#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 0.89 -0.73 0.00 -0.04 -1.26 -4.75 135.00 129.10 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 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 7i1b n PRO 2 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 7i1b n VAL 3 N 0.43 0.00 -3.82 0.52 0.24 -1.26 -4.97 118.33 109.47 7i1b n VAL 3 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.01 7i1b n VAL 3 Cb 0.39 -0.46 -0.16 0.00 -1.47 0.00 0.00 33.84 32.14 7i1b n VAL 3 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 7i1b s ARG 4 N 0.05 1.05 0.51 7.34 3.00 -1.26 -5.11 118.95 124.53 7i1b s ARG 4 Ca 0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 55.73 55.02 7i1b s ARG 4 Cb 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 34.95 32.64 7i1b s ARG 4 CO 0.00 -0.64 0.76 -1.12 0.00 0.00 0.00 175.30 174.30 7i1b s SER 5 N 1.65 5.75 -0.17 0.23 0.01 -1.26 -3.25 113.70 116.67 7i1b s SER 5 Ca -0.02 0.47 -0.04 0.00 1.31 0.00 0.00 55.95 57.66 7i1b s SER 5 Cb -0.18 -1.61 0.07 0.00 0.21 0.00 0.00 66.02 64.51 7i1b s SER 5 CO -0.08 -0.84 0.16 -0.76 0.41 0.00 0.00 173.24 172.13 7i1b s LEU 6 N -4.73 0.06 -0.17 2.44 1.02 0.75 -4.93 118.68 113.12 7i1b s LEU 6 Ca 0.51 -0.26 -0.29 0.00 0.02 0.00 0.00 54.13 54.10 7i1b s LEU 6 Cb -0.10 0.13 -0.02 0.00 0.02 0.00 0.00 46.19 46.22 7i1b s LEU 6 CO 0.41 -0.32 1.29 0.20 0.02 0.00 0.00 176.35 177.95 7i1b s ASN 7 N 2.25 6.90 0.03 2.29 0.01 -1.26 0.10 114.94 125.26 7i1b s ASN 7 Ca 0.04 1.68 -0.19 0.00 -0.71 0.00 0.00 52.86 53.68 7i1b s ASN 7 Cb -0.15 -2.54 0.04 0.00 0.41 0.00 0.00 41.25 39.01 7i1b s ASN 7 CO -0.10 -0.81 0.43 0.00 -1.51 0.00 0.00 177.10 175.12 7i1b s THR 9 N -2.17 4.09 -0.15 0.00 -4.23 -1.05 -1.20 115.64 110.93 7i1b s THR 9 Ca -0.07 -1.39 0.01 0.00 -1.18 0.00 0.00 61.69 59.06 7i1b s THR 9 Cb -0.01 -3.32 0.00 0.00 1.34 0.00 0.00 72.50 70.51 7i1b s THR 9 CO -0.00 -0.28 -0.18 -0.76 -0.54 0.00 0.00 174.62 172.86 7i1b s LEU 10 N -3.90 2.35 0.02 4.79 1.43 -1.26 -2.30 118.68 119.80 7i1b s LEU 10 Ca 0.36 -0.52 0.07 0.00 -1.03 0.00 0.00 54.13 53.01 7i1b s LEU 10 Cb -0.07 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 7i1b s LEU 10 CO 0.26 0.08 -0.20 -0.60 0.23 0.00 0.00 176.35 176.11 7i1b s ARG 11 N 0.82 1.51 0.49 1.70 3.52 -0.79 -3.53 118.95 122.67 7i1b s ARG 11 Ca -0.06 -0.84 -0.07 0.00 -0.13 0.00 0.00 55.73 54.63 7i1b s ARG 11 Cb -0.15 -1.54 -0.04 0.00 -1.56 0.00 0.00 34.95 31.65 7i1b s ARG 11 CO -0.01 0.41 0.82 0.16 -0.81 0.00 0.00 175.30 175.87 7i1b s ASP 12 N -0.85 6.32 0.00 -2.12 -4.77 -0.25 -0.71 116.67 114.28 7i1b s ASP 12 Ca 0.08 1.06 0.06 0.00 -3.30 0.00 0.00 52.55 50.45 7i1b s ASP 12 Cb -0.08 -2.30 0.37 0.00 -1.09 0.00 0.00 42.92 39.81 7i1b s ASP 12 CO 0.01 -0.59 0.78 -1.54 0.70 0.00 0.00 175.17 174.53 7i1b n SER 13 N -2.13 0.00 -1.07 2.11 3.41 -1.26 -1.31 113.62 113.37 7i1b n SER 13 Ca 0.02 -0.29 0.12 0.00 -0.26 0.00 0.00 58.87 58.45 7i1b n SER 13 Cb 0.55 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 64.71 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 -0.90 2.41 -2.30 4.33 7.27 -1.26 -4.94 117.38 121.99 7i1b n GLN 14 Ca 0.05 -2.12 -0.03 0.00 0.07 0.00 0.00 57.00 54.97 7i1b n GLN 14 Cb 0.02 -1.50 0.02 0.00 2.41 0.00 0.00 30.24 31.19 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 1.36 -1.19 -4.08 3.69 7.27 -0.43 -5.07 117.38 118.94 7i1b n GLN 15 Ca 0.18 0.15 -0.08 0.00 0.07 0.00 0.00 57.00 57.32 7i1b n GLN 15 Cb 0.58 -3.09 -0.10 0.00 2.41 0.00 0.00 30.24 30.04 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 -4.35 0.58 0.41 3.69 1.02 -1.24 -4.76 119.74 115.08 7i1b s LYS 16 Ca 0.01 -1.09 0.07 0.00 0.02 0.00 0.00 55.97 54.99 7i1b s LYS 16 Cb -0.00 0.11 -0.06 0.00 -0.52 0.00 0.00 37.83 37.35 7i1b s LYS 16 CO 0.13 -0.08 0.13 -1.12 -0.92 0.00 0.00 175.35 173.50 7i1b s SER 17 N -2.57 4.29 0.13 2.83 0.01 -1.05 -1.09 113.70 116.26 7i1b s SER 17 Ca 0.02 -1.14 -0.02 0.00 1.31 0.00 0.00 55.95 56.12 7i1b s SER 17 Cb 0.03 -0.47 -0.05 0.00 0.21 0.00 0.00 66.02 65.75 7i1b s SER 17 CO -0.07 -0.51 0.33 -0.76 0.41 0.00 0.00 173.24 172.64 7i1b s LEU 18 N -3.85 4.29 -0.04 2.44 1.43 -1.23 -2.29 118.68 119.42 7i1b s LEU 18 Ca 0.39 0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 53.93 7i1b s LEU 18 Cb 0.05 -3.18 0.03 0.00 0.03 0.00 0.00 46.19 43.12 7i1b s LEU 18 CO 0.21 0.07 0.10 0.68 0.23 0.00 0.00 176.35 177.64 7i1b s VAL 19 N -1.66 -0.03 -0.79 -1.59 -7.23 0.16 -2.71 120.40 106.54 7i1b s VAL 19 Ca 0.39 0.13 -0.25 0.00 -1.81 0.00 0.00 61.98 60.43 7i1b s VAL 19 Cb -0.12 -0.16 -0.05 0.00 0.56 0.00 0.00 36.38 36.61 7i1b s VAL 19 CO 0.27 0.05 1.98 -0.04 -0.31 0.00 0.00 175.10 177.05 7i1b s MET 20 N 0.75 2.47 -0.04 4.82 1.00 -1.26 0.09 119.30 127.13 7i1b s MET 20 Ca -0.06 0.10 -0.02 0.00 0.00 0.00 0.00 55.69 55.71 7i1b s MET 20 Cb -0.08 -4.83 -0.01 0.00 0.00 0.00 0.00 34.83 29.91 7i1b s MET 20 CO -0.03 -3.29 0.15 1.03 0.00 0.00 0.00 175.02 172.87 7i1b h SER 21 N 12.79 -0.06 -1.42 3.03 