43 0.16 0.00 -0.40 0.00 0.00 41.96 39.33 7i1b s TYR 90 CO 0.78 0.08 0.85 -0.35 -1.57 0.00 0.00 175.55 175.34 7i1b n PRO 91 N -0.59 -1.24 -3.78 -1.71 -0.04 -1.26 -4.67 135.00 121.71 7i1b n PRO 91 Ca 0.02 -1.32 -0.04 0.00 -0.04 0.00 0.00 63.50 62.13 7i1b n PRO 91 Cb 0.53 -0.95 -0.01 0.00 -0.04 0.00 0.00 33.50 33.03 7i1b n PRO 91 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 7i1b s LYS 92 N -4.86 1.34 0.17 0.54 -2.85 -1.26 -5.04 119.74 107.78 7i1b s LYS 92 Ca 0.49 -0.75 -0.09 0.00 -1.00 0.00 0.00 55.97 54.62 7i1b s LYS 92 Cb -0.02 0.45 0.05 0.00 -2.06 0.00 0.00 37.83 36.24 7i1b s LYS 92 CO 0.35 -0.61 1.59 1.57 0.10 0.00 0.00 175.35 178.34 7i1b h LYS 93 N 2.00 1.00 -6.00 1.78 2.10 -1.93 -3.44 116.57 112.09 7i1b h LYS 93 Ca -0.24 -0.39 -0.63 0.00 -2.00 0.00 0.00 60.65 57.39 7i1b h LYS 93 Cb 1.23 -0.05 -0.07 0.00 -0.90 0.00 0.00 32.23 32.45 7i1b h LYS 93 CO 0.26 1.07 -0.54 0.21 -2.00 0.00 0.00 179.45 178.45 7i1b s LYS 94 N -4.76 3.21 -0.03 0.07 2.47 -1.26 -1.34 119.74 118.09 7i1b s LYS 94 Ca -0.11 -0.51 -0.07 0.00 -1.56 0.00 0.00 55.97 53.72 7i1b s LYS 94 Cb 0.13 -2.92 0.01 0.00 -1.46 0.00 0.00 37.83 33.58 7i1b s LYS 94 CO 0.86 0.61 0.15 -1.64 0.16 0.00 0.00 175.35 175.50 7i1b s MET 95 N -2.27 0.36 0.71 4.03 -1.94 -1.26 -4.99 119.30 113.92 7i1b s MET 95 Ca 0.30 -0.12 -0.15 0.00 -1.71 0.00 0.00 55.69 54.01 7i1b s MET 95 Cb -0.13 0.15 0.03 0.00 2.01 0.00 0.00 34.83 36.89 7i1b s MET 95 CO 0.23 -0.07 1.17 -1.21 -0.01 0.00 0.00 175.02 175.12 7i1b s GLU 96 N -0.73 2.37 0.49 2.03 2.02 -1.26 -4.72 118.70 118.90 7i1b s GLU 96 Ca -0.08 1.62 0.24 0.00 0.02 0.00 0.00 54.97 56.77 7i1b s GLU 96 Cb -0.05 -1.88 1.31 0.00 0.10 0.00 0.00 34.13 33.61 7i1b s GLU 96 CO 0.01 -1.63 1.92 0.87 0.02 0.00 0.00 175.26 176.45 7i1b h LYS 97 N -0.19 0.14 -0.94 1.61 1.79 -1.93 0.33 116.57 117.38 7i1b h LYS 97 Ca -0.47 -0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.04 7i1b h LYS 97 Cb 1.28 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.84 7i1b h LYS 97 CO 0.51 0.10 0.62 0.07 -1.08 0.00 0.00 179.45 179.66 7i1b h ARG 98 N 0.15 1.10 -0.00 3.15 0.11 -1.89 -1.78 114.38 115.21 7i1b h ARG 98 Ca 0.37 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 60.38 7i1b h ARG 98 Cb 1.23 -0.25 0.00 0.00 1.11 0.00 0.00 29.97 32.07 7i1b h ARG 98 CO -0.06 0.72 -0.63 1.19 0.10 0.00 0.00 179.97 181.30 7i1b n PHE 99 N -4.47 0.00 -3.03 4.08 3.72 