#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 0.65 -1.45 0.00 -0.05 -1.26 -4.71 135.00 128.18 7i1b n PRO 2 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 7i1b n PRO 2 Cb 0.00 -1.18 0.00 0.00 -0.05 0.00 0.00 33.50 32.27 7i1b n PRO 2 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 175.50 175.73 7i1b n VAL 3 N 0.95 0.00 -3.89 0.52 0.31 -1.26 -4.81 118.33 110.15 7i1b n VAL 3 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.05 7i1b n VAL 3 Cb 0.32 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.09 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 -1.29 1.44 0.81 5.55 0.52 -1.26 -5.11 118.95 119.60 7i1b s ARG 4 Ca 0.00 -0.57 -0.09 0.00 -0.52 0.00 0.00 55.73 54.55 7i1b s ARG 4 Cb 0.00 -2.08 0.13 0.00 0.52 0.00 0.00 34.95 33.52 7i1b s ARG 4 CO 0.00 -0.46 1.14 -1.12 0.02 0.00 0.00 175.30 174.88 7i1b s SER 5 N 1.61 4.07 -0.25 0.23 0.01 -1.26 -3.48 113.70 114.63 7i1b s SER 5 Ca -0.00 0.23 -0.02 0.00 1.31 0.00 0.00 55.95 57.47 7i1b s SER 5 Cb -0.16 -0.59 0.14 0.00 0.21 0.00 0.00 66.02 65.62 7i1b s SER 5 CO -0.08 -2.09 0.40 -0.22 0.41 0.00 0.00 173.24 171.66 7i1b s LEU 6 N -5.48 -0.71 0.16 2.44 2.96 0.72 -4.91 118.68 113.87 7i1b s LEU 6 Ca 0.67 0.23 -0.30 0.00 -0.22 0.00 0.00 54.13 54.50 7i1b s LEU 6 Cb -0.07 1.20 -0.07 0.00 0.50 0.00 0.00 46.19 47.75 7i1b s LEU 6 CO 0.48 -0.30 1.14 0.20 -1.32 0.00 0.00 176.35 176.55 7i1b s ASN 7 N 2.57 7.19 -0.17 3.68 0.02 -1.26 0.47 114.94 127.45 7i1b s ASN 7 Ca 0.13 2.11 -0.30 0.00 -1.02 0.00 0.00 52.86 53.78 7i1b s ASN 7 Cb -0.15 -2.60 0.14 0.00 0.02 0.00 0.00 41.25 38.66 7i1b s ASN 7 CO -0.17 -0.30 1.07 0.00 0.02 0.00 0.00 177.10 177.72 7i1b s THR 9 N -1.41 4.98 -0.14 0.00 -4.23 -0.98 -2.02 115.64 111.84 7i1b s THR 9 Ca 0.02 -0.42 -0.06 0.00 -1.18 0.00 0.00 61.69 60.04 7i1b s THR 9 Cb -0.01 -3.34 -0.04 0.00 1.34 0.00 0.00 72.50 70.45 7i1b s THR 9 CO -0.02 0.26 0.09 -0.76 -0.54 0.00 0.00 174.62 173.65 7i1b s LEU 10 N -2.07 4.05 -0.02 4.79 1.43 -1.26 -1.49 118.68 124.11 7i1b s LEU 10 Ca 0.27 0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.65 7i1b s LEU 10 Cb -0.12 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.12 7i1b s LEU 10 CO 0.19 0.31 -0.01 -0.60 0.23 0.00 0.00 176.35 176.47 7i1b s ARG 11 N -0.43 0.24 0.77 1.70 3.52 -0.42 -3.51 118.95 120.81 7i1b s ARG 11 Ca 0.10 0.02 -0.11 0.00 -0.13 0.00 0.00 55.73 55.61 7i1b s ARG 11 Cb -0.12 -0.35 0.05 0.00 -1.56 0.00 0.00 34.95 32.98 7i1b s ARG 11 CO 0.02 -0.06 1.09 0.16 -0.81 0.00 0.00 175.30 175.69 7i1b s ASP 12 N 0.58 4.74 0.00 -2.12 -4.77 -0.55 -1.22 116.67 113.33 7i1b s ASP 12 Ca -0.06 1.38 0.01 0.00 -3.30 0.00 0.00 52.55 50.58 7i1b s ASP 12 Cb -0.08 -2.15 0.04 0.00 -1.09 0.00 0.00 42.92 39.64 7i1b s ASP 12 CO -0.01 -1.82 0.89 -1.54 0.70 0.00 0.00 175.17 173.39 7i1b n SER 13 N -3.34 0.00 -0.61 2.11 3.41 -1.26 -0.44 113.62 113.48 7i1b n SER 13 Ca 0.07 0.35 0.13 0.00 -0.26 0.00 0.00 58.87 59.16 7i1b n SER 13 Cb 0.56 -0.36 0.40 0.00 -0.26 0.00 0.00 64.21 64.55 7i1b n SER 13 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 7i1b n GLN 14 N -1.36 1.83 -0.91 4.33 7.27 -1.26 -4.90 117.38 122.38 7i1b n GLN 14 Ca 0.00 -1.22 0.00 0.00 0.07 0.00 0.00 57.00 55.86 7i1b n GLN 14 Cb 0.01 -1.45 0.00 0.00 2.41 0.00 0.00 30.24 31.20 7i1b n GLN 14 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 7i1b n GLN 15 N 0.46 0.00 -2.80 3.69 7.27 0.41 -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 56.92 7i1b n GLN 15 Cb 0.39 -2.46 -0.05 0.00 2.41 0.00 0.00 30.24 30.53 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 -0.09 4.01 0.37 3.69 1.02 -1.25 -4.82 119.74 122.66 7i1b s LYS 16 Ca 0.00 0.83 0.08 0.00 0.02 0.00 0.00 55.97 56.91 7i1b s LYS 16 Cb 0.00 -2.27 -0.05 0.00 -0.52 0.00 0.00 37.83 34.98 7i1b s LYS 16 CO 0.00 -0.04 0.11 -1.12 -0.92 0.00 0.00 175.35 173.37 7i1b s SER 17 N -2.62 4.39 -0.08 2.83 0.01 -0.94 -1.49 113.70 115.81 7i1b s SER 17 Ca 0.57 -0.98 -0.12 0.00 1.31 0.00 0.00 55.95 56.74 7i1b s SER 17 Cb -0.10 -0.56 -0.05 0.00 0.21 0.00 0.00 66.02 65.52 7i1b s SER 17 CO 0.22 -0.37 0.28 -0.76 0.41 0.00 0.00 173.24 173.03 7i1b s LEU 18 N -3.82 4.39 0.03 2.44 1.43 -1.23 -2.32 118.68 119.61 7i1b s LEU 18 Ca 0.38 0.68 0.05 0.00 -1.03 0.00 0.00 54.13 54.21 7i1b s LEU 18 Cb 0.01 -2.35 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 7i1b s LEU 18 CO 0.21 0.31 -0.14 0.68 0.23 0.00 0.00 176.35 177.64 7i1b s VAL 19 N -0.73 1.11 -0.82 -1.59 -7.23 0.54 -2.74 120.40 108.94 7i1b s VAL 19 Ca 0.19 -0.97 -0.25 0.00 -1.81 0.00 0.00 61.98 59.14 7i1b s VAL 19 Cb -0.14 -1.00 -0.00 0.00 0.56 0.00 0.00 36.38 35.79 7i1b s VAL 19 CO 0.08 0.03 1.69 0.00 -0.31 0.00 0.00 175.10 176.59 7i1b s MET 20 N -1.08 2.92 0.40 4.82 0.23 -1.26 -0.18 119.30 125.16 7i1b s MET 20 Ca 0.02 -0.24 0.21 0.00 -1.03 0.00 0.00 55.69 54.66 7i1b s MET 20 Cb -0.08 -4.80 0.64 0.00 -1.53 0.00 0.00 34.83 29.07 7i1b s MET 20 CO 0.01 -2.72 1.70 0.66 -2.03 0.00 0.00 175.02 172.64 7i1b h SER 21 N 11.68 0.00 -2.56 -1.18 4.64 -1.56 -3.47 113.55 121.11 