0.87 -1.76 -3.48 113.55 123.52 7i1b h SER 21 Ca -0.02 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 60.05 7i1b h SER 21 Cb 1.06 0.02 0.06 0.00 -0.44 0.00 0.00 62.40 63.10 7i1b h SER 21 CO 1.19 0.15 0.04 -0.83 -0.53 0.00 0.00 176.83 176.86 7i1b s GLY 22 N -2.54 1.72 0.07 5.77 0.00 -1.00 -4.98 107.32 106.36 7i1b s GLY 22 Ca -0.01 -2.02 -0.35 0.00 0.00 0.00 0.00 44.72 42.34 7i1b s GLY 22 CO 0.03 -1.44 1.53 -2.55 0.00 0.00 0.00 173.10 170.68 7i1b h PRO 23 N -0.32 -1.08 -0.78 2.90 0.11 -2.02 -3.15 132.00 127.66 7i1b h PRO 23 Ca -0.32 0.07 -0.51 0.00 0.11 0.00 0.00 66.00 65.36 7i1b h PRO 23 Cb 1.27 0.25 -0.29 0.00 0.11 0.00 0.00 31.00 32.34 7i1b h PRO 23 CO 0.38 -0.72 0.16 0.66 -0.21 0.00 0.00 178.00 178.27 7i1b n TYR 24 N -5.42 2.58 -3.86 0.65 4.01 -1.26 -4.97 117.16 108.89 7i1b n TYR 24 Ca -0.14 -2.34 -0.12 0.00 -0.16 0.00 0.00 57.90 55.15 7i1b n TYR 24 Cb 0.47 -0.86 -0.12 0.00 -0.31 0.00 0.00 39.34 38.52 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 -3.57 0.23 0.25 -0.72 2.02 -1.19 -4.06 118.70 111.66 7i1b s GLU 25 Ca 0.55 -0.06 0.12 0.00 0.02 0.00 0.00 54.97 55.60 7i1b s GLU 25 Cb 0.46 0.10 -0.05 0.00 0.10 0.00 0.00 34.13 34.74 7i1b s GLU 25 CO 0.02 -0.04 -0.21 -0.51 0.02 0.00 0.00 175.26 174.54 7i1b s LEU 26 N -0.44 2.54 0.00 1.80 1.02 -1.26 -2.29 118.68 120.06 7i1b s LEU 26 Ca -0.05 -0.98 0.02 0.00 0.02 0.00 0.00 54.13 53.14 7i1b s LEU 26 Cb -0.03 -1.12 -0.01 0.00 0.02 0.00 0.00 46.19 45.05 7i1b s LEU 26 CO 0.00 0.06 -0.07 -0.54 0.02 0.00 0.00 176.35 175.82 7i1b s LYS 27 N -3.26 0.56 -0.23 1.70 1.02 0.11 -1.46 119.74 118.18 7i1b s LYS 27 Ca 0.27 -0.34 -0.06 0.00 0.02 0.00 0.00 55.97 55.86 7i1b s LYS 27 Cb -0.06 -0.51 -0.02 0.00 -0.52 0.00 0.00 37.83 36.72 7i1b s LYS 27 CO 0.13 0.14 0.02 0.00 -0.92 0.00 0.00 175.35 174.72 7i1b s ALA 28 N -0.36 3.04 0.36 5.17 0.00 -1.08 0.40 121.76 129.29 7i1b s ALA 28 Ca 0.01 -1.11 -0.15 0.00 0.00 0.00 0.00 51.96 50.71 7i1b s ALA 28 Cb -0.04 -1.91 0.04 0.00 0.00 0.00 0.00 23.12 21.21 7i1b s ALA 28 CO -0.00 -0.40 0.73 -0.48 0.00 0.00 0.00 175.76 175.61 7i1b s LEU 29 N 1.44 0.11 0.04 0.00 0.05 -0.97 -4.01 118.68 115.35 7i1b s LEU 29 Ca 0.05 -1.11 -0.30 0.00 0.05 0.00 0.00 54.13 52.82 7i1b s LEU 29 Cb -0.15 2.60 -0.07 0.00 -2.05 0.00 0.00 46.19 46.53 7i1b s LEU 29 CO 0.01 -1.57 1.48 -1.00 -0.55 0.00 0.00 176.35 174.73 7i1b s HIS 30 N -2.72 2.77 -0.09 3.48 3.76 -1.26 -2.51 115.29 118.72 7i1b s HIS 30 Ca 0.17 0.68 0.01 0.00 -0.15 0.00 0.00 55.06 55.77 7i1b s HIS 30 Cb -0.04 -3.76 0.02 0.00 1.11 0.00 0.00 32.58 29.90 7i1b s HIS 30 CO 0.12 -2.90 -0.12 -1.17 -0.85 0.00 0.00 174.74 169.82 7i1b s LEU 31 N 2.29 1.56 0.14 0.89 2.96 -1.26 -4.96 118.68 120.31 7i1b s LEU 31 Ca 0.67 -0.35 -0.24 0.00 -0.22 0.00 0.00 54.13 54.00 7i1b s LEU 31 Cb -0.35 -0.93 0.07 0.00 0.50 0.00 0.00 46.19 45.48 7i1b s LEU 31 CO 0.29 -0.01 0.61 -1.58 -1.32 0.00 0.00 176.35 174.34 7i1b s GLN 32 N 1.04 1.26 0.71 1.98 -0.44 -1.26 -4.90 119.66 118.04 7i1b s GLN 32 Ca -0.07 -0.41 0.00 0.00 -2.50 0.00 0.00 55.36 52.38 7i1b s GLN 32 Cb -0.15 0.58 0.00 0.00 -1.64 0.00 0.00 33.01 31.80 7i1b s GLN 32 CO -0.01 -0.54 0.00 0.41 0.50 0.00 0.00 175.29 175.65 7i1b n GLY 33 N -0.28 -1.95 0.24 2.59 0.00 -1.26 -3.92 105.19 100.61 7i1b n GLY 33 Ca -0.17 -1.63 0.15 0.00 0.00 0.00 0.00 46.02 44.36 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 0.22 115.11 119.08 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 -2.57 0.00 0.16 1.46 2.03 -1.25 -3.12 116.55 113.26 7i1b n ASP 35 Ca -0.02 -0.13 0.17 0.00 0.52 0.00 0.00 54.79 55.32 7i1b n ASP 35 Cb 0.14 -0.22 0.77 0.00 -0.72 0.00 0.00 41.12 41.08 7i1b n ASP 35 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 7i1b h MET 36 N 0.00 0.00 0.00 -0.67 -0.00 -0.74 -0.48 114.93 113.05 7i1b h MET 36 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 7i1b h MET 36 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.75 7i1b h MET 36 CO 0.00 0.00 0.22 -0.85 -0.00 0.00 0.00 176.91 176.28 7i1b n GLU 37 N -4.03 0.01 -0.58 -0.10 0.28 -1.18 -0.24 120.64 114.79 7i1b n GLU 37 Ca 0.03 0.32 -0.08 0.00 -0.16 0.00 0.00 57.16 57.27 7i1b n GLU 37 Cb 0.37 -1.75 0.13 0.00 1.43 0.00 0.00 31.44 31.62 7i1b n GLU 37 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 7i1b n GLN 38 N -1.36 2.04 -3.34 3.44 6.02 -0.19 -4.83 117.38 119.16 7i1b n GLN 38 Ca -0.00 -1.57 -0.41 0.00 -0.01 0.00 0.00 57.00 55.01 7i1b n GLN 38 Cb 0.22 -1.69 -0.09 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 -1.76 3.60 0.79 -1.09 -2.07 0.66 -4.32 119.66 115.47 7i1b s GLN 39 Ca 0.29 -0.31 -0.13 0.00 -1.82 0.00 0.00 55.36 53.39 7i1b s GLN 39 Cb 0.24 -3.80 0.07 0.00 -1.09 0.00 0.00 33.01 28.43 7i1b s GLN 39 CO 0.06 -0.56 1.15 0.08 -1.32 0.00 0.00 175.29 174.71 7i1b s VAL 40 N 2.15 2.53 -0.35 3.63 1.01 -1.10 -5.01 120.40 123.26 7i1b s VAL 40 Ca 0.14 0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.33 7i1b s VAL 40 Cb -0.16 -2.58 0.12 0.00 0.00 0.00 0.00 36.38 