0.02 -2.71 117.46 115.06 7i1b n PHE 99 Ca 0.14 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.13 7i1b n PHE 99 Cb 0.15 -0.16 -0.05 0.00 -0.94 0.00 0.00 39.48 38.49 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 -2.94 4.96 -0.16 -4.37 1.01 -0.67 -4.21 120.40 114.02 7i1b s VAL 100 Ca 0.11 1.33 0.01 0.00 0.00 0.00 0.00 61.98 63.43 7i1b s VAL 100 Cb 0.17 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.56 7i1b s VAL 100 CO 0.73 0.05 -0.18 -0.36 0.00 0.00 0.00 175.10 175.34 7i1b s PHE 101 N 2.19 2.49 -0.65 5.22 0.40 -0.63 -2.15 117.98 124.85 7i1b s PHE 101 Ca 0.31 -1.39 -0.27 0.00 -0.60 0.00 0.00 56.93 54.98 7i1b s PHE 101 Cb -0.16 -1.75 0.00 0.00 0.51 0.00 0.00 43.02 41.62 7i1b s PHE 101 CO 0.10 -0.70 1.59 -0.80 0.70 0.00 0.00 175.22 176.11 7i1b s ASN 102 N 1.23 5.72 -0.51 1.36 0.01 -0.79 -2.02 114.94 119.94 7i1b s ASN 102 Ca 0.02 0.04 -0.28 0.00 -0.71 0.00 0.00 52.86 51.92 7i1b s ASN 102 Cb -0.14 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 39.00 7i1b s ASN 102 CO -0.09 -2.09 1.33 -0.75 -1.51 0.00 0.00 177.10 173.99 7i1b s LYS 103 N 6.35 3.48 0.18 -0.60 2.36 -0.92 -2.57 119.74 128.03 7i1b s LYS 103 Ca 0.53 0.56 0.05 0.00 -2.55 0.00 0.00 55.97 54.56 7i1b s LYS 103 Cb -0.11 -4.04 -0.04 0.00 -1.05 0.00 0.00 37.83 32.59 7i1b s LYS 103 CO 0.19 -1.70 0.15 0.42 1.55 0.00 0.00 175.35 175.96 7i1b s ILE 104 N 5.43 4.51 -0.11 5.43 1.01 -0.46 -2.51 121.20 134.50 7i1b s ILE 104 Ca 0.52 -1.12 0.03 0.00 0.00 0.00 0.00 60.65 60.07 7i1b s ILE 104 Cb -0.10 -3.33 -0.01 0.00 0.01 0.00 0.00 42.46 39.03 7i1b s ILE 104 CO 0.28 -0.15 -0.20 -1.61 0.00 0.00 0.00 174.94 173.26 7i1b s GLU 105 N -3.24 3.13 -0.24 2.79 2.02 -1.26 -1.08 118.70 120.82 7i1b s GLU 105 Ca 0.31 -0.80 -0.02 0.00 0.02 0.00 0.00 54.97 54.48 7i1b s GLU 105 Cb -0.10 -2.42 0.12 0.00 0.10 0.00 0.00 34.13 31.83 7i1b s GLU 105 CO 0.24 0.22 0.30 0.42 0.02 0.00 0.00 175.26 176.46 7i1b s ILE 106 N 0.28 -0.46 -0.92 -1.63 -1.09 0.13 -4.92 121.20 112.60 7i1b s ILE 106 Ca -0.14 -0.20 -0.02 0.00 -2.23 0.00 0.00 60.65 58.06 7i1b s ILE 106 Cb -0.17 -0.82 -0.02 0.00 -1.58 0.00 0.00 42.46 39.87 7i1b s ILE 106 CO 0.07 -0.25 0.78 -3.20 -1.23 0.00 0.00 174.94 171.11 7i1b n ASN 107 N 5.33 -3.26 -0.75 3.58 5.15 -1.26 -2.16 115.26 121.89 7i1b n ASN 107 Ca -0.04 -0.52 -0.09 0.00 -0.60 0.00 0.00 54.58 53.34 7i1b n ASN 107 Cb 0.49 -4.22 -0.04 0.00 -0.53 0.00 0.00 