7i1b h SER 21 Ca -0.04 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.23 7i1b h SER 21 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 7i1b h SER 21 CO 1.28 0.28 0.16 0.61 -0.87 0.00 0.00 176.83 178.29 7i1b n GLY 22 N 0.52 1.39 0.49 -0.77 0.00 0.14 -4.97 105.19 102.00 7i1b n GLY 22 Ca 0.01 -1.24 -0.19 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.09 -0.74 1.61 0.11 -2.02 -3.13 132.00 126.74 7i1b h PRO 23 Ca -0.24 0.07 -0.47 0.00 0.11 0.00 0.00 66.00 65.48 7i1b h PRO 23 Cb 0.90 0.25 -0.26 0.00 0.11 0.00 0.00 31.00 31.99 7i1b h PRO 23 CO 0.31 -0.73 0.18 0.66 -0.21 0.00 0.00 178.00 178.20 7i1b n TYR 24 N -5.42 2.42 -3.75 0.65 4.01 -1.26 -4.95 117.16 108.86 7i1b n TYR 24 Ca -0.14 -2.20 -0.13 0.00 -0.16 0.00 0.00 57.90 55.27 7i1b n TYR 24 Cb 0.48 -0.83 -0.14 0.00 -0.31 0.00 0.00 39.34 38.54 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 -3.51 0.15 0.25 -0.72 2.02 -1.18 -4.46 118.70 111.25 7i1b s GLU 25 Ca 0.54 0.42 0.12 0.00 0.02 0.00 0.00 54.97 56.07 7i1b s GLU 25 Cb 0.45 -0.12 -0.05 0.00 0.10 0.00 0.00 34.13 34.51 7i1b s GLU 25 CO 0.02 -0.15 -0.21 -0.51 0.02 0.00 0.00 175.26 174.43 7i1b s LEU 26 N 1.08 2.53 -0.01 1.80 1.02 -1.26 -0.68 118.68 123.16 7i1b s LEU 26 Ca -0.08 -0.97 0.02 0.00 0.02 0.00 0.00 54.13 53.11 7i1b s LEU 26 Cb -0.10 -1.11 0.00 0.00 0.02 0.00 0.00 46.19 45.00 7i1b s LEU 26 CO -0.06 0.06 -0.05 -0.54 0.02 0.00 0.00 176.35 175.78 7i1b s LYS 27 N -3.21 0.51 -0.38 1.70 1.02 0.75 -2.41 119.74 117.72 7i1b s LYS 27 Ca 0.27 -0.19 -0.12 0.00 0.02 0.00 0.00 55.97 55.95 7i1b s LYS 27 Cb -0.06 -0.50 0.03 0.00 -0.52 0.00 0.00 37.83 36.77 7i1b s LYS 27 CO 0.13 0.09 0.22 0.00 -0.92 0.00 0.00 175.35 174.87 7i1b s ALA 28 N 0.03 3.31 0.30 5.17 0.00 -1.04 -0.34 121.76 129.20 7i1b s ALA 28 Ca 0.00 -1.71 0.02 0.00 0.00 0.00 0.00 51.96 50.27 7i1b s ALA 28 Cb -0.04 -2.64 -0.02 0.00 0.00 0.00 0.00 23.12 20.41 7i1b s ALA 28 CO -0.00 -1.39 0.30 -0.48 0.00 0.00 0.00 175.76 174.19 7i1b s LEU 29 N 1.58 1.38 -0.80 0.00 0.05 -0.98 -3.97 118.68 115.93 7i1b s LEU 29 Ca 0.03 -1.58 -0.26 0.00 0.05 0.00 0.00 54.13 52.37 7i1b s LEU 29 Cb -0.19 0.78 0.03 0.00 -2.05 0.00 0.00 46.19 44.76 7i1b s LEU 29 CO 0.07 -1.07 1.36 -1.00 -0.55 0.00 0.00 176.35 175.16 7i1b s HIS 30 N -3.55 2.30 0.07 3.48 3.76 -1.26 -2.21 115.29 117.88 7i1b s HIS 30 Ca 0.37 -0.18 -0.30 0.00 -0.15 0.00 0.00 55.06 54.80 7i1b s HIS 30 Cb 0.03 -4.61 -0.05 0.00 1.11 0.00 0.00 32.58 29.06 7i1b s HIS 30 CO 0.22 -2.05 1.00 -1.17 -0.85 0.00 0.00 174.74 171.88 7i1b s LEU 31 N 5.80 4.44 0.10 0.89 2.96 -1.26 -5.01 118.68 126.60 7i1b s LEU 31 Ca 0.40 1.79 -0.25 0.00 -0.22 0.00 0.00 54.13 55.85 7i1b s LEU 31 Cb -0.06 -3.58 0.07 0.00 0.50 0.00 0.00 46.19 43.11 7i1b s LEU 31 CO 0.09 -0.18 0.62 -1.58 -1.32 0.00 0.00 176.35 173.98 7i1b s GLN 32 N 0.42 1.22 0.22 1.98 -0.44 -1.26 -4.95 119.66 116.85 7i1b s GLN 32 Ca 0.50 -0.27 0.00 0.00 -2.50 0.00 0.00 55.36 53.09 7i1b s GLN 32 Cb -0.24 0.56 0.00 0.00 -1.64 0.00 0.00 33.01 31.70 7i1b s GLN 32 CO 0.30 -0.49 0.00 0.41 0.50 0.00 0.00 175.29 176.00 7i1b n GLY 33 N -0.02 -2.21 0.41 2.59 0.00 -1.26 -3.75 105.19 100.96 7i1b n GLY 33 Ca -0.18 -1.50 0.19 0.00 0.00 0.00 0.00 46.02 44.54 7i1b n GLY 33 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 7i1b h GLN 34 N 0.00 0.00 0.00 1.61 5.75 -2.06 0.55 115.11 120.96 7i1b h GLN 34 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 7i1b h GLN 34 Cb 0.06 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.61 7i1b h GLN 34 CO 0.00 0.00 0.00 -3.47 -2.65 0.00 0.00 178.83 172.71 7i1b n ASP 35 N -3.25 0.00 0.34 -0.69 2.03 -1.25 -2.53 116.55 111.20 7i1b n ASP 35 Ca 0.09 -0.08 0.20 0.00 0.52 0.00 0.00 54.79 55.52 7i1b n ASP 35 Cb 0.89 -0.02 1.06 0.00 -0.72 0.00 0.00 41.12 42.33 7i1b n ASP 35 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 7i1b h MET 36 N 0.00 0.00 0.00 -0.67 2.86 -0.07 0.12 114.93 117.17 7i1b h MET 36 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 7i1b h MET 36 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 7i1b h MET 36 CO 0.00 0.00 0.00 1.05 1.06 0.00 0.00 176.91 179.02 7i1b h GLU 37 N 0.00 0.00 -0.99 1.72 4.11 -1.76 -2.28 114.58 115.39 7i1b h GLU 37 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 7i1b h GLU 37 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 7i1b h GLU 37 CO -0.00 0.00 0.00 1.04 0.07 0.00 0.00 179.01 180.12 7i1b n GLN 38 N -2.67 0.98 -3.02 1.06 6.02 0.41 -4.74 117.38 115.42 7i1b n GLN 38 Ca -0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.56 7i1b n GLN 38 Cb 0.18 -1.38 -0.06 0.00 1.02 0.00 0.00 30.24 30.00 7i1b n GLN 38 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 7i1b s GLN 39 N -0.77 3.55 0.90 -1.09 0.74 -0.86 -4.46 119.66 117.67 7i1b s GLN 39 Ca 0.00 0.02 -0.12 0.00 0.05 0.00 0.00 55.36 55.31 7i1b s GLN 39 Cb 0.00 -3.87 0.13 0.00 1.10 0.00 0.00 33.01 30.37 7i1b s GLN 39 CO 0.00 -0.94 1.12 0.08 -0.55 0.00 0.00 175.29 175.01 7i1b s VAL 40 N 3.04 2.24 -0.09 1.34 1.01 -1.11 -5.05 120.40 121.78 