33.76 7i1b s VAL 40 CO 0.12 -0.18 0.17 -0.69 0.00 0.00 0.00 175.10 174.52 7i1b s VAL 41 N -2.41 0.52 0.25 2.92 1.01 -1.26 -4.56 120.40 116.87 7i1b s VAL 41 Ca 0.69 -1.59 -0.22 0.00 0.00 0.00 0.00 61.98 60.86 7i1b s VAL 41 Cb -0.24 -1.39 -0.09 0.00 0.00 0.00 0.00 36.38 34.67 7i1b s VAL 41 CO 0.51 -0.84 0.79 -0.36 0.00 0.00 0.00 175.10 175.20 7i1b s PHE 42 N 1.29 3.67 -0.71 5.22 0.40 -0.34 -2.77 117.98 124.74 7i1b s PHE 42 Ca 0.14 1.51 -0.16 0.00 -0.60 0.00 0.00 56.93 57.82 7i1b s PHE 42 Cb -0.20 -2.71 0.16 0.00 0.51 0.00 0.00 43.02 40.77 7i1b s PHE 42 CO -0.14 0.31 0.72 0.45 0.70 0.00 0.00 175.22 177.26 7i1b s SER 43 N -1.62 6.48 0.22 1.36 0.15 0.13 -0.93 113.70 119.48 7i1b s SER 43 Ca 0.45 -2.12 -0.30 0.00 0.70 0.00 0.00 55.95 54.67 7i1b s SER 43 Cb -0.17 -2.25 -0.09 0.00 -1.71 0.00 0.00 66.02 61.79 7i1b s SER 43 CO 0.22 -0.81 1.37 -0.32 1.20 0.00 0.00 173.24 174.89 7i1b s MET 44 N 1.34 4.34 -0.11 5.44 1.75 0.29 -2.65 119.30 129.69 7i1b s MET 44 Ca 0.14 2.16 -0.00 0.00 -1.25 0.00 0.00 55.69 56.74 7i1b s MET 44 Cb -0.18 -3.16 0.02 0.00 2.84 0.00 0.00 34.83 34.35 7i1b s MET 44 CO -0.03 -0.33 -0.08 -1.12 -0.65 0.00 0.00 175.02 172.81 7i1b s SER 45 N 0.39 2.19 -0.50 1.11 0.01 -0.79 0.27 113.70 116.38 7i1b s SER 45 Ca 0.58 -0.31 -0.27 0.00 1.31 0.00 0.00 55.95 57.26 7i1b s SER 45 Cb -0.39 -0.86 -0.02 0.00 0.21 0.00 0.00 66.02 64.95 7i1b s SER 45 CO 0.40 -0.11 1.89 -0.36 0.41 0.00 0.00 173.24 175.47 7i1b s PHE 46 N 1.63 1.66 0.31 2.43 0.08 -1.20 -0.59 117.98 122.30 7i1b s PHE 46 Ca 0.04 0.80 0.05 0.00 0.12 0.00 0.00 56.93 57.94 7i1b s PHE 46 Cb -0.13 -4.06 0.05 0.00 -0.57 0.00 0.00 43.02 38.32 7i1b s PHE 46 CO -0.08 -2.56 0.40 1.33 -0.10 0.00 0.00 175.22 174.22 7i1b n VAL 47 N 7.36 0.00 -3.16 -0.44 0.24 -0.85 -4.75 118.33 116.74 7i1b n VAL 47 Ca 0.23 -1.07 -0.36 0.00 -2.04 0.00 0.00 64.34 61.10 7i1b n VAL 47 Cb 0.50 -0.66 -0.06 0.00 -1.47 0.00 0.00 33.84 32.15 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 -3.40 4.20 0.00 7.34 -0.44 -0.87 -4.68 119.66 121.82 7i1b s GLN 48 Ca 0.31 0.79 0.00 0.00 -2.50 0.00 0.00 55.36 53.96 7i1b s GLN 48 Cb -0.02 -2.91 0.00 0.00 -1.64 0.00 0.00 33.01 28.44 7i1b s GLN 48 CO 0.19 0.42 0.00 0.41 0.50 0.00 0.00 175.29 176.82 7i1b n GLY 49 N 0.79 -0.92 3.53 2.59 0.00 -1.26 -4.78 105.19 105.14 7i1b n GLY 49 Ca -0.03 -0.87 -0.17 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.29 1.61 1.02 -1.26 -4.83 120.64 115.15 7i1b n GLU 50 Ca 0.00 -0.43 -0.42 0.00 -0.02 0.00 0.00 57.16 56.29 7i1b n GLU 50 Cb 0.00 -2.32 -0.03 0.00 -0.02 0.00 0.00 31.44 29.07 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 7.92 4.34 0.03 3.49 -1.05 -1.26 -4.55 118.70 127.63 7i1b s GLU 51 Ca 1.12 1.90 -0.01 0.00 -0.15 0.00 0.00 54.97 57.83 7i1b s GLU 51 Cb -0.49 -3.43 0.00 0.00 -0.44 0.00 0.00 34.13 29.77 7i1b s GLU 51 CO 0.33 -0.44 0.06 0.45 0.95 0.00 0.00 175.26 176.60 7i1b n SER 52 N 4.62 -0.16 0.07 0.83 2.88 -1.21 -5.02 113.62 115.63 7i1b n SER 52 Ca 0.11 -1.15 0.12 0.00 -1.33 0.00 0.00 58.87 56.62 7i1b n SER 52 Cb 0.44 0.28 0.08 0.00 -0.75 0.00 0.00 64.21 64.26 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 -1.49 0.74 0.01 -3.46 2.85 -1.26 -4.58 115.26 108.08 7i1b n ASN 53 Ca -0.00 0.14 0.00 0.00 -0.11 0.00 0.00 54.58 54.61 7i1b n ASN 53 Cb 0.05 0.39 0.00 0.00 1.24 0.00 0.00 39.78 41.46 7i1b n ASN 53 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 7i1b n ASP 54 N -2.30 0.33 -4.59 1.20 5.75 -1.26 -4.96 116.55 110.71 7i1b n ASP 54 Ca 0.02 0.04 -0.42 0.00 -0.01 0.00 0.00 54.79 54.42 7i1b n ASP 54 Cb 0.48 -0.10 -0.03 0.00 -1.03 0.00 0.00 41.12 40.45 7i1b n ASP 54 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 7i1b s LYS 55 N -2.00 3.19 -0.51 0.11 1.02 -1.26 -4.44 119.74 115.85 7i1b s LYS 55 Ca 0.00 1.19 -0.03 0.00 0.02 0.00 0.00 55.97 57.16 7i1b s LYS 55 Cb 0.00 -4.23 0.13 0.00 -0.52 0.00 0.00 37.83 33.22 7i1b s LYS 55 CO 0.00 -2.04 0.31 0.42 -0.92 0.00 0.00 175.35 173.13 7i1b s ILE 56 N 7.28 3.46 0.09 2.17 1.01 -1.05 -3.34 121.20 130.82 7i1b s ILE 56 Ca 0.75 -2.52 -0.31 0.00 0.00 0.00 0.00 60.65 58.57 7i1b s ILE 56 Cb -0.19 -3.32 -0.09 0.00 0.01 0.00 0.00 42.46 38.87 7i1b s ILE 56 CO 0.31 -0.78 1.80 -2.84 0.00 0.00 0.00 174.94 173.43 7i1b s PRO 57 N 0.53 4.15 0.36 2.79 0.02 -1.26 -2.38 135.00 139.21 7i1b s PRO 57 Ca 0.13 2.52 0.05 0.00 0.02 0.00 0.00 61.00 63.72 7i1b s PRO 57 Cb -0.22 -3.70 -0.03 0.00 0.02 0.00 0.00 34.50 30.58 7i1b s PRO 57 CO -0.04 -0.84 0.20 0.14 -0.33 0.00 0.00 177.00 176.14 7i1b s VAL 58 N 3.03 0.26 -0.16 3.83 -7.23 -0.53 -2.00 120.40 117.59 7i1b s VAL 58 Ca 0.80 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.97 7i1b s VAL 58 Cb -0.44 -2.43 0.04 0.00 0.56 0.00 0.00 36.38 34.12 7i1b s VAL 58 CO 0.36 0.00 -0.05 0.00 -0.31 0.00 0.00 175.10 175.10 7i1b s ALA 59 N -3.38 1.44 -0.68 1.32 0.00 0.24 -1.14 121.76 119.56 7i1b s ALA 59 Ca 0.33 -0.80 -0.25 0.00 0.00 0.00 0.00 51.96 51.24 7i1b s ALA 59 Cb 0.03 -1.11 0.05 