39.78 35.49 7i1b n ASN 107 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 7i1b n ASN 108 N -2.76 -5.01 -4.54 1.20 4.13 -1.26 -4.93 115.26 102.09 7i1b n ASN 108 Ca -0.17 0.22 -0.26 0.00 1.68 0.00 0.00 54.58 56.05 7i1b n ASN 108 Cb 0.62 -3.69 -0.10 0.00 -1.54 0.00 0.00 39.78 35.07 7i1b n ASN 108 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 7i1b s LYS 109 N -2.62 1.93 0.09 3.52 -0.14 -0.92 -5.00 119.74 116.60 7i1b s LYS 109 Ca 0.00 -1.39 0.04 0.00 -1.36 0.00 0.00 55.97 53.26 7i1b s LYS 109 Cb 0.00 -2.05 -0.04 0.00 -1.68 0.00 0.00 37.83 34.06 7i1b s LYS 109 CO 0.00 0.41 0.03 -0.51 -0.76 0.00 0.00 175.35 174.52 7i1b s LEU 110 N -2.96 3.58 -0.14 3.17 1.43 -0.37 -0.69 118.68 122.70 7i1b s LEU 110 Ca 0.25 -0.12 -0.04 0.00 -1.03 0.00 0.00 54.13 53.19 7i1b s LEU 110 Cb -0.08 -2.29 0.06 0.00 0.03 0.00 0.00 46.19 43.91 7i1b s LEU 110 CO 0.15 0.17 0.11 -1.61 0.23 0.00 0.00 176.35 175.39 7i1b s GLU 111 N -2.36 0.04 -0.35 1.70 2.02 -0.24 -0.27 118.70 119.24 7i1b s GLU 111 Ca 0.27 0.12 -0.17 0.00 0.02 0.00 0.00 54.97 55.21 7i1b s GLU 111 Cb -0.12 -1.30 -0.01 0.00 0.10 0.00 0.00 34.13 32.81 7i1b s GLU 111 CO 0.20 -0.55 0.46 -0.06 0.02 0.00 0.00 175.26 175.32 7i1b s PHE 112 N 2.18 3.19 -0.16 1.61 0.08 -1.26 -1.35 117.98 122.27 7i1b s PHE 112 Ca 0.03 0.09 -0.08 0.00 0.12 0.00 0.00 56.93 57.10 7i1b s PHE 112 Cb -0.15 -2.84 -0.04 0.00 -0.57 0.00 0.00 43.02 39.42 7i1b s PHE 112 CO -0.08 -0.51 0.10 -2.00 -0.10 0.00 0.00 175.22 172.64 7i1b s GLU 113 N 2.25 3.76 -0.30 0.44 2.12 -1.06 -2.26 118.70 123.66 7i1b s GLU 113 Ca 0.16 -0.24 -0.28 0.00 0.36 0.00 0.00 54.97 54.97 7i1b s GLU 113 Cb -0.16 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 30.98 7i1b s GLU 113 CO 0.13 0.50 1.94 0.45 -0.54 0.00 0.00 175.26 177.74 7i1b s SER 114 N -0.23 5.72 0.60 -1.70 0.15 -0.26 -1.88 113.70 116.10 7i1b s SER 114 Ca 0.10 1.48 0.26 0.00 0.70 0.00 0.00 55.95 58.49 7i1b s SER 114 Cb -0.12 -2.52 1.42 0.00 -1.71 0.00 0.00 66.02 63.09 7i1b s SER 114 CO 0.01 -1.81 1.78 0.00 1.20 0.00 0.00 173.24 174.42 7i1b h ALA 115 N 13.69 1.32 0.00 5.45 0.00 -1.59 -0.91 119.26 137.23 7i1b h ALA 115 Ca -0.36 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 7i1b h ALA 115 Cb 1.19 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 7i1b h ALA 115 CO 1.01 -0.32 -0.43 0.37 0.00 0.00 0.00 179.25 179.88 7i1b h GLN 116 N 0.00 0.00 -3.59 0.00 -0.00 -1.80 -3.42 115.11 106.30 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 0.68 0.00 -0.36 0.00 0.00 0.00 0.00 27.48 27.80 7i1b h GLN 116 CO 0.00 0.88 -0.38 -0.06 0.00 0.00 0.00 178.83 179.26 7i1b s PHE 117 N -2.21 3.40 0.68 3.99 0.08 -0.35 -5.09 117.98 118.47 7i1b s PHE 117 Ca -0.21 -2.75 -0.17 0.00 0.12 0.00 0.00 56.93 53.92 7i1b s PHE 117 Cb 0.00 -3.17 0.00 0.00 -0.57 0.00 0.00 43.02 39.29 7i1b s PHE 117 CO 0.58 -0.83 1.23 -2.30 -0.10 0.00 0.00 175.22 173.80 7i1b n PRO 118 N 3.46 0.89 0.00 0.24 -0.02 -1.18 -2.19 135.00 136.21 7i1b n PRO 118 Ca 0.08 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 7i1b n PRO 118 Cb 0.37 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 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 -2.02 0.00 -4.42 2.55 3.02 -1.26 -5.00 115.26 108.13 7i1b n ASN 119 Ca 0.15 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.34 7i1b n ASN 119 Cb 0.48 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.53 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 -2.63 3.05 0.52 3.10 0.52 -0.93 -4.64 118.94 117.93 7i1b s TRP 120 Ca 0.00 -0.54 0.02 0.00 0.02 0.00 0.00 56.10 55.60 7i1b s TRP 120 Cb 0.00 -2.18 -0.00 0.00 -1.15 0.00 0.00 33.47 30.14 7i1b s TRP 120 CO 0.00 -0.37 0.08 0.71 0.02 0.00 0.00 176.95 177.39 7i1b s TYR 121 N 1.46 1.81 -0.02 -1.98 1.51 -0.67 -1.10 117.35 118.35 7i1b s TYR 121 Ca 0.05 -0.94 -0.22 0.00 -1.01 0.00 0.00 57.07 54.96 7i1b s TYR 121 Cb -0.15 -1.67 -0.05 0.00 -0.11 0.00 0.00 41.96 39.99 7i1b s TYR 121 CO 0.02 0.09 0.64 0.42 -1.11 0.00 0.00 175.55 175.61 7i1b s ILE 122 N -2.86 4.93 0.18 2.71 1.01 -0.96 -1.63 121.20 124.58 7i1b s ILE 122 Ca 0.11 1.34 -0.09 0.00 0.00 0.00 0.00 60.65 62.01 7i1b s ILE 122 Cb 0.01 -3.98 -0.01 0.00 0.01 0.00 0.00 42.46 38.48 7i1b s ILE 122 CO 0.06 0.36 0.30 -0.44 0.00 0.00 0.00 174.94 175.22 7i1b s SER 123 N 0.15 0.03 0.19 3.58 0.01 -0.77 -4.44 113.70 112.44 7i1b s SER 123 Ca 0.34 -0.93 0.08 0.00 1.31 0.00 0.00 55.95 56.74 7i1b s SER 123 Cb -0.18 0.46 -0.04 0.00 0.21 0.00 0.00 66.02 66.46 7i1b s SER 123 CO 0.18 -0.93 -0.16 0.42 0.41 0.00 0.00 173.24 173.16 7i1b s THR 124 N -4.00 1.74 -0.11 1.44 -4.23 -0.60 -2.63 115.64 107.25 7i1b s THR 124 Ca 0.20 -2.09 -0.25 0.00 -1.18 0.00 0.00 61.69 58.38 7i1b s THR 124 Cb 0.03 -1.95 -0.03 0.00 1.34 0.00 0.00 72.50 71.90 7i1b s THR 124 CO 0.03 -0.50 0.78 -0.55 -0.54 0.00 0.00 174.62 