7i1b s VAL 40 Ca 0.28 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.30 7i1b s VAL 40 Cb -0.13 -2.79 0.05 0.00 0.00 0.00 0.00 36.38 33.51 7i1b s VAL 40 CO 0.19 -0.10 0.18 -0.69 0.00 0.00 0.00 175.10 174.68 7i1b s VAL 41 N -3.21 -0.22 0.42 2.92 1.01 -1.26 -4.76 120.40 115.29 7i1b s VAL 41 Ca 0.63 0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.97 7i1b s VAL 41 Cb -0.15 -0.31 0.01 0.00 0.00 0.00 0.00 36.38 35.92 7i1b s VAL 41 CO 0.54 0.12 0.58 -0.36 0.00 0.00 0.00 175.10 175.98 7i1b s PHE 42 N 1.99 2.89 -0.47 5.22 0.40 -0.86 -3.01 117.98 124.15 7i1b s PHE 42 Ca -0.01 -0.28 0.03 0.00 -0.60 0.00 0.00 56.93 56.07 7i1b s PHE 42 Cb -0.12 -2.35 0.13 0.00 0.51 0.00 0.00 43.02 41.19 7i1b s PHE 42 CO -0.06 -0.40 0.22 0.45 0.70 0.00 0.00 175.22 176.13 7i1b s SER 43 N -4.32 4.19 0.48 1.36 0.15 0.25 -1.70 113.70 114.11 7i1b s SER 43 Ca 0.53 -2.76 -0.22 0.00 0.70 0.00 0.00 55.95 54.20 7i1b s SER 43 Cb -0.10 -1.46 -0.07 0.00 -1.71 0.00 0.00 66.02 62.68 7i1b s SER 43 CO 0.34 -0.27 1.17 -0.32 1.20 0.00 0.00 173.24 175.36 7i1b s MET 44 N 0.09 3.66 -0.04 5.44 1.75 0.18 -2.61 119.30 127.77 7i1b s MET 44 Ca 0.16 1.78 -0.02 0.00 -1.25 0.00 0.00 55.69 56.37 7i1b s MET 44 Cb -0.24 -2.34 0.03 0.00 2.84 0.00 0.00 34.83 35.11 7i1b s MET 44 CO -0.02 -0.63 0.06 -1.12 -0.65 0.00 0.00 175.02 172.66 7i1b s SER 45 N -1.39 0.97 -0.48 1.11 0.01 -0.56 0.26 113.70 113.61 7i1b s SER 45 Ca 0.65 0.08 -0.28 0.00 1.31 0.00 0.00 55.95 57.71 7i1b s SER 45 Cb -0.29 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 65.82 7i1b s SER 45 CO 0.34 -0.23 1.56 -0.36 0.41 0.00 0.00 173.24 174.96 7i1b s PHE 46 N 2.01 2.12 0.25 2.43 0.08 -1.23 -1.22 117.98 122.42 7i1b s PHE 46 Ca 0.03 0.60 0.02 0.00 0.12 0.00 0.00 56.93 57.70 7i1b s PHE 46 Cb -0.12 -4.27 0.04 0.00 -0.57 0.00 0.00 43.02 38.10 7i1b s PHE 46 CO -0.03 -2.23 0.34 1.33 -0.10 0.00 0.00 175.22 174.53 7i1b n VAL 47 N 7.09 0.00 -3.54 -0.44 0.24 -0.99 -4.68 118.33 116.00 7i1b n VAL 47 Ca 0.17 -0.68 -0.31 0.00 -2.04 0.00 0.00 64.34 61.48 7i1b n VAL 47 Cb 0.49 -0.98 -0.05 0.00 -1.47 0.00 0.00 33.84 31.83 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 -3.19 3.70 0.00 7.34 2.00 -0.50 -4.82 119.66 124.19 7i1b s GLN 48 Ca 0.24 0.08 0.00 0.00 -2.00 0.00 0.00 55.36 53.68 7i1b s GLN 48 Cb -0.02 -2.75 0.00 0.00 0.80 0.00 0.00 33.01 31.04 7i1b s GLN 48 CO 0.16 0.39 0.00 0.41 -0.50 0.00 0.00 175.29 175.74 7i1b n GLY 49 N -0.06 -0.78 3.54 2.59 0.00 -1.26 -4.72 105.19 104.50 7i1b n GLY 49 Ca -0.01 -1.33 -0.13 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 0.00 0.10 -3.16 1.61 1.02 -1.26 -4.87 120.64 114.07 7i1b n GLU 50 Ca 0.00 -1.57 -0.36 0.00 -0.02 0.00 0.00 57.16 55.21 7i1b n GLU 50 Cb 0.00 -3.75 -0.06 0.00 -0.02 0.00 0.00 31.44 27.61 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 8.35 4.19 0.00 3.49 1.03 -1.26 -4.64 118.70 129.87 7i1b s GLU 51 Ca 0.77 0.78 0.00 0.00 0.03 0.00 0.00 54.97 56.55 7i1b s GLU 51 Cb -0.05 -2.90 0.00 0.00 -0.80 0.00 0.00 34.13 30.38 7i1b s GLU 51 CO 0.17 0.42 0.00 0.45 -1.33 0.00 0.00 175.26 174.97 7i1b n SER 52 N 0.76 0.00 -0.06 0.83 2.88 -0.82 -4.99 113.62 112.22 7i1b n SER 52 Ca -0.03 -0.93 0.14 0.00 -1.33 0.00 0.00 58.87 56.71 7i1b n SER 52 Cb 0.51 0.00 0.60 0.00 -0.75 0.00 0.00 64.21 64.57 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 -1.37 0.31 0.01 -3.46 2.85 -1.26 -4.29 115.26 108.05 7i1b n ASN 53 Ca 0.00 -0.28 0.00 0.00 -0.11 0.00 0.00 54.58 54.19 7i1b n ASN 53 Cb 0.00 -0.14 0.00 0.00 1.24 0.00 0.00 39.78 40.88 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 -1.16 0.28 -4.62 1.20 9.92 -1.26 -4.99 116.55 115.91 7i1b n ASP 54 Ca 0.12 0.04 -0.42 0.00 -0.53 0.00 0.00 54.79 54.00 7i1b n ASP 54 Cb 0.29 -0.08 -0.04 0.00 -0.64 0.00 0.00 41.12 40.64 7i1b n ASP 54 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 7i1b s LYS 55 N -2.00 4.04 -0.62 -1.24 1.02 -1.26 -4.14 119.74 115.53 7i1b s LYS 55 Ca 0.00 0.75 0.01 0.00 0.02 0.00 0.00 55.97 56.75 7i1b s LYS 55 Cb 0.00 -3.71 0.15 0.00 -0.52 0.00 0.00 37.83 33.76 7i1b s LYS 55 CO 0.00 -0.66 0.40 0.42 -0.92 0.00 0.00 175.35 174.59 7i1b s ILE 56 N 3.01 3.16 -0.04 2.17 1.01 -0.95 -1.95 121.20 127.61 7i1b s ILE 56 Ca 0.35 -3.42 -0.29 0.00 0.00 0.00 0.00 60.65 57.28 7i1b s ILE 56 Cb -0.14 -3.10 -0.08 0.00 0.01 0.00 0.00 42.46 39.15 7i1b s ILE 56 CO 0.11 -0.89 2.02 -2.84 0.00 0.00 0.00 174.94 173.35 7i1b s PRO 57 N -0.52 3.86 0.00 2.79 0.02 -1.26 -2.26 135.00 137.63 7i1b s PRO 57 Ca 0.19 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.64 7i1b s PRO 57 Cb -0.19 -4.21 0.00 0.00 0.02 0.00 0.00 34.50 30.12 7i1b s PRO 57 CO -0.05 -1.27 0.00 1.33 -0.33 0.00 0.00 177.00 176.68 7i1b n VAL 58 N 6.16 0.00 -3.69 3.83 0.24 -1.03 -2.34 118.33 121.51 7i1b n VAL 58 Ca 0.22 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.38 7i1b n VAL 58 Cb 0.42 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.65 7i1b n VAL 58 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 7i1b s ALA 59 N -2.00 -0.42 -0.42 2.33 0.00 -0.35 -2.20 121.76 118.69 7i1b s ALA 59 Ca 0.00 0.82 -0.18 0.00 0.00 0.00 0.00 51.96 52.60 7i1b s ALA 59 Cb 0.00 -0.82 0.02 0.00 0.00 0.00 0.00 23.12 22.32 7i1b s ALA 59 CO 0.00 -0.47 0.51 -0.51 0.00 0.00 0.00 175.76 175.29 7i1b s LEU 60 N 2.00 4.69 -0.06 0.00 1.43 -1.26 -1.50 118.68 123.97 7i1b s LEU 60 Ca -0.02 -0.50 0.04 0.00 -1.03 0.00 0.00 54.13 52.62 7i1b s LEU 60 Cb -0.12 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.59 7i1b s LEU 60 CO -0.08 -0.63 -0.17 -0.83 0.23 0.00 0.00 176.35 174.87 7i1b s GLY 61 N 1.87 0.97 0.25 -3.19 0.00 -1.07 -2.55 107.32 103.59 7i1b s GLY 61 Ca 0.16 -0.66 -0.31 0.00 0.00 0.00 0.00 44.72 43.92 7i1b s GLY 61 CO 0.15 -0.19 1.36 1.04 0.00 0.00 0.00 173.10 175.47 7i1b n LEU 62 N 3.45 2.98 0.24 0.66 4.77 -1.07 0.86 117.00 128.89 7i1b n LEU 62 Ca -0.20 1.15 -0.10 0.00 -0.03 0.00 0.00 56.01 56.83 7i1b n LEU 62 Cb 0.52 -1.41 -0.05 0.00 -2.33 0.00 0.00 43.42 40.15 7i1b n LEU 62 CO 0.26 -0.59 0.52 0.50 -1.33 0.00 0.00 177.39 176.75 7i1b h LYS 63 N 3.89 -0.62 0.03 3.23 3.64 -1.80 -3.31 116.57 121.63 7i1b h LYS 63 Ca -0.45 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 58.97 7i1b h LYS 63 Cb 1.28 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 7i1b h LYS 63 CO 0.73 -0.42 -0.02 0.93 -2.27 0.00 0.00 179.45 178.41 7i1b h GLU 64 N -0.65 -0.04 -6.88 1.90 3.07 -1.91 -3.44 114.58 106.63 7i1b h GLU 64 Ca -0.06 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.32 7i1b h GLU 64 Cb 0.51 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 7i1b h GLU 64 CO 0.07 0.38 0.18 0.15 -1.40 0.00 0.00 179.01 178.38 7i1b s LYS 65 N -4.47 3.94 -0.56 2.33 -0.14 -1.25 -4.97 119.74 114.62 7i1b s LYS 65 Ca -0.15 0.69 -0.00 0.00 -1.36 0.00 0.00 55.97 55.15 7i1b s LYS 65 Cb 0.02 -2.34 0.49 0.00 -1.68 0.00 0.00 37.83 34.32 7i1b s LYS 65 CO 0.66 -0.00 1.98 0.27 -0.76 0.00 0.00 175.35 177.49 7i1b n ASN 66 N -0.94 6.30 -4.62 2.83 0.23 -1.26 -3.75 115.26 114.06 7i1b n ASN 66 Ca 0.04 -3.63 -0.38 0.00 -0.53 0.00 0.00 54.58 50.07 7i1b n ASN 66 Cb 0.54 -0.93 -0.09 0.00 -2.08 0.00 0.00 39.78 37.21 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 -3.41 4.06 -0.17 -4.53 1.43 -1.26 -2.70 118.68 112.10 7i1b s LEU 67 Ca 0.58 0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 53.85 7i1b s LEU 67 Cb 0.47 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 7i1b s LEU 67 CO 0.03 -0.11 0.04 -0.31 0.23 0.00 0.00 176.35 176.22 7i1b s TYR 68 N 1.77 3.19 0.54 0.29 1.51 -0.27 -2.58 117.35 121.81 7i1b s TYR 68 Ca 0.13 -0.02 -0.20 0.00 -1.01 0.00 0.00 57.07 55.97 7i1b s TYR 68 Cb -0.15 -2.05 -0.08 0.00 -0.11 0.00 0.00 41.96 39.57 7i1b s TYR 68 CO 0.09 0.11 0.83 1.28 -1.11 0.00 0.00 175.55 176.75 7i1b n LEU 69 N 3.52 2.41 -3.69 -1.29 4.32 -1.06 -2.27 117.00 118.95 7i1b n LEU 69 Ca -0.17 0.85 -0.10 0.00 -0.02 0.00 0.00 56.01 56.57 7i1b n LEU 69 Cb 0.52 -1.31 -0.10 0.00 -1.62 0.00 0.00 43.42 40.91 7i1b n LEU 69 CO 0.35 -2.15 0.08 -0.94 -1.22 0.00 0.00 177.39 173.51 7i1b s SER 70 N -1.08 -0.56 -0.36 -1.43 1.04 0.16 -4.55 113.70 106.92 7i1b s SER 70 Ca 0.70 0.95 -0.25 0.00 0.48 0.00 0.00 55.95 57.83 7i1b s SER 70 Cb -0.47 0.84 0.01 0.00 0.10 0.00 0.00 66.02 66.50 7i1b s SER 70 CO 0.52 -0.20 0.88 0.00 0.98 0.00 0.00 173.24 175.43 7i1b s VAL 72 N 3.33 1.40 0.08 0.00 -7.23 -0.93 -4.88 120.40 112.18 7i1b s VAL 72 Ca 0.36 -1.84 -0.29 0.00 -1.81 0.00 0.00 61.98 58.41 7i1b s VAL 72 Cb -0.12 -1.66 -0.05 0.00 0.56 0.00 0.00 36.38 35.10 7i1b s VAL 72 CO 0.17 -0.47 0.91 -0.76 -0.31 0.00 0.00 175.10 174.65 7i1b s LEU 73 N -2.66 4.48 -0.64 1.32 1.43 -1.26 -1.34 118.68 120.00 7i1b s LEU 73 Ca 0.12 1.70 0.05 0.00 -1.03 0.00 0.00 54.13 54.96 7i1b s LEU 73 Cb -0.04 -3.50 0.16 0.00 0.03 0.00 0.00 46.19 42.85 7i1b s LEU 73 CO 0.03 -0.06 0.44 -0.54 0.23 0.00 0.00 176.35 176.45 7i1b s LYS 74 N 0.08 2.16 0.00 1.70 1.02 0.55 -4.71 119.74 120.54 7i1b s LYS 74 Ca 0.45 -3.06 0.00 0.00 0.02 0.00 0.00 55.97 53.38 7i1b s LYS 74 Cb -0.22 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 33.99 7i1b s LYS 74 CO 0.28 -1.28 0.00 -0.25 -0.92 0.00 0.00 175.35 173.18 7i1b n ASP 75 N 2.25 -1.64 -0.05 2.83 8.00 -1.26 -3.62 116.55 123.06 7i1b n ASP 75 Ca 0.19 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.69 7i1b n ASP 75 Cb 0.36 -0.41 -0.00 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 0.11 -4.67 -4.09 -2.24 8.00 -1.26 -4.97 116.55 107.43 7i1b n ASP 76 Ca 0.00 0.02 -0.32 0.00 0.71 0.00 0.00 54.79 55.19 7i1b n ASP 76 Cb 0.41 -2.23 -0.16 0.00 -0.02 0.00 0.00 41.12 39.12 7i1b n ASP 76 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 7i1b s LYS 77 N -1.23 2.65 0.48 -1.24 1.02 -1.24 -5.08 119.74 115.10 7i1b s LYS 77 Ca 0.00 -0.93 -0.23 0.00 0.02 0.00 0.00 55.97 54.83 7i1b s LYS 77 Cb 0.00 -2.59 -0.08 0.00 -0.52 0.00 0.00 37.83 34.64 7i1b s LYS 77 CO 0.00 -0.32 1.08 -2.30 -0.92 0.00 0.00 175.35 172.90 7i1b n PRO 78 N 4.60 1.40 -3.88 -1.68 -0.02 -1.26 -0.33 135.00 133.83 7i1b n PRO 78 Ca -0.18 0.51 -0.09 0.00 -2.02 0.00 0.00 63.50 61.72 7i1b