0.00 0.00 0.00 0.00 23.12 22.09 7i1b s ALA 59 CO 0.21 -0.78 1.10 -0.51 0.00 0.00 0.00 175.76 175.79 7i1b s LEU 60 N 1.65 3.81 -0.17 0.00 1.43 -1.26 -1.89 118.68 122.26 7i1b s LEU 60 Ca 0.01 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 7i1b s LEU 60 Cb -0.15 -2.54 0.01 0.00 0.03 0.00 0.00 46.19 43.54 7i1b s LEU 60 CO -0.08 -1.59 -0.17 -0.83 0.23 0.00 0.00 176.35 173.91 7i1b s GLY 61 N 3.61 1.44 -0.18 -3.19 0.00 -1.08 -2.64 107.32 105.28 7i1b s GLY 61 Ca 0.29 -1.12 -0.39 0.00 0.00 0.00 0.00 44.72 43.50 7i1b s GLY 61 CO 0.13 0.13 1.69 1.04 0.00 0.00 0.00 173.10 176.10 7i1b n LEU 62 N 4.30 2.42 -0.10 0.66 4.77 -1.04 0.18 117.00 128.20 7i1b n LEU 62 Ca -0.20 1.07 -0.08 0.00 -0.03 0.00 0.00 56.01 56.77 7i1b n LEU 62 Cb 0.51 -1.19 -0.00 0.00 -2.33 0.00 0.00 43.42 40.41 7i1b n LEU 62 CO 0.28 -0.48 0.98 0.50 -1.33 0.00 0.00 177.39 177.34 7i1b h LYS 63 N 6.99 0.37 0.27 3.23 3.64 -1.82 -3.20 116.57 126.05 7i1b h LYS 63 Ca -0.47 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 7i1b h LYS 63 Cb 1.31 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 7i1b h LYS 63 CO 0.93 0.24 -0.13 0.93 -2.27 0.00 0.00 179.45 179.15 7i1b h GLU 64 N 0.38 -0.34 -5.93 1.90 5.08 -1.88 -3.45 114.58 110.33 7i1b h GLU 64 Ca 0.14 0.02 -0.63 0.00 -1.00 0.00 0.00 59.36 57.89 7i1b h GLU 64 Cb 0.02 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 7i1b h GLU 64 CO -0.08 0.01 -0.52 0.15 -1.00 0.00 0.00 179.01 177.58 7i1b s LYS 65 N -4.01 3.34 -0.04 2.33 1.02 -1.21 -4.97 119.74 116.21 7i1b s LYS 65 Ca -0.13 -0.45 -0.00 0.00 0.02 0.00 0.00 55.97 55.41 7i1b s LYS 65 Cb 0.01 -3.00 0.03 0.00 -0.52 0.00 0.00 37.83 34.36 7i1b s LYS 65 CO 0.48 0.62 1.77 0.27 -0.92 0.00 0.00 175.35 177.57 7i1b n ASN 66 N 0.49 4.89 -4.51 2.83 0.23 -1.26 -3.76 115.26 114.16 7i1b n ASN 66 Ca -0.07 -2.40 -0.42 0.00 -0.53 0.00 0.00 54.58 51.16 7i1b n ASN 66 Cb 0.51 -0.97 -0.08 0.00 -2.08 0.00 0.00 39.78 37.16 7i1b n ASN 66 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 7i1b s LEU 67 N -0.23 4.63 -0.16 -4.53 1.43 -1.26 -2.65 118.68 115.91 7i1b s LEU 67 Ca 0.04 -0.43 -0.09 0.00 -1.03 0.00 0.00 54.13 52.63 7i1b s LEU 67 Cb 0.03 -2.52 -0.05 0.00 0.03 0.00 0.00 46.19 43.69 7i1b s LEU 67 CO 0.00 -0.60 0.14 -0.31 0.23 0.00 0.00 176.35 175.81 7i1b s TYR 68 N 2.37 3.49 0.60 0.29 1.51 -0.80 -2.48 117.35 122.33 7i1b s TYR 68 Ca 0.16 0.42 -0.19 0.00 -1.01 0.00 0.00 57.07 56.45 7i1b s TYR 68 Cb -0.16 -2.07 -0.03 0.00 -0.11 0.00 0.00 41.96 39.59 7i1b s TYR 68 CO 0.15 0.49 1.23 1.28 -1.11 0.00 0.00 175.55 177.59 7i1b n LEU 69 N 2.84 5.30 -3.70 -1.29 4.77 -1.08 -1.59 117.00 122.25 7i1b n LEU 69 Ca -0.18 0.87 -0.11 0.00 -0.03 0.00 0.00 56.01 56.56 7i1b n LEU 69 Cb 0.53 -1.52 -0.11 0.00 -2.33 0.00 0.00 43.42 39.99 7i1b n LEU 69 CO 0.34 -1.08 0.00 -0.94 -1.33 0.00 0.00 177.39 174.39 7i1b s SER 70 N -1.20 -0.43 -0.30 -1.43 1.04 0.20 -4.29 113.70 107.29 7i1b s SER 70 Ca 0.78 0.79 -0.24 0.00 0.48 0.00 0.00 55.95 57.76 7i1b s SER 70 Cb -0.40 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.41 7i1b s SER 70 CO 0.45 -0.19 0.82 0.00 0.98 0.00 0.00 173.24 175.30 7i1b s VAL 72 N 3.02 0.94 0.04 0.00 -7.23 -0.97 -4.80 120.40 111.39 7i1b s VAL 72 Ca 0.34 -2.02 -0.24 0.00 -1.81 0.00 0.00 61.98 58.25 7i1b s VAL 72 Cb -0.14 -2.05 -0.06 0.00 0.56 0.00 0.00 36.38 34.69 7i1b s VAL 72 CO 0.12 -0.56 0.74 -0.76 -0.31 0.00 0.00 175.10 174.33 7i1b s LEU 73 N -3.20 4.45 -0.71 1.32 1.43 -1.26 -1.34 118.68 119.37 7i1b s LEU 73 Ca 0.22 1.41 0.05 0.00 -1.03 0.00 0.00 54.13 54.77 7i1b s LEU 73 Cb 0.05 -3.19 0.17 0.00 0.03 0.00 0.00 46.19 43.25 7i1b s LEU 73 CO 0.03 0.03 0.50 -0.54 0.23 0.00 0.00 176.35 176.61 7i1b s LYS 74 N -0.11 2.50 0.00 1.70 -0.14 0.92 -4.69 119.74 119.92 7i1b s LYS 74 Ca 0.37 -3.34 0.00 0.00 -1.36 0.00 0.00 55.97 51.64 7i1b s LYS 74 Cb -0.20 -3.45 0.00 0.00 -1.68 0.00 0.00 37.83 32.50 7i1b s LYS 74 CO 0.22 -1.28 0.00 -0.25 -0.76 0.00 0.00 175.35 173.28 7i1b n ASP 75 N 2.00 -1.83 -0.11 2.83 8.00 -1.26 -3.51 116.55 122.67 7i1b n ASP 75 Ca 0.19 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.68 7i1b n ASP 75 Cb 0.35 -0.46 -0.01 0.00 -0.02 0.00 0.00 41.12 40.99 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 -0.22 -4.86 -4.13 -2.24 8.00 -1.26 -4.97 116.55 106.87 7i1b n ASP 76 Ca 0.00 0.04 -0.33 0.00 0.71 0.00 0.00 54.79 55.21 7i1b n ASP 76 Cb 0.46 -2.49 -0.16 0.00 -0.02 0.00 0.00 41.12 38.90 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 -1.47 2.97 0.44 -1.24 2.36 -1.23 -5.08 119.74 116.49 7i1b s LYS 77 Ca 0.00 -0.82 -0.24 0.00 -2.55 0.00 0.00 55.97 52.36 7i1b s LYS 77 Cb 0.00 -2.53 -0.10 0.00 -1.05 0.00 0.00 37.83 34.15 7i1b s LYS 77 CO 0.00 -0.18 1.09 -2.30 1.55 0.00 0.00 175.35 175.51 7i1b n PRO 78 N 4.53 1.48 -3.84 4.03 -0.02 -1.26 -0.06 135.00 139.86 7i1b n PRO 78 Ca -0.21 0.53 -0.09 0.00 -2.02 0.00 0.00 63.50 61.72 7i1b n PRO 78 Cb 0.50 -2.16 -0.04 0.00 -0.02 0.00 0.00 33.50 31.78 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 -1.27 0.01 -0.12 3.45 2.01 -0.45 -4.70 115.64 114.57 7i1b s THR 79 Ca 0.64 -1.02 -0.04 0.00 0.31 0.00 0.00 61.69 61.58 7i1b s THR 79 Cb -0.53 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 7i1b s THR 79 CO 0.56 -0.06 0.03 -0.22 -0.69 0.00 0.00 174.62 174.24 7i1b s LEU 80 N -2.93 3.71 0.05 4.42 2.96 -1.26 -2.30 118.68 123.33 7i1b s LEU 80 Ca 0.14 0.14 -0.22 0.00 -0.22 0.00 0.00 54.13 53.97 7i1b s LEU 80 Cb -0.02 -1.89 0.05 0.00 0.50 0.00 0.00 46.19 44.84 7i1b s LEU 80 CO 0.03 0.31 0.51 -1.58 -1.32 0.00 0.00 176.35 174.30 7i1b s GLN 81 N -0.44 1.03 0.26 1.98 2.00 -0.85 -4.82 119.66 118.82 7i1b s GLN 81 Ca 0.09 -0.24 -0.10 0.00 -2.00 0.00 0.00 55.36 53.10 7i1b s GLN 81 Cb -0.12 0.47 -0.07 0.00 0.80 0.00 0.00 33.01 34.09 7i1b s GLN 81 CO 0.02 -0.37 0.59 -0.51 -0.50 0.00 0.00 175.29 174.52 7i1b s LEU 82 N -1.97 4.13 -0.10 3.68 1.43 -1.26 0.59 118.68 125.17 7i1b s LEU 82 Ca -0.05 0.98 -0.04 0.00 -1.03 0.00 0.00 54.13 53.98 7i1b s LEU 82 Cb -0.01 -3.76 0.05 0.00 0.03 0.00 0.00 46.19 42.51 7i1b s LEU 82 CO -0.02 -0.12 0.21 -0.70 0.23 0.00 0.00 176.35 175.95 7i1b s GLU 83 N -2.95 0.11 -0.15 1.70 2.12 -0.62 -4.85 118.70 114.06 7i1b s GLU 83 Ca 0.48 0.61 -0.29 0.00 0.36 0.00 0.00 54.97 56.13 7i1b s GLU 83 Cb -0.11 -0.14 -0.04 0.00 0.26 0.00 0.00 34.13 34.10 7i1b s GLU 83 CO 0.22 -0.26 1.60 0.45 -0.54 0.00 0.00 175.26 176.72 7i1b s SER 84 N 2.05 6.55 0.08 -1.70 0.15 -1.26 -1.91 113.70 117.67 7i1b s SER 84 Ca -0.01 1.88 0.00 0.00 0.70 0.00 0.00 55.95 58.52 7i1b s SER 84 Cb -0.12 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 7i1b s SER 84 CO -0.07 -1.08 0.00 1.33 1.20 0.00 0.00 173.24 174.62 7i1b n VAL 85 N 5.93 0.00 -3.09 4.45 0.24 -1.08 -4.97 118.33 119.81 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 0.44 -1.23 -0.06 0.00 -1.47 0.00 0.00 33.84 31.51 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 6.46 0.00 -1.34 -1.08 -1.26 -4.90 116.67 113.54 7i1b s ASP 86 Ca 0.00 0.23 0.06 0.00 -0.52 0.00 0.00 52.55 52.32 7i1b s ASP 86 Cb 0.00 -2.34 0.30 0.00 -1.46 0.00 0.00 42.92 39.42 7i1b s ASP 86 CO 0.00 -0.60 1.14 -0.81 0.52 0.00 0.00 175.17 175.42 7i1b n PRO 87 N 6.07 0.04 -0.08 4.34 -0.04 -1.26 -1.35 135.00 142.73 7i1b n PRO 87 Ca -0.01 0.32 -0.21 0.00 -0.04 0.00 0.00 63.50 63.56 7i1b n PRO 87 Cb 0.49 -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 -1.40 0.68 -0.08 0.54 4.76 -1.26 -4.64 118.16 116.75 7i1b n LYS 88 Ca 0.02 0.25 -0.15 0.00 -2.87 0.00 0.00 58.31 55.56 7i1b n LYS 88 Cb 0.06 -1.61 -0.10 0.00 -1.84 0.00 0.00 35.03 31.54 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 -0.20 0.00 -3.78 4.39 -0.26 -1.90 -3.47 115.58 110.37 7i1b h ASN 89 Ca -0.51 -0.65 -0.49 0.00 -0.56 0.00 0.00 56.30 54.10 7i1b h ASN 89 Cb 1.86 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 39.10 7i1b h ASN 89 CO -0.07 1.12 0.14 -0.31 -1.06 0.00 0.00 177.43 177.25 7i1b s TYR 90 N -2.21 3.38 0.49 1.19 2.02 -0.45 -4.01 117.35 117.75 7i1b s TYR 90 Ca -0.21 1.25 -0.20 0.00 -0.37 0.00 0.00 57.07 57.55 7i1b s TYR 90 Cb 0.01 -2.57 -0.08 0.00 -0.40 0.00 0.00 41.96 38.92 7i1b s TYR 90 CO 0.55 0.03 1.04 -1.25 -1.57 0.00 0.00 175.55 174.35 7i1b s PRO 91 N -3.15 3.78 0.07 -1.71 0.04 -1.26 -4.55 135.00 128.21 7i1b s PRO 91 Ca 0.55 1.34 -0.02 0.00 0.04 0.00 0.00 61.00 62.91 7i1b s PRO 91 Cb -0.10 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 7i1b s PRO 91 CO 0.19 -0.44 0.02 0.21 0.04 0.00 0.00 177.00 177.01 7i1b s LYS 92 N -3.30 0.69 0.19 4.56 2.20 -1.26 -0.34 119.74 122.48 7i1b s LYS 92 Ca 0.67 -1.21 -0.12 0.00 -0.36 0.00 0.00 55.97 54.95 7i1b s LYS 92 Cb -0.16 0.23 0.12 0.00 -1.51 0.00 0.00 37.83 36.51 7i1b s LYS 92 CO 0.21 -0.15 1.84 -0.22 -0.36 0.00 0.00 175.35 176.67 7i1b h LYS 93 N 3.05 0.74 -5.89 4.03 3.64 -1.93 -3.42 116.57 116.80 7i1b h LYS 93 Ca -0.34 -0.04 -0.63 0.00 -1.27 0.00 0.00 60.65 58.37 7i1b h LYS 93 Cb 1.16 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.76 7i1b h LYS 93 CO 0.64 0.49 -0.39 0.21 -2.27 0.00 0.00 179.45 178.12 7i1b s LYS 94 N -6.14 3.57 0.17 1.90 2.20 -1.26 -2.04 119.74 118.14 7i1b s LYS 94 Ca -0.13 -0.08 -0.10 0.00 -0.36 0.00 0.00 55.97 55.29 7i1b s LYS 94 Cb 0.14 -3.09 -0.00 0.00 -1.51 0.00 0.00 37.83 33.37 7i1b s LYS 94 CO 0.75 0.66 0.33 -1.64 -0.36 0.00 0.00 175.35 175.09 7i1b s MET 95 N -1.73 1.20 0.36 4.03 -1.94 -1.26 -5.00 119.30 114.96 7i1b s MET 95 Ca 0.27 -1.12 -0.25 0.00 -1.71 0.00 0.00 55.69 52.88 7i1b s MET 95 Cb -0.13 0.40 -0.10 0.00 2.01 0.00 0.00 34.83 37.02 7i1b s MET 95 CO 0.16 -0.45 0.99 -1.21 -0.01 0.00 0.00 175.02 174.49 7i1b s GLU 96 N -3.95 4.40 0.60 2.03 2.02 -1.26 -4.86 118.70 117.67 7i1b s GLU 96 Ca 0.16 1.40 0.28 0.00 0.02 0.00 0.00 54.97 56.83 7i1b s GLU 96 Cb 0.02 -2.67 1.23 0.00 0.10 0.00 0.00 34.13 32.82 7i1b s GLU 96 CO -0.00 0.09 1.62 0.87 0.02 0.00 0.00 175.26 177.86 7i1b h LYS 97 N 2.83 0.00 -0.97 1.61 1.79 -1.91 0.59 116.57 120.51 7i1b h LYS 97 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 