173.85 7i1b s SER 125 N -3.06 7.00 0.56 3.99 0.15 -1.26 -2.74 113.70 118.34 7i1b s SER 125 Ca 0.19 1.21 0.37 0.00 0.70 0.00 0.00 55.95 58.43 7i1b s SER 125 Cb -0.03 -2.44 1.50 0.00 -1.71 0.00 0.00 66.02 63.34 7i1b s SER 125 CO 0.07 -0.27 1.70 -0.61 1.20 0.00 0.00 173.24 175.33 7i1b h GLN 126 N 7.06 0.00 -6.80 5.44 4.15 -1.97 -3.41 115.11 119.58 7i1b h GLN 126 Ca -0.35 0.00 -0.47 0.00 0.77 0.00 0.00 58.65 58.60 7i1b h GLN 126 Cb 1.17 0.00 0.23 0.00 0.21 0.00 0.00 27.48 29.08 7i1b h GLN 126 CO 0.79 0.00 -0.75 0.00 -1.93 0.00 0.00 178.83 176.95 7i1b n ALA 127 N -2.67 -3.54 -2.40 3.38 0.00 -1.26 -4.96 120.51 109.05 7i1b n ALA 127 Ca 0.27 -1.13 -0.31 0.00 0.00 0.00 0.00 53.44 52.27 7i1b n ALA 127 Cb 1.37 -1.68 -0.05 0.00 0.00 0.00 0.00 19.45 19.09 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 -3.70 3.78 -0.46 0.00 8.01 -1.26 -4.57 118.70 120.50 7i1b s GLU 128 Ca 0.59 0.26 -0.37 0.00 0.01 0.00 0.00 54.97 55.47 7i1b s GLU 128 Cb -0.16 -2.61 0.05 0.00 -4.31 0.00 0.00 34.13 27.10 7i1b s GLU 128 CO 0.66 0.26 0.66 0.09 0.01 0.00 0.00 175.26 176.94 7i1b n ASN 129 N -0.40 -5.65 -4.00 -0.19 5.03 -1.23 -4.99 115.26 103.83 7i1b n ASN 129 Ca 0.00 -0.14 -0.15 0.00 0.87 0.00 0.00 54.58 55.16 7i1b n ASN 129 Cb 0.53 -1.90 -0.13 0.00 -1.02 0.00 0.00 39.78 37.25 7i1b n ASN 129 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 7i1b s MET 130 N -2.54 0.51 0.32 3.52 -1.94 -1.25 -4.97 119.30 112.95 7i1b s MET 130 Ca 0.37 -0.40 -0.29 0.00 -1.71 0.00 0.00 55.69 53.65 7i1b s MET 130 Cb -0.04 -0.42 -0.11 0.00 2.01 0.00 0.00 34.83 36.27 7i1b s MET 130 CO 0.87 0.11 1.44 -1.25 -0.01 0.00 0.00 175.02 176.17 7i1b s PRO 131 N -0.63 4.23 0.59 2.03 0.04 -1.26 -2.65 135.00 137.34 7i1b s PRO 131 Ca -0.02 2.40 -0.18 0.00 0.04 0.00 0.00 61.00 63.24 7i1b s PRO 131 Cb -0.05 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.41 7i1b s PRO 131 CO 0.00 -0.42 1.13 0.08 0.04 0.00 0.00 177.00 177.83 7i1b s VAL 132 N -0.67 3.17 0.39 -0.36 1.01 -1.04 -4.72 120.40 118.18 7i1b s VAL 132 Ca 0.55 0.66 -0.11 0.00 0.00 0.00 0.00 61.98 63.08 7i1b s VAL 132 Cb -0.43 -3.22 0.04 0.00 0.00 0.00 0.00 36.38 32.77 7i1b s VAL 132 CO 0.53 -0.23 0.71 0.72 0.00 0.00 0.00 175.10 176.83 7i1b s PHE 133 N -1.97 0.46 -0.20 5.22 -0.71 -1.08 -4.82 117.98 114.88 7i1b s PHE 133 Ca 0.71 -1.02 -0.08 0.00 -1.04 0.00 0.00 56.93 55.50 7i1b s PHE 133 Cb -0.23 0.57 -0.04 0.00 -1.21 0.00 0.00 43.02 42.11 7i1b s PHE 133 CO 0.32 -1.48 0.08 -1.17 -1.34 0.00 0.00 175.22 171.63 7i1b s LEU 134 N -3.14 3.82 0.39 -1.99 2.96 -1.26 -1.85 118.68 117.61 7i1b s LEU 134 Ca 0.21 0.05 0.04 0.00 -0.22 0.00 0.00 54.13 54.20 7i1b s LEU 134 Cb -0.04 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 7i1b s LEU 134 CO 0.15 0.13 0.11 -0.83 -1.32 0.00 0.00 176.35 174.59 7i1b s GLY 135 N 0.64 2.50 -0.33 7.98 0.00 -0.65 -4.62 107.32 112.84 7i1b s GLY 135 Ca 0.04 -1.37 0.15 0.00 0.00 0.00 0.00 44.72 43.54 7i1b s GLY 135 CO 0.01 -1.83 1.06 0.61 0.00 0.00 0.00 173.10 172.95 7i1b n GLY 136 N -0.87 3.30 2.57 0.20 0.00 -1.26 -1.67 105.19 107.46 7i1b n GLY 136 Ca -0.06 -1.77 -0.29 0.00 0.00 0.00 0.00 46.02 43.90 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 -4.05 0.81 0.04 2.61 2.01 -1.26 -5.01 115.64 110.79 7i1b s THR 137 Ca 0.35 -2.31 -0.30 0.00 0.31 0.00 0.00 61.69 59.73 7i1b s THR 137 Cb 0.41 -1.57 -0.08 0.00 0.01 0.00 0.00 72.50 71.27 7i1b s THR 137 CO -0.03 -0.99 1.68 -1.59 -0.69 0.00 0.00 174.62 173.00 7i1b s LYS 138 N 0.51 4.19 7.95 4.92 -2.85 -1.26 -4.57 119.74 128.63 7i1b s LYS 138 Ca 0.20 2.33 0.00 0.00 -1.00 0.00 0.00 55.97 57.50 7i1b s LYS 138 Cb -0.18 -3.72 0.00 0.00 -2.06 0.00 0.00 37.83 31.87 7i1b s LYS 138 CO -0.03 -0.77 0.00 0.41 0.10 0.00 0.00 175.35 175.05 7i1b n GLY 139 N 4.07 3.74 7.00 0.59 0.00 -1.26 -4.87 105.19 114.46 7i1b n GLY 139 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 3.16 0.07 -0.02 0.00 -1.26 -2.30 105.19 104.85 7i1b n GLY 140 Ca 0.00 0.26 -0.07 0.00 0.00 0.00 0.00 46.02 46.21 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 13.07 1.38 -2.99 1.61 0.00 -1.26 -4.97 117.38 124.22 7i1b n GLN 141 Ca 0.00 -0.01 -0.36 0.00 -0.00 0.00 0.00 57.00 56.63 7i1b n GLN 141 Cb 0.00 -1.40 -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 -4.89 7.10 -0.66 1.69 1.01 -0.97 -4.65 116.67 115.31 7i1b s ASP 142 Ca -0.08 1.55 -0.20 0.00 0.71 0.00 0.00 52.55 54.53 7i1b s ASP 142 Cb 0.05 -2.47 0.09 0.00 1.01 0.00 0.00 42.92 41.60 7i1b s ASP 142 CO 0.65 -0.05 0.86 -0.63 0.21 0.00 0.00 175.17 176.21 7i1b s ILE 143 N -1.64 4.61 -0.13 0.77 1.01 -1.11 -3.99 121.20 120.73 7i1b s ILE 143 Ca 0.47 -0.81 0.18 0.00 0.00 0.00 0.00 60.65 60.50 7i1b s ILE 143 Cb -0.16 -4.60 -0.19 0.00 0.01 0.00 0.00 42.46 37.51 7i1b s ILE 143 CO 0.21 -1.31 0.60 0.35 0.00 0.00 0.00 174.94 174.79 7i1b n THR 