n PRO 78 Cb 0.48 -2.19 -0.04 0.00 -0.02 0.00 0.00 33.50 31.72 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 -1.32 0.01 -0.15 3.45 2.01 -0.45 -4.77 115.64 114.42 7i1b s THR 79 Ca 0.66 -1.10 -0.08 0.00 0.31 0.00 0.00 61.69 61.49 7i1b s THR 79 Cb -0.50 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 7i1b s THR 79 CO 0.54 -0.04 0.12 -0.22 -0.69 0.00 0.00 174.62 174.33 7i1b s LEU 80 N -2.95 4.20 0.00 4.42 2.96 -1.26 -2.19 118.68 123.87 7i1b s LEU 80 Ca 0.15 0.33 -0.22 0.00 -0.22 0.00 0.00 54.13 54.16 7i1b s LEU 80 Cb -0.02 -2.04 0.05 0.00 0.50 0.00 0.00 46.19 44.67 7i1b s LEU 80 CO 0.05 0.31 0.50 -1.58 -1.32 0.00 0.00 176.35 174.31 7i1b s GLN 81 N -0.44 0.94 0.06 1.98 2.00 -0.81 -4.82 119.66 118.57 7i1b s GLN 81 Ca 0.11 -0.10 -0.12 0.00 -2.00 0.00 0.00 55.36 53.25 7i1b s GLN 81 Cb -0.12 0.43 -0.06 0.00 0.80 0.00 0.00 33.01 34.07 7i1b s GLN 81 CO 0.02 -0.31 0.42 -0.51 -0.50 0.00 0.00 175.29 174.41 7i1b s LEU 82 N -1.60 4.39 -0.01 3.68 1.43 -1.26 0.38 118.68 125.69 7i1b s LEU 82 Ca -0.09 0.88 0.01 0.00 -1.03 0.00 0.00 54.13 53.90 7i1b s LEU 82 Cb -0.02 -2.89 0.01 0.00 0.03 0.00 0.00 46.19 43.32 7i1b s LEU 82 CO 0.03 0.21 -0.03 -0.70 0.23 0.00 0.00 176.35 176.10 7i1b s GLU 83 N -1.65 0.29 -0.20 1.70 2.12 -0.96 -4.91 118.70 115.10 7i1b s GLU 83 Ca 0.31 -0.07 -0.29 0.00 0.36 0.00 0.00 54.97 55.27 7i1b s GLU 83 Cb -0.15 -0.33 0.00 0.00 0.26 0.00 0.00 34.13 33.92 7i1b s GLU 83 CO 0.17 0.02 1.07 0.45 -0.54 0.00 0.00 175.26 176.43 7i1b s SER 84 N 0.20 7.09 0.03 -1.70 0.15 -1.26 -1.11 113.70 117.11 7i1b s SER 84 Ca -0.02 1.46 0.00 0.00 0.70 0.00 0.00 55.95 58.09 7i1b s SER 84 Cb -0.05 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 7i1b s SER 84 CO -0.00 -0.65 0.00 1.33 1.20 0.00 0.00 173.24 175.11 7i1b n VAL 85 N 5.21 0.00 -2.94 4.45 0.24 -1.10 -4.97 118.33 119.22 7i1b n VAL 85 Ca 0.12 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.00 7i1b n VAL 85 Cb 0.46 -1.07 -0.05 0.00 -1.47 0.00 0.00 33.84 31.71 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 6.61 0.00 -1.34 -1.08 -1.26 -4.90 116.67 113.70 7i1b s ASP 86 Ca 0.00 0.49 0.05 0.00 -0.52 0.00 0.00 52.55 52.58 7i1b s ASP 86 Cb 0.00 -2.41 0.24 0.00 -1.46 0.00 0.00 42.92 39.30 7i1b s ASP 86 CO 0.00 -0.70 1.09 -0.81 0.52 0.00 0.00 175.17 175.27 7i1b n PRO 87 N 6.37 0.04 -0.12 4.34 -0.04 -1.26 -1.62 135.00 142.70 7i1b n PRO 87 Ca 0.04 0.32 -0.15 0.00 -0.04 0.00 0.00 63.50 63.67 7i1b n PRO 87 Cb 0.48 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.39 0.67 -0.08 0.54 4.76 -1.26 -4.67 118.16 116.73 7i1b n LYS 88 Ca 0.02 0.09 -0.15 0.00 -2.87 0.00 0.00 58.31 55.40 7i1b n LYS 88 Cb 0.05 -1.51 -0.10 0.00 -1.84 0.00 0.00 35.03 31.63 7i1b n LYS 88 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 7i1b h ASN 89 N 0.00 0.00 -3.74 4.39 4.21 -1.87 -3.46 115.58 115.10 7i1b h ASN 89 Ca -0.56 -0.61 -0.49 0.00 1.21 0.00 0.00 56.30 55.84 7i1b h ASN 89 Cb 2.01 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 39.19 7i1b h ASN 89 CO -0.05 1.13 0.15 -0.31 -1.29 0.00 0.00 177.43 177.06 7i1b s TYR 90 N -2.21 3.44 0.33 1.19 1.51 -0.64 -3.67 117.35 117.30 7i1b s TYR 90 Ca -0.21 1.34 -0.27 0.00 -1.01 0.00 0.00 57.07 56.92 7i1b s TYR 90 Cb 0.01 -2.62 -0.09 0.00 -0.11 0.00 0.00 41.96 39.15 7i1b s TYR 90 CO 0.54 0.13 1.08 -1.25 -1.11 0.00 0.00 175.55 174.94 7i1b s PRO 91 N -2.72 4.43 0.26 -1.71 0.04 -1.26 -4.64 135.00 129.39 7i1b s PRO 91 Ca 0.52 1.70 0.03 0.00 0.04 0.00 0.00 61.00 63.29 7i1b s PRO 91 Cb -0.12 -2.92 -0.05 0.00 0.04 0.00 0.00 34.50 31.45 7i1b s PRO 91 CO 0.18 0.05 0.05 0.21 0.04 0.00 0.00 177.00 177.53 7i1b s LYS 92 N -1.89 1.42 0.07 4.56 2.20 -1.24 -1.96 119.74 122.90 7i1b s LYS 92 Ca 0.50 -1.75 -0.22 0.00 -0.36 0.00 0.00 55.97 54.14 7i1b s LYS 92 Cb -0.28 -0.50 -0.13 0.00 -1.51 0.00 0.00 37.83 35.41 7i1b s LYS 92 CO 0.36 -0.20 1.60 -0.22 -0.36 0.00 0.00 175.35 176.53 7i1b h LYS 93 N 2.38 0.16 -5.90 4.03 3.64 -1.91 -3.43 116.57 115.53 7i1b h LYS 93 Ca -0.39 -0.03 -0.62 0.00 -1.27 0.00 0.00 60.65 58.34 7i1b h LYS 93 Cb 1.24 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.98 7i1b h LYS 93 CO 0.64 0.28 -0.45 0.21 -2.27 0.00 0.00 179.45 177.86 7i1b s LYS 94 N -5.50 3.49 -0.02 1.90 2.20 -1.26 -1.41 119.74 119.15 7i1b s LYS 94 Ca -0.14 -0.28 -0.11 0.00 -0.36 0.00 0.00 55.97 55.09 7i1b s LYS 94 Cb 0.06 -3.05 0.01 0.00 -1.51 0.00 0.00 37.83 33.35 7i1b s LYS 94 CO 0.69 0.63 0.23 -1.64 -0.36 0.00 0.00 175.35 174.89 7i1b s MET 95 N -2.15 0.54 0.56 4.03 -1.94 -1.26 -4.99 119.30 114.09 7i1b s MET 95 Ca 0.31 -0.22 -0.20 0.00 -1.71 0.00 0.00 55.69 53.87 7i1b s MET 95 Cb -0.13 0.24 -0.05 0.00 2.01 0.00 0.00 34.83 36.90 7i1b s MET 95 CO 0.22 -0.14 1.20 -1.21 -0.01 0.00 0.00 175.02 175.09 7i1b s GLU 96 N -1.18 3.17 0.50 2.03 2.02 -1.26 -4.78 118.70 119.19 7i1b s GLU 96 Ca -0.12 1.83 0.29 0.00 0.02 0.00 0.00 54.97 56.98 7i1b s GLU 96 Cb -0.06 -2.05 1.38 0.00 0.10 0.00 0.00 34.13 33.51 7i1b s GLU 96 CO 0.03 -1.05 1.83 0.87 0.02 0.00 0.00 175.26 176.95 7i1b h LYS 97 