7i1b h LYS 97 Cb 1.20 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.80 7i1b h LYS 97 CO 0.64 0.00 0.62 0.00 -1.08 0.00 0.00 179.45 179.63 7i1b h ARG 98 N 0.00 1.30 -0.01 3.15 3.08 -1.89 -2.21 114.38 117.80 7i1b h ARG 98 Ca 0.35 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.30 7i1b h ARG 98 Cb 2.01 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 31.77 7i1b h ARG 98 CO -0.00 0.88 -0.47 1.19 -1.07 0.00 0.00 179.97 180.50 7i1b n PHE 99 N -4.37 0.00 -3.41 3.04 3.72 0.20 -2.61 117.46 114.03 7i1b n PHE 99 Ca 0.11 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.13 7i1b n PHE 99 Cb 0.03 -0.12 -0.06 0.00 -0.94 0.00 0.00 39.48 38.39 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 -2.71 5.00 -0.04 -4.37 1.01 -0.83 -4.14 120.40 114.33 7i1b s VAL 100 Ca 0.17 0.94 0.02 0.00 0.00 0.00 0.00 61.98 63.11 7i1b s VAL 100 Cb 0.18 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.80 7i1b s VAL 100 CO 0.63 0.52 -0.07 -0.36 0.00 0.00 0.00 175.10 175.82 7i1b s PHE 101 N -0.69 0.85 -0.40 5.22 0.40 -0.29 -2.22 117.98 120.85 7i1b s PHE 101 Ca 0.25 -0.24 -0.27 0.00 -0.60 0.00 0.00 56.93 56.08 7i1b s PHE 101 Cb -0.17 -0.68 0.02 0.00 0.51 0.00 0.00 43.02 42.71 7i1b s PHE 101 CO 0.14 -0.15 0.98 -0.80 0.70 0.00 0.00 175.22 176.08 7i1b s ASN 102 N 0.57 6.66 -0.56 1.36 -0.87 -0.70 -1.45 114.94 119.95 7i1b s ASN 102 Ca -0.08 0.52 -0.28 0.00 -1.57 0.00 0.00 52.86 51.45 7i1b s ASN 102 Cb -0.12 -2.48 0.03 0.00 -0.02 0.00 0.00 41.25 38.66 7i1b s ASN 102 CO 0.01 -0.97 1.18 -0.54 -2.57 0.00 0.00 177.10 174.21 7i1b s LYS 103 N 3.72 3.56 0.18 -0.60 1.02 -1.00 -2.40 119.74 124.21 7i1b s LYS 103 Ca 0.40 0.31 0.03 0.00 0.02 0.00 0.00 55.97 56.73 7i1b s LYS 103 Cb -0.11 -3.99 -0.03 0.00 -0.52 0.00 0.00 37.83 33.18 7i1b s LYS 103 CO 0.22 -1.61 0.31 0.42 -0.92 0.00 0.00 175.35 173.77 7i1b s ILE 104 N 4.82 5.28 -0.09 2.17 1.01 -0.74 -2.52 121.20 131.14 7i1b s ILE 104 Ca 0.44 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 60.29 7i1b s ILE 104 Cb -0.07 -3.78 0.02 0.00 0.01 0.00 0.00 42.46 38.64 7i1b s ILE 104 CO 0.27 -0.18 -0.10 -1.61 0.00 0.00 0.00 174.94 173.32 7i1b s GLU 105 N -3.51 1.62 -0.29 2.79 2.02 -1.26 -2.06 118.70 118.02 7i1b s GLU 105 Ca 0.34 -0.33 -0.04 0.00 0.02 0.00 0.00 54.97 54.96 7i1b s GLU 105 Cb -0.10 -1.52 0.10 0.00 0.10 0.00 0.00 34.13 32.70 7i1b s GLU 105 CO 0.29 -0.14 0.13 0.42 0.02 0.00 0.00 175.26 175.97 7i1b s ILE 106 N 1.25 0.00 -0.94 -1.63 1.01 0.69 -4.89 121.20 116.70 7i1b s ILE 106 Ca -0.03 -0.79 -0.02 0.00 0.00 0.00 0.00 60.65 59.81 7i1b s ILE 106 Cb -0.14 -1.02 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 7i1b s ILE 106 CO -0.03 -0.71 0.80 -3.20 0.00 0.00 0.00 174.94 171.80 7i1b n ASN 107 N 5.22 -3.76 -0.21 3.58 5.15 -1.26 -1.95 115.26 122.02 7i1b n ASN 107 Ca -0.06 -0.55 -0.03 0.00 -0.60 0.00 0.00 54.58 53.35 7i1b n ASN 107 Cb 0.42 -4.36 -0.01 0.00 -0.53 0.00 0.00 39.78 35.30 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 -2.84 -5.65 -4.68 1.20 4.13 -1.26 -4.95 115.26 101.21 7i1b n ASN 108 Ca -0.16 0.07 -0.31 0.00 1.68 0.00 0.00 54.58 55.86 7i1b n ASN 108 Cb 0.62 -3.40 -0.08 0.00 -1.54 0.00 0.00 39.78 35.38 7i1b n ASN 108 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 7i1b s LYS 109 N -2.07 2.61 0.13 3.52 2.47 -0.82 -4.99 119.74 120.59 7i1b s LYS 109 Ca 0.00 -0.77 0.06 0.00 -1.56 0.00 0.00 55.97 53.70 7i1b s LYS 109 Cb 0.00 -2.57 -0.04 0.00 -1.46 0.00 0.00 37.83 33.76 7i1b s LYS 109 CO 0.00 0.57 0.03 -0.51 0.16 0.00 0.00 175.35 175.60 7i1b s LEU 110 N -2.06 3.50 -0.20 5.43 1.43 -0.94 -0.23 118.68 125.62 7i1b s LEU 110 Ca 0.24 -0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 53.07 7i1b s LEU 110 Cb -0.12 -2.18 0.10 0.00 0.03 0.00 0.00 46.19 44.02 7i1b s LEU 110 CO 0.16 0.12 0.29 -1.61 0.23 0.00 0.00 176.35 175.54 7i1b s GLU 111 N -2.69 0.24 -0.23 1.70 2.02 -0.87 -1.13 118.70 117.74 7i1b s GLU 111 Ca 0.28 0.44 -0.19 0.00 0.02 0.00 0.00 54.97 55.51 7i1b s GLU 111 Cb -0.11 -0.71 -0.03 0.00 0.10 0.00 0.00 34.13 33.39 7i1b s GLU 111 CO 0.20 -0.57 0.56 -0.06 0.02 0.00 0.00 175.26 175.40 7i1b s PHE 112 N 2.43 3.33 -0.13 1.61 0.08 -1.26 -1.79 117.98 122.24 7i1b s PHE 112 Ca 0.08 0.77 -0.05 0.00 0.12 0.00 0.00 56.93 57.85 7i1b s PHE 112 Cb -0.15 -2.74 -0.04 0.00 -0.57 0.00 0.00 43.02 39.53 7i1b s PHE 112 CO -0.13 -0.21 0.04 -2.00 -0.10 0.00 0.00 175.22 172.83 7i1b s GLU 113 N 2.04 3.48 -0.40 0.44 2.12 -1.01 -2.46 118.70 122.91 7i1b s GLU 113 Ca 0.24 -0.35 -0.28 0.00 0.36 0.00 0.00 54.97 54.95 7i1b s GLU 113 Cb -0.16 -3.02 -0.03 0.00 0.26 0.00 0.00 34.13 31.18 7i1b s GLU 113 CO 0.09 0.52 1.96 0.45 -0.54 0.00 0.00 175.26 177.74 7i1b s SER 114 N -0.34 5.48 0.61 -1.70 0.15 -0.14 -1.72 113.70 116.04 7i1b s SER 114 Ca 0.08 1.15 0.20 0.00 0.70 0.00 0.00 55.95 58.07 7i1b s SER 114 Cb -0.12 -2.52 1.07 0.00 -1.71 0.00 0.00 66.02 62.74 7i1b s SER 114 CO 0.02 -2.07 1.58 0.00 1.20 0.00 0.00 173.24 173.97 7i1b h ALA 115 N 14.64 1.48 0.00 5.45 0.00 -1.59 0.03 119.26 139.27 7i1b h ALA 115 Ca -0.32 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 7i1b h ALA 115 Cb 1.