144 N 5.67 1.02 -1.05 2.92 -2.24 -1.26 -1.56 114.28 117.78 7i1b n THR 144 Ca -0.03 -0.69 -0.28 0.00 -2.27 0.00 0.00 64.05 60.77 7i1b n THR 144 Cb 0.44 -0.54 0.19 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 -5.49 2.24 0.25 3.42 -4.77 -1.26 -4.60 116.67 106.46 7i1b s ASP 145 Ca -0.05 1.22 -0.06 0.00 -3.30 0.00 0.00 52.55 50.36 7i1b s ASP 145 Cb 0.09 -1.91 0.02 0.00 -1.09 0.00 0.00 42.92 40.03 7i1b s ASP 145 CO 0.83 -3.38 0.43 0.49 0.70 0.00 0.00 175.17 174.25 7i1b n PHE 146 N -4.34 -1.57 -3.56 2.11 3.72 0.63 -4.34 117.46 110.12 7i1b n PHE 146 Ca 0.05 -1.35 -0.05 0.00 -0.05 0.00 0.00 57.45 56.05 7i1b n PHE 146 Cb 0.57 0.50 -0.07 0.00 -0.94 0.00 0.00 39.48 39.55 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 -2.53 -0.79 0.26 4.37 -4.23 0.84 -1.24 115.64 112.32 7i1b s THR 147 Ca 0.14 0.07 0.04 0.00 -1.18 0.00 0.00 61.69 60.76 7i1b s THR 147 Cb -0.02 -0.83 -0.03 0.00 1.34 0.00 0.00 72.50 72.96 7i1b s THR 147 CO 0.10 0.02 0.40 0.00 -0.54 0.00 0.00 174.62 174.59 7i1b s MET 148 N 2.72 3.45 -0.06 3.99 0.23 -1.26 -0.13 119.30 128.25 7i1b s MET 148 Ca 0.01 -0.67 -0.00 0.00 -1.03 0.00 0.00 55.69 54.00 7i1b s MET 148 Cb -0.13 -2.85 0.03 0.00 -1.53 0.00 0.00 34.83 30.35 7i1b s MET 148 CO -0.16 0.38 -0.02 -1.14 -2.03 0.00 0.00 175.02 172.05 7i1b s GLN 149 N -4.03 0.65 0.19 3.16 -0.44 -1.01 -4.94 119.66 113.24 7i1b s GLN 149 Ca 0.35 0.02 -0.30 0.00 -2.50 0.00 0.00 55.36 52.93 7i1b s GLN 149 Cb -0.09 -0.85 -0.09 0.00 -1.64 0.00 0.00 33.01 30.34 7i1b s GLN 149 CO 0.30 -0.19 1.31 -0.06 0.50 0.00 0.00 175.29 177.15 7i1b s PHE 150 N 1.43 3.25 0.38 1.67 0.40 -1.26 -2.23 117.98 121.61 7i1b s PHE 150 Ca -0.03 1.21 0.04 0.00 -0.60 0.00 0.00 56.93 57.55 7i1b s PHE 150 Cb -0.13 -3.61 -0.02 0.00 0.51 0.00 0.00 43.02 39.77 7i1b s PHE 150 CO -0.03 -1.91 0.15 1.33 0.70 0.00 0.00 175.22 175.46 7i1b n VAL 151 N 2.69 0.00 -0.97 -0.44 0.24 -1.09 -4.97 118.33 113.80 7i1b n VAL 151 Ca 0.06 -2.24 -0.31 0.00 -2.04 0.00 0.00 64.34 59.82 7i1b n VAL 151 Cb 0.43 0.84 0.14 0.00 -1.47 0.00 0.00 33.84 33.77 7i1b n VAL 151 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 7i1b s SER 152 N -3.34 3.55 0.00 -1.34 0.01 -1.26 -4.66 113.70 106.66 7i1b s SER 152 Ca 0.21 1.95 0.31 0.00 1.31 0.00 0.00 55.95 59.74 7i1b s SER 152 Cb 0.01 -2.51 1.78 0.00 0.21 0.00 0.00 66.02 65.51 7i1b s SER 152 CO 0.15 -2.67 2.16 -1.20 0.41 0.00 0.00 173.24 172.09