N 1.17 0.13 -0.45 1.61 1.79 -1.94 0.26 116.57 119.14 7i1b h LYS 97 Ca -0.50 -0.01 0.11 0.00 -2.18 0.00 0.00 60.65 58.07 7i1b h LYS 97 Cb 1.28 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.88 7i1b h LYS 97 CO 0.56 0.08 0.32 0.07 -1.08 0.00 0.00 179.45 179.41 7i1b h ARG 98 N 0.13 0.12 -0.01 3.15 0.11 -1.89 -0.35 114.38 115.63 7i1b h ARG 98 Ca 0.52 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.59 7i1b h ARG 98 Cb 1.82 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.87 7i1b h ARG 98 CO -0.09 0.08 -0.65 1.19 0.10 0.00 0.00 179.97 180.60 7i1b n PHE 99 N -4.44 0.00 -2.98 4.08 3.72 0.88 -2.93 117.46 115.80 7i1b n PHE 99 Ca 0.07 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.06 7i1b n PHE 99 Cb 0.44 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.93 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 -2.65 4.91 -0.20 -4.37 1.01 -0.14 -4.37 120.40 114.58 7i1b s VAL 100 Ca 0.15 1.42 0.00 0.00 0.00 0.00 0.00 61.98 63.55 7i1b s VAL 100 Cb 0.17 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 32.52 7i1b s VAL 100 CO 0.67 -0.00 -0.16 -0.36 0.00 0.00 0.00 175.10 175.25 7i1b s PHE 101 N 2.49 2.87 -0.59 5.22 0.40 -0.94 -2.13 117.98 125.31 7i1b s PHE 101 Ca 0.32 -1.60 -0.27 0.00 -0.60 0.00 0.00 56.93 54.78 7i1b s PHE 101 Cb -0.16 -1.96 -0.01 0.00 0.51 0.00 0.00 43.02 41.40 7i1b s PHE 101 CO 0.09 -0.77 1.74 -0.80 0.70 0.00 0.00 175.22 176.17 7i1b s ASN 102 N 1.30 5.53 -0.60 1.36 0.02 -0.83 -2.46 114.94 119.26 7i1b s ASN 102 Ca 0.03 0.33 -0.27 0.00 -1.02 0.00 0.00 52.86 51.94 7i1b s ASN 102 Cb -0.14 -2.53 0.03 0.00 0.02 0.00 0.00 41.25 38.63 7i1b s ASN 102 CO -0.10 -2.18 1.15 -0.75 0.02 0.00 0.00 177.10 175.24 7i1b s LYS 103 N 6.58 3.41 0.42 -0.60 2.20 -0.96 -2.50 119.74 128.29 7i1b s LYS 103 Ca 0.63 0.02 0.08 0.00 -0.36 0.00 0.00 55.97 56.34 7i1b s LYS 103 Cb -0.13 -4.06 -0.00 0.00 -1.51 0.00 0.00 37.83 32.13 7i1b s LYS 103 CO 0.22 -1.73 0.50 0.42 -0.36 0.00 0.00 175.35 174.40 7i1b s ILE 104 N 4.85 2.90 -0.13 5.43 1.01 -0.26 -2.24 121.20 132.76 7i1b s ILE 104 Ca 0.38 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 59.92 7i1b s ILE 104 Cb -0.09 -3.01 0.02 0.00 0.01 0.00 0.00 42.46 39.40 7i1b s ILE 104 CO 0.22 -0.00 -0.12 -1.61 0.00 0.00 0.00 174.94 173.42 7i1b s GLU 105 N -4.27 1.99 -0.12 2.79 2.02 -1.26 -1.99 118.70 117.86 7i1b s GLU 105 Ca 0.52 -0.45 -0.04 0.00 0.02 0.00 0.00 54.97 55.03 7i1b s GLU 105 Cb -0.08 -1.86 0.06 0.00 0.10 0.00 0.00 34.13 32.36 7i1b s GLU 105 CO 0.31 -0.20 0.17 0.42 0.02 0.00 0.00 175.26 175.97 7i1b s ILE 106 N 1.44 -0.25 -1.12 -1.63 1.01 0.49 -4.88 121.20 116.25 7i1b s ILE 106 Ca 0.02 0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.84 7i1b s ILE 106 Cb -0.13 -0.42 0.00 0.00 0.01 0.00 0.00 42.46 41.92 7i1b s ILE 106 CO -0.08 0.01 0.94 -3.20 0.00 0.00 0.00 174.94 172.61 7i1b n ASN 107 N 5.32 -2.64 -1.86 3.58 4.05 -1.26 -1.67 115.26 120.79 7i1b n ASN 107 Ca -0.05 -0.56 -0.17 0.00 0.45 0.00 0.00 54.58 54.26 7i1b n ASN 107 Cb 0.50 -4.71 -0.05 0.00 1.23 0.00 0.00 39.78 36.75 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 -2.90 -4.64 -4.26 1.20 5.03 -1.26 -4.94 115.26 103.49 7i1b n ASN 108 Ca -0.22 0.28 -0.24 0.00 0.87 0.00 0.00 54.58 55.27 7i1b n ASN 108 Cb 0.64 -4.07 -0.13 0.00 -1.02 0.00 0.00 39.78 35.21 7i1b n ASN 108 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 7i1b s LYS 109 N -4.07 1.16 0.06 3.52 3.01 -0.67 -5.01 119.74 117.74 7i1b s LYS 109 Ca 0.00 -1.08 -0.01 0.00 -1.01 0.00 0.00 55.97 53.88 7i1b s LYS 109 Cb 0.00 -1.36 -0.04 0.00 -1.01 0.00 0.00 37.83 35.42 7i1b s LYS 109 CO 0.00 0.32 0.22 -0.51 0.51 0.00 0.00 175.35 175.89 7i1b s LEU 110 N -1.69 4.36 -0.04 3.17 1.43 0.57 -0.38 118.68 126.09 7i1b s LEU 110 Ca 0.06 0.29 -0.00 0.00 -1.03 0.00 0.00 54.13 53.45 7i1b s LEU 110 Cb -0.10 -2.94 0.03 0.00 0.03 0.00 0.00 46.19 43.21 7i1b s LEU 110 CO 0.03 0.17 0.00 -1.61 0.23 0.00 0.00 176.35 175.18 7i1b s GLU 111 N -2.46 0.38 -0.32 1.70 2.02 -0.84 0.37 118.70 119.56 7i1b s GLU 111 Ca 0.34 0.11 -0.10 0.00 0.02 0.00 0.00 54.97 55.34 7i1b s GLU 111 Cb -0.13 -0.65 -0.01 0.00 0.10 0.00 0.00 34.13 33.44 7i1b s GLU 111 CO 0.27 -0.20 0.17 -0.06 0.02 0.00 0.00 175.26 175.46 7i1b s PHE 112 N 1.43 3.19 -0.09 1.61 0.08 -1.26 -1.10 117.98 121.84 7i1b s PHE 112 Ca -0.04 -0.46 -0.05 0.00 0.12 0.00 0.00 56.93 56.50 7i1b s PHE 112 Cb -0.13 -2.38 -0.04 0.00 -0.57 0.00 0.00 43.02 39.90 7i1b s PHE 112 CO -0.03 -0.42 0.12 -1.83 -0.10 0.00 0.00 175.22 172.96 7i1b s GLU 113 N 1.64 3.35 -0.61 0.44 4.04 -1.04 -2.17 118.70 124.34 7i1b s GLU 113 Ca 0.05 -0.22 -0.27 0.00 0.04 0.00 0.00 54.97 54.57 7i1b s GLU 113 Cb -0.17 -3.10 0.01 0.00 0.02 0.00 0.00 34.13 30.89 7i1b s GLU 113 CO 0.07 0.75 1.54 0.45 -1.84 0.00 0.00 175.26 176.23 7i1b s SER 114 N -1.17 5.85 0.63 0.83 0.15 -0.58 -1.96 113.70 117.44 7i1b s SER 114 Ca 0.17 0.16 0.13 0.00 0.70 0.00 0.00 55.95 57.10 7i1b s SER 114 Cb -0.12 -2.54 0.68 0.00 -1.71 0.00 0.00 66.02 62.33 7i1b s SER 114 CO 0.06 -1.96 1.37 0.00 1.20 