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 7i1b h ALA 115 CO 1.08 -0.48 -0.10 0.37 0.00 0.00 0.00 179.25 180.13 7i1b h GLN 116 N 0.00 0.00 -3.90 0.00 -0.00 -1.79 -3.42 115.11 106.00 7i1b h GLN 116 Ca 0.00 0.00 -0.70 0.00 -0.00 0.00 0.00 58.65 57.95 7i1b h GLN 116 Cb 1.00 0.00 -0.35 0.00 0.00 0.00 0.00 27.48 28.13 7i1b h GLN 116 CO 0.00 0.58 -0.43 -0.06 0.00 0.00 0.00 178.83 178.92 7i1b s PHE 117 N -1.98 3.47 0.69 3.99 0.08 -0.01 -5.07 117.98 119.15 7i1b s PHE 117 Ca -0.12 -2.60 -0.17 0.00 0.12 0.00 0.00 56.93 54.16 7i1b s PHE 117 Cb -0.01 -3.21 0.02 0.00 -0.57 0.00 0.00 43.02 39.24 7i1b s PHE 117 CO 0.40 -0.89 1.26 -2.30 -0.10 0.00 0.00 175.22 173.60 7i1b n PRO 118 N 3.88 0.85 0.00 0.24 -0.02 -1.20 -2.25 135.00 136.50 7i1b n PRO 118 Ca 0.04 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 7i1b n PRO 118 Cb 0.39 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 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 -2.27 0.00 -4.41 2.55 3.02 -1.26 -4.99 115.26 107.89 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 0.49 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 -2.58 3.08 0.51 3.10 0.52 -0.95 -4.51 118.94 118.10 7i1b s TRP 120 Ca 0.00 -0.57 0.03 0.00 0.02 0.00 0.00 56.10 55.58 7i1b s TRP 120 Cb 0.00 -2.23 -0.00 0.00 -1.15 0.00 0.00 33.47 30.09 7i1b s TRP 120 CO 0.00 -0.42 0.15 0.71 0.02 0.00 0.00 176.95 177.41 7i1b s TYR 121 N 1.58 1.89 -0.22 -1.98 1.51 -0.75 -0.97 117.35 118.41 7i1b s TYR 121 Ca 0.06 -0.87 -0.25 0.00 -1.01 0.00 0.00 57.07 55.00 7i1b s TYR 121 Cb -0.15 -1.75 -0.01 0.00 -0.11 0.00 0.00 41.96 39.94 7i1b s TYR 121 CO 0.03 0.01 0.85 0.42 -1.11 0.00 0.00 175.55 175.75 7i1b s ILE 122 N -2.81 4.83 0.23 2.71 1.01 -1.03 -1.20 121.20 124.95 7i1b s ILE 122 Ca 0.20 1.64 0.10 0.00 0.00 0.00 0.00 60.65 62.58 7i1b s ILE 122 Cb 0.01 -4.14 -0.05 0.00 0.01 0.00 0.00 42.46 38.29 7i1b s ILE 122 CO 0.11 -0.06 -0.18 -0.44 0.00 0.00 0.00 174.94 174.38 7i1b s SER 123 N 1.27 3.08 0.16 3.58 0.01 -0.27 -4.51 113.70 117.02 7i1b s SER 123 Ca 0.37 -1.00 0.06 0.00 1.31 0.00 0.00 55.95 56.69 7i1b s SER 123 Cb -0.16 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 7i1b s SER 123 CO 0.09 -0.05 -0.13 0.42 0.41 0.00 0.00 173.24 173.97 7i1b s THR 124 N -2.61 1.46 -0.27 1.44 -4.23 -0.54 -2.59 115.64 108.30 7i1b s THR 124 Ca 0.25 -2.01 -0.12 0.00 -1.18 0.00 0.00 61.69 58.63 7i1b s THR 124 Cb -0.03 -1.83 -0.05 0.00 1.34 0.00 0.00 72.50 71.93 7i1b s THR 124 CO 0.11 -0.58 0.24 -0.55 -0.54 0.00 0.00 174.62 173.30 7i1b s SER 125 N -2.99 6.11 0.55 3.99 0.15 -1.26 -2.64 113.70 117.60 7i1b s SER 125 Ca 0.16 0.10 0.39 0.00 0.70 0.00 0.00 55.95 57.31 7i1b s SER 125 Cb -0.01 -2.15 1.58 0.00 -1.71 0.00 0.00 66.02 63.73 7i1b s SER 125 CO 0.04 -0.07 1.76 -0.61 1.20 0.00 0.00 173.24 175.56 7i1b h GLN 126 N 8.17 0.00 -6.31 5.44 4.15 -1.97 -3.42 115.11 121.17 7i1b h GLN 126 Ca -0.35 0.00 -0.50 0.00 0.77 0.00 0.00 58.65 58.58 7i1b h GLN 126 Cb 1.18 0.00 0.24 0.00 0.21 0.00 0.00 27.48 29.11 7i1b h GLN 126 CO 0.59 0.00 -1.79 0.00 -1.93 0.00 0.00 178.83 175.70 7i1b n ALA 127 N -2.79 -4.84 -2.13 3.38 0.00 -1.26 -4.90 120.51 107.97 7i1b n ALA 127 Ca 0.28 -1.13 -0.39 0.00 0.00 0.00 0.00 53.44 52.20 7i1b n ALA 127 Cb 1.37 -1.21 -0.06 0.00 0.00 0.00 0.00 19.45 19.55 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 4.38 -0.43 0.00 2.02 -1.26 -4.49 118.70 116.27 7i1b s GLU 128 Ca 0.46 0.94 -0.31 0.00 0.02 0.00 0.00 54.97 56.08 7i1b s GLU 128 Cb -0.05 -3.25 0.05 0.00 0.10 0.00 0.00 34.13 30.98 7i1b s GLU 128 CO 0.69 0.61 0.62 0.09 0.02 0.00 0.00 175.26 177.29 7i1b n ASN 129 N 1.64 -6.24 -4.00 -0.19 5.03 -1.26 -5.01 115.26 105.25 7i1b n ASN 129 Ca -0.08 0.07 -0.19 0.00 0.87 0.00 0.00 54.58 55.25 7i1b n ASN 129 Cb 0.50 -2.71 -0.15 0.00 -1.02 0.00 0.00 39.78 36.40 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 -2.43 0.82 0.35 3.52 -1.94 -1.26 -5.00 119.30 113.36 7i1b s MET 130 Ca 0.33 -0.29 -0.28 0.00 -1.71 0.00 0.00 55.69 53.74 7i1b s MET 130 Cb -0.05 -0.78 -0.11 0.00 2.01 0.00 0.00 34.83 35.91 7i1b s MET 130 CO 0.82 0.13 1.45 -1.25 -0.01 0.00 0.00 175.02 176.16 7i1b s PRO 131 N 0.07 4.18 0.63 2.03 0.04 -1.26 -2.64 135.00 138.04 7i1b s PRO 131 Ca -0.01 2.48 -0.16 0.00 0.04 0.00 0.00 61.00 63.35 7i1b s PRO 131 Cb -0.07 -3.00 -0.01 0.00 0.04 0.00 0.00 34.50 31.46 7i1b s PRO 131 CO 0.00 -0.46 1.10 0.08 0.04 0.00 0.00 177.00 177.76 7i1b s VAL 132 N -0.95 3.37 0.38 -0.36 1.01 -0.54 -4.74 120.40 118.57 7i1b s VAL 132 Ca 0.53 0.66 -0.15 0.00 0.00 0.00 0.00 61.98 63.02 7i1b s VAL 132 Cb -0.45 -3.18 0.05 0.00 0.00 0.00 0.00 36.38 32.80 7i1b s VAL 132 CO 0.58 -0.37 0.76 0.72 0.00 0.00 0.00 175.10 176.80 7i1b s PHE 133 N -2.31 0.19 -0.21 5.22 -0.71 -1.07 -4.83 117.98 114.25 7i1b s PHE 133 Ca 0.67 -0.83 -0.10 0.00 -1.04 0.00 0.00 56.93 55.63 7i1b s PHE 133 Cb -0.20 0.77 -0.05 0.00 -1.21 0.00 0.00 43.02 42.33 7i1b s PHE 133 CO 0.39 -1.54 0.15 -1.17 -1.34 0.00 0.00 175.22 171.71 7i1b s LEU 134 N -3.08 4.18 0.06 -1.99 2.96 -1.26 -1.12 118.68 118.42 7i1b s LEU 134 Ca 0.17 0.19 0.06 0.00 -0.22 0.00 0.00 54.13 54.33 7i1b s LEU 134 Cb -0.05 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 7i1b s LEU 134 CO 0.12 0.13 -0.16 -0.83 -1.32 0.00 0.00 176.35 174.29 7i1b s GLY 135 N 0.62 0.94 -0.85 7.98 0.00 -0.34 -4.63 107.32 111.04 7i1b s GLY 135 Ca 0.08 -0.98 -0.01 0.00 0.00 0.00 0.00 44.72 43.81 7i1b s GLY 135 CO 0.01 -0.96 1.85 0.61 0.00 0.00 0.00 173.10 174.60 7i1b n GLY 136 N 1.60 5.74 2.68 0.20 0.00 -1.26 -1.81 105.19 112.34 7i1b n GLY 136 Ca -0.19 -2.55 -0.30 0.00 0.00 0.00 0.00 46.02 42.99 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 -4.90 0.70 -0.65 2.61 2.01 -1.26 -4.99 115.64 109.15 7i1b s THR 137 Ca 0.48 -1.36 -0.26 0.00 0.31 0.00 0.00 61.69 60.86 7i1b s THR 137 Cb 0.36 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 7i1b s THR 137 CO -0.31 -0.71 2.03 -0.75 -0.69 0.00 0.00 174.62 174.18 7i1b s LYS 138 N 1.61 2.43 7.96 4.92 2.20 -1.26 -4.66 119.74 132.94 7i1b s LYS 138 Ca 0.10 0.60 0.00 0.00 -0.36 0.00 0.00 55.97 56.32 7i1b s LYS 138 Cb -0.18 -4.58 0.00 0.00 -1.51 0.00 0.00 37.83 31.56 7i1b s LYS 138 CO -0.25 -3.09 0.00 0.41 -0.36 0.00 0.00 175.35 172.06 7i1b n GLY 139 N 6.05 2.68 7.00 5.54 0.00 -1.26 -4.95 105.19 120.25 7i1b n GLY 139 Ca 0.29 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.98 7i1b n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 7i1b n GLY 140 N 0.00 4.08 0.08 -0.02 0.00 -1.26 -2.82 105.19 105.25 7i1b n GLY 140 Ca 0.00 0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 13.48 1.26 -2.36 1.61 0.00 -1.26 -4.97 117.38 125.14 7i1b n GLN 141 Ca 0.00 0.01 -0.37 0.00 -0.00 0.00 0.00 57.00 56.64 7i1b n GLN 141 Cb 0.00 -1.41 -0.02 0.00 0.00 0.00 0.00 30.24 28.81 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 -0.79 1.69 1.11 -1.13 -4.89 116.67 114.04 7i1b s ASP 142 Ca -0.11 2.24 -0.22 0.00 0.18 0.00 0.00 52.55 54.64 7i1b s ASP 142 Cb 0.05 -2.60 0.08 0.00 1.07 0.00 0.00 42.92 41.51 7i1b s ASP 142 CO 0.63 -0.69 1.12 -0.63 1.18 0.00 0.00 175.17 176.78 7i1b s ILE 143 N -1.52 4.26 -0.13 0.77 1.01 -1.08 -4.50 121.20 120.01 7i1b s ILE 143 Ca 0.59 -0.57 0.19 0.00 0.00 0.00 0.00 60.65 60.85 7i1b s ILE 143 Cb -0.27 -4.80 -0.19 0.00 0.01 0.00 0.00 42.46 37.20 7i1b s ILE 143 CO 0.34 -1.60 0.61 0.35 0.00 0.00 0.00 174.94 174.63 7i1b n THR 144 N 6.03 0.95 -0.93 2.92 -2.24 -1.26 -1.46 114.28 118.28 7i1b n THR 144 Ca 0.09 -0.68 -0.30 0.00 -2.27 0.00 0.00 64.05 60.89 7i1b n THR 144 Cb 0.48 -0.50 0.15 0.00 -2.10 0.00 0.00 70.33 68.36 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 -5.43 3.12 0.22 3.42 1.47 -1.26 -4.66 116.67 113.56 7i1b s ASP 145 Ca -0.05 1.82 -0.06 0.00 1.18 0.00 0.00 52.55 55.44 7i1b s ASP 145 Cb 0.09 -2.41 0.02 0.00 -0.34 0.00 0.00 42.92 40.28 7i1b s ASP 145 CO 0.83 -2.91 0.39 0.49 0.68 0.00 0.00 175.17 174.66 7i1b n PHE 146 N -4.09 -1.50 -3.45 2.11 3.72 -0.28 -4.39 117.46 109.58 7i1b n PHE 146 Ca 0.09 -1.20 -0.04 0.00 -0.05 0.00 0.00 57.45 56.24 7i1b n PHE 146 Cb 0.53 0.46 -0.06 0.00 -0.94 0.00 0.00 39.48 39.47 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 -2.55 -0.78 0.40 4.37 -4.23 0.11 -2.21 115.64 110.76 7i1b s THR 147 Ca 0.12 0.03 -0.13 0.00 -1.18 0.00 0.00 61.69 60.53 7i1b s THR 147 Cb -0.02 -0.85 -0.07 0.00 1.34 0.00 0.00 72.50 72.90 7i1b s THR 147 CO 0.09 -0.02 0.80 -0.32 -0.54 0.00 0.00 174.62 174.64 7i1b s MET 148 N 2.70 3.88 -0.20 3.99 1.75 -1.26 -1.88 119.30 128.27 7i1b s MET 148 Ca 0.07 0.62 -0.04 0.00 -1.25 0.00 0.00 55.69 55.08 7i1b s MET 148 Cb -0.14 -2.35 0.08 0.00 2.84 0.00 0.00 34.83 35.26 7i1b s MET 148 CO -0.17 -0.03 0.15 -1.14 -0.65 0.00 0.00 175.02 173.19 7i1b s GLN 149 N -3.65 0.13 0.17 4.11 -0.44 -0.97 -4.97 119.66 114.05 7i1b s GLN 149 Ca 0.54 -0.02 -0.33 0.00 -2.50 0.00 0.00 55.36 53.04 7i1b s GLN 149 Cb -0.10 -1.48 -0.13 0.00 -1.64 0.00 0.00 33.01 29.65 7i1b s GLN 149 CO 0.27 -0.71 1.64 1.19 0.50 0.00 0.00 175.29 178.17 7i1b n PHE 150 N 5.29 2.43 -3.42 1.67 3.01 -1.26 -2.54 117.46 122.65 7i1b n PHE 150 Ca -0.06 0.18 -0.30 0.00 1.01 0.00 0.00 57.45 58.28 7i1b n PHE 150 Cb 0.48 -2.59 -0.04 0.00 -0.01 0.00 0.00 39.48 37.32 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 1.11 5.01 0.00 -4.37 -7.23 -1.08 -4.94 120.40 108.90 7i1b s VAL 151 Ca 0.78 0.21 0.00 0.00 -1.81 0.00 0.00 61.98 61.16 7i1b s VAL 151 Cb -0.62 -3.67 0.00 0.00 0.56 0.00 0.00 36.38 32.65 7i1b s VAL 151 CO 0.36 -0.17 0.00 -0.24 -0.31 0.00 0.00 175.10 174.74 7i1b n SER 152 N -0.48 0.00 0.00 4.85 2.88 -1.26 -4.95 113.62 114.66 7i1b n SER 152 Ca -0.01 -0.91 0.12 0.00 -1.33 0.00 0.00 58.87 56.74 7i1b n SER 152 Cb 0.53 0.00 0.71 0.00 -0.75 0.00 0.00 64.21 64.70 7i1b n SER 152 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61