0.00 0.00 173.24 173.91 7i1b h ALA 115 N 12.13 1.67 0.00 5.45 0.00 -1.61 0.19 119.26 137.10 7i1b h ALA 115 Ca -0.27 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 7i1b h ALA 115 Cb 1.11 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 7i1b h ALA 115 CO 1.21 -0.67 -0.05 0.37 0.00 0.00 0.00 179.25 180.11 7i1b h GLN 116 N 0.00 0.00 -4.03 0.00 4.15 -1.82 -3.43 115.11 109.98 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 1.38 0.00 -0.34 0.00 0.21 0.00 0.00 27.48 28.73 7i1b h GLN 116 CO 0.00 0.21 -0.42 -0.06 -1.93 0.00 0.00 178.83 176.62 7i1b s PHE 117 N -1.73 3.49 0.83 3.99 0.08 0.05 -5.09 117.98 119.61 7i1b s PHE 117 Ca -0.05 -2.47 -0.13 0.00 0.12 0.00 0.00 56.93 54.40 7i1b s PHE 117 Cb -0.00 -3.27 0.09 0.00 -0.57 0.00 0.00 43.02 39.27 7i1b s PHE 117 CO 0.15 -0.92 1.19 -2.30 -0.10 0.00 0.00 175.22 173.25 7i1b n PRO 118 N 4.11 0.08 0.00 0.24 -0.02 -1.22 -2.35 135.00 135.83 7i1b n PRO 118 Ca 0.02 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 7i1b n PRO 118 Cb 0.40 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 7i1b n PRO 118 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 7i1b n ASN 119 N -3.41 0.00 -4.39 2.55 3.02 -1.26 -4.97 115.26 106.79 7i1b n ASN 119 Ca 0.13 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.32 7i1b n ASN 119 Cb 0.51 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.55 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 -2.16 3.10 0.29 3.10 0.52 -0.99 -4.61 118.94 118.20 7i1b s TRP 120 Ca 0.00 -0.71 0.01 0.00 0.02 0.00 0.00 56.10 55.42 7i1b s TRP 120 Cb 0.00 -2.24 0.01 0.00 -1.15 0.00 0.00 33.47 30.09 7i1b s TRP 120 CO 0.00 -0.47 0.08 0.66 0.02 0.00 0.00 176.95 177.24 7i1b n TYR 121 N 4.89 0.06 -3.30 -1.98 4.02 -0.89 -1.53 117.16 118.43 7i1b n TYR 121 Ca -0.16 -1.37 -0.38 0.00 -0.01 0.00 0.00 57.90 55.99 7i1b n TYR 121 Cb 0.50 -0.21 -0.06 0.00 -0.02 0.00 0.00 39.34 39.55 7i1b n TYR 121 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 7i1b s ILE 122 N -1.84 5.17 0.11 -0.72 1.01 -0.92 -1.68 121.20 122.33 7i1b s ILE 122 Ca 0.06 0.95 0.00 0.00 0.00 0.00 0.00 60.65 61.67 7i1b s ILE 122 Cb -0.00 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 7i1b s ILE 122 CO 0.04 0.29 -0.00 -0.44 0.00 0.00 0.00 174.94 174.82 7i1b s SER 123 N 0.77 0.76 0.15 3.58 0.01 -0.63 -4.44 113.70 113.90 7i1b s SER 123 Ca 0.25 -1.11 0.05 0.00 1.31 0.00 0.00 55.95 56.46 7i1b s SER 123 Cb -0.15 0.18 -0.04 0.00 0.21 0.00 0.00 66.02 66.22 7i1b s SER 123 CO 0.10 -0.60 -0.12 0.42 0.41 0.00 0.00 173.24 173.45 7i1b s THR 124 N -3.83 1.31 -0.22 1.44 -4.23 -0.81 -2.68 115.64 106.62 7i1b s THR 124 Ca 0.17 -1.99 -0.20 0.00 -1.18 0.00 0.00 61.69 58.49 7i1b s THR 124 Cb 0.07 -1.79 -0.02 0.00 1.34 0.00 0.00 72.50 72.10 7i1b s THR 124 CO -0.02 -0.63 0.60 -0.55 -0.54 0.00 0.00 174.62 173.49 7i1b s SER 125 N -2.99 6.61 0.55 3.99 0.15 -1.26 -2.73 113.70 118.02 7i1b s SER 125 Ca 0.15 0.74 0.39 0.00 0.70 0.00 0.00 55.95 57.93 7i1b s SER 125 Cb -0.00 -2.33 1.56 0.00 -1.71 0.00 0.00 66.02 63.54 7i1b s SER 125 CO 0.02 -0.29 1.74 -0.61 1.20 0.00 0.00 173.24 175.30 7i1b h GLN 126 N 7.66 0.00 -6.63 5.44 4.15 -1.97 -3.41 115.11 120.35 7i1b h GLN 126 Ca -0.30 0.00 -0.50 0.00 0.77 0.00 0.00 58.65 58.62 7i1b h GLN 126 Cb 1.14 0.00 0.23 0.00 0.21 0.00 0.00 27.48 29.05 7i1b h GLN 126 CO 0.76 0.00 -1.00 0.00 -1.93 0.00 0.00 178.83 176.66 7i1b n ALA 127 N -2.76 -3.62 -2.29 3.38 0.00 -1.26 -4.94 120.51 109.02 7i1b n ALA 127 Ca 0.28 -0.91 -0.35 0.00 0.00 0.00 0.00 53.44 52.47 7i1b n ALA 127 Cb 1.39 -1.58 -0.06 0.00 0.00 0.00 0.00 19.45 19.20 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 -3.32 4.01 -0.47 0.00 2.02 -1.26 -4.52 118.70 115.15 7i1b s GLU 128 Ca 0.54 0.56 -0.25 0.00 0.02 0.00 0.00 54.97 55.83 7i1b s GLU 128 Cb -0.16 -2.81 0.04 0.00 0.10 0.00 0.00 34.13 31.30 7i1b s GLU 128 CO 0.68 0.40 0.64 -1.71 0.02 0.00 0.00 175.26 175.29 7i1b n ASN 129 N 0.49 -6.72 -3.79 -0.19 2.85 -1.26 -5.02 115.26 101.62 7i1b n ASN 129 Ca -0.03 0.13 -0.14 0.00 -0.11 0.00 0.00 54.58 54.44 7i1b n ASN 129 Cb 0.52 -3.55 -0.15 0.00 1.24 0.00 0.00 39.78 37.84 7i1b n ASN 129 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 7i1b s MET 130 N -2.66 0.02 0.61 1.20 -1.94 -1.26 -5.01 119.30 110.28 7i1b s MET 130 Ca 0.29 0.19 -0.19 0.00 -1.71 0.00 0.00 55.69 54.27 7i1b s MET 130 Cb -0.05 -0.14 -0.02 0.00 2.01 0.00 0.00 34.83 36.63 7i1b s MET 130 CO 0.82 -0.11 1.30 -1.25 -0.01 0.00 0.00 175.02 175.77 7i1b s PRO 131 N 0.74 2.77 0.53 2.03 0.04 -1.26 -2.50 135.00 137.35 7i1b s PRO 131 Ca -0.06 2.08 -0.16 0.00 0.04 0.00 0.00 61.00 62.89 7i1b s PRO 131 Cb -0.08 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.42 7i1b s PRO 131 CO -0.03 -1.43 1.00 0.08 0.04 0.00 0.00 177.00 176.66 7i1b s VAL 132 N -1.40 4.41 0.37 -0.36 1.01 -1.01 -4.68 120.40 118.74 7i1b s VAL 132 Ca 0.79 1.15 -0.17 0.00 0.00 0.00 0.00 61.98 63.75 7i1b s VAL 132 Cb -0.37 -3.66 0.05 0.00 0.00 0.00 0.00 36.38 32.39 7i1b s VAL 132 CO 0.41 -0.67 0.78 0.72 0.00 0.00 0.00 175.10 176.35 7i1b s PHE 133 N -2.60 0.08 -0.21 5.22 -0.71 -1.09 -4.87 117.98 113.79 7i1b s PHE 133 Ca 0.60 -0.72 -0.11 0.00 -1.04 0.00 0.00 56.93 55.66 7i1b s PHE 133 Cb -0.11 0.82 -0.05 0.00 -1.21 0.00 0.00 43.02 42.47 7i1b s PHE 133 CO 0.33 -1.52 0.17 -1.17 -1.34 0.00 0.00 175.22 171.69 7i1b s LEU 134 N -3.05 4.18 0.13 -1.99 2.96 -1.26 -1.60 118.68 118.04 7i1b s LEU 134 Ca 0.15 0.24 0.06 0.00 -0.22 0.00 0.00 54.13 54.36 7i1b s LEU 134 Cb -0.05 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 7i1b s LEU 134 CO 0.11 0.12 -0.14 -0.83 -1.32 0.00 0.00 176.35 174.29 7i1b s GLY 135 N 0.63 1.10 -0.69 7.98 0.00 -0.67 -4.71 107.32 110.96 7i1b s GLY 135 Ca 0.09 -1.31 0.01 0.00 0.00 0.00 0.00 44.72 43.51 7i1b s GLY 135 CO 0.01 -1.37 1.61 0.61 0.00 0.00 0.00 173.10 173.95 7i1b n GLY 136 N 0.48 5.76 2.58 0.20 0.00 -1.26 -2.09 105.19 110.86 7i1b n GLY 136 Ca -0.15 -2.61 -0.29 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 -5.17 0.78 -0.21 2.61 2.01 -1.26 -5.02 115.64 109.38 7i1b s THR 137 Ca 0.49 -2.18 -0.29 0.00 0.31 0.00 0.00 61.69 60.03 7i1b s THR 137 Cb 0.40 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 7i1b s THR 137 CO -0.30 -0.96 1.89 -0.75 -0.69 0.00 0.00 174.62 173.82 7i1b s LYS 138 N 0.66 3.54 7.97 4.92 2.20 -1.26 -4.60 119.74 133.15 7i1b s LYS 138 Ca 0.19 1.85 0.00 0.00 -0.36 0.00 0.00 55.97 57.65 7i1b s LYS 138 Cb -0.22 -4.19 0.00 0.00 -1.51 0.00 0.00 37.83 31.91 7i1b s LYS 138 CO -0.01 -1.62 0.00 0.41 -0.36 0.00 0.00 175.35 173.77 7i1b n GLY 139 N 5.16 3.23 7.00 5.54 0.00 -1.26 -4.91 105.19 119.95 7i1b n GLY 139 Ca 0.23 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 3.94 0.08 -0.02 0.00 -1.26 -2.61 105.19 105.32 7i1b n GLY 140 Ca 0.00 0.20 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 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 13.69 1.26 -2.52 1.61 0.00 -1.26 -4.97 117.38 125.19 7i1b n GLN 141 Ca 0.00 0.02 -0.35 0.00 -0.00 0.00 0.00 57.00 56.66 7i1b n GLN 141 Cb 0.00 -1.40 -0.03 0.00 0.00 0.00 0.00 30.24 28.80 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 -5.12 6.49 -0.61 1.69 1.11 -1.07 -4.77 116.67 114.39 7i1b s ASP 142 Ca -0.11 2.01 -0.20 0.00 0.18 0.00 0.00 52.55 54.42 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 0.61 -0.68 0.78 -0.63 1.18 0.00 0.00 175.17 176.43 7i1b s ILE 143 N -1.81 4.67 -0.13 0.77 1.01 -1.11 -4.34 121.20 120.27 7i1b s ILE 143 Ca 0.63 -0.75 0.18 0.00 0.00 0.00 0.00 60.65 60.72 7i1b s ILE 143 Cb -0.20 -4.54 -0.19 0.00 0.01 0.00 0.00 42.46 37.55 7i1b s ILE 143 CO 0.24 -1.20 0.62 0.35 0.00 0.00 0.00 174.94 174.94 7i1b n THR 144 N 5.68 0.98 -1.30 2.92 -2.24 -1.26 -1.93 114.28 117.13 7i1b n THR 144 Ca -0.07 -0.68 -0.30 0.00 -2.27 0.00 0.00 64.05 60.72 7i1b n THR 144 Cb 0.44 -0.53 0.11 0.00 -2.10 0.00 0.00 70.33 68.25 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 -5.46 4.00 0.31 3.42 1.47 -1.26 -4.58 116.67 114.57 7i1b s ASP 145 Ca -0.05 1.54 -0.08 0.00 1.18 0.00 0.00 52.55 55.14 7i1b s ASP 145 Cb 0.09 -2.24 0.03 0.00 -0.34 0.00 0.00 42.92 40.46 7i1b s ASP 145 CO 0.83 -2.31 0.55 0.49 0.68 0.00 0.00 175.17 175.41 7i1b n PHE 146 N -3.68 -1.79 -3.66 2.11 3.72 0.16 -4.43 117.46 109.90 7i1b n PHE 146 Ca 0.07 -1.69 -0.05 0.00 -0.05 0.00 0.00 57.45 55.73 7i1b n PHE 146 Cb 0.55 0.64 -0.07 0.00 -0.94 0.00 0.00 39.48 39.65 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 -2.46 -0.77 0.49 4.37 -4.23 -0.36 -0.31 115.64 112.36 7i1b s THR 147 Ca 0.17 0.10 -0.02 0.00 -1.18 0.00 0.00 61.69 60.77 7i1b s THR 147 Cb -0.03 -0.80 -0.00 0.00 1.34 0.00 0.00 72.50 73.01 7i1b s THR 147 CO 0.13 0.04 0.73 0.00 -0.54 0.00 0.00 174.62 174.98 7i1b s MET 148 N 2.70 3.06 -0.07 3.99 0.23 -1.26 -1.30 119.30 126.64 7i1b s MET 148 Ca -0.04 -0.33 -0.03 0.00 -1.03 0.00 0.00 55.69 54.27 7i1b s MET 148 Cb -0.12 -2.48 0.04 0.00 -1.53 0.00 0.00 34.83 30.74 7i1b s MET 148 CO -0.15 -0.37 0.09 -1.14 -2.03 0.00 0.00 175.02 171.42 7i1b s GLN 149 N -4.67 -0.03 0.41 3.16 2.00 -0.56 -4.95 119.66 115.01 7i1b s GLN 149 Ca 0.50 0.38 -0.27 0.00 -2.00 0.00 0.00 55.36 53.96 7i1b s GLN 149 Cb -0.10 -0.60 -0.10 0.00 0.80 0.00 0.00 33.01 33.01 7i1b s GLN 149 CO 0.40 -0.36 1.47 1.19 -0.50 0.00 0.00 175.29 177.49 7i1b n PHE 150 N 5.30 2.91 -4.37 1.67 3.01 -1.26 -2.33 117.46 122.40 7i1b n PHE 150 Ca -0.04 0.44 -0.19 0.00 1.01 0.00 0.00 57.45 58.67 7i1b n PHE 150 Cb 0.50 -2.51 -0.10 0.00 -0.01 0.00 0.00 39.48 37.36 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 -1.15 1.74 1.27 -4.37 -7.23 -1.18 -4.91 120.40 104.57 7i1b s VAL 151 Ca 0.56 -2.20 -0.19 0.00 -1.81 0.00 0.00 61.98 58.34 7i1b s VAL 151 Cb -0.46 -2.16 0.31 0.00 0.56 0.00 0.00 36.38 34.62 7i1b s VAL 151 CO 0.62 -0.51 1.02 -0.94 -0.31 0.00 0.00 175.10 174.98 7i1b s SER 152 N -3.36 0.24 0.00 4.85 1.04 -1.26 -4.88 113.70 110.34 7i1b s SER 152 Ca 0.25 0.89 0.00 0.00 0.48 0.00 0.00 55.95 57.57 7i1b s SER 152 Cb 0.00 -1.30 0.00 0.00 0.10 0.00 0.00 66.02 64.82 7i1b s SER 152 CO 0.08 -4.57 0.00 -1.54 0.98 0.00 0.00 173.24 168.20