#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 0.74 -2.74 0.00 -0.04 -1.26 -4.81 135.00 126.89 7i1b n PRO 2 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 7i1b n PRO 2 Cb 0.00 -1.13 0.03 0.00 -0.04 0.00 0.00 33.50 32.36 7i1b n PRO 2 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 7i1b s VAL 3 N 0.32 3.04 -0.21 0.52 -7.23 -1.26 -5.06 120.40 110.53 7i1b s VAL 3 Ca 0.00 -0.62 0.01 0.00 -1.81 0.00 0.00 61.98 59.56 7i1b s VAL 3 Cb 0.00 -3.13 0.04 0.00 0.56 0.00 0.00 36.38 33.84 7i1b s VAL 3 CO 0.00 -0.09 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.43 7i1b s ARG 4 N -4.70 2.40 0.47 4.82 0.52 -1.26 -5.08 118.95 116.13 7i1b s ARG 4 Ca 0.55 -0.96 0.00 0.00 -0.52 0.00 0.00 55.73 54.80 7i1b s ARG 4 Cb -0.10 -2.57 0.00 0.00 0.52 0.00 0.00 34.95 32.80 7i1b s ARG 4 CO 0.38 -0.39 0.69 -1.12 0.02 0.00 0.00 175.30 174.89 7i1b s SER 5 N 1.29 5.71 -0.14 0.23 0.01 -1.26 -2.97 113.70 116.56 7i1b s SER 5 Ca -0.01 0.22 -0.05 0.00 1.31 0.00 0.00 55.95 57.42 7i1b s SER 5 Cb -0.16 -1.39 0.07 0.00 0.21 0.00 0.00 66.02 64.75 7i1b s SER 5 CO -0.09 -0.80 0.30 -0.22 0.41 0.00 0.00 173.24 172.84 7i1b s LEU 6 N -4.60 -0.33 0.20 2.44 1.98 0.17 -4.98 118.68 113.57 7i1b s LEU 6 Ca 0.50 0.69 -0.30 0.00 -2.89 0.00 0.00 54.13 52.13 7i1b s LEU 6 Cb -0.10 0.86 -0.08 0.00 0.66 0.00 0.00 46.19 47.53 7i1b s LEU 6 CO 0.38 -0.23 1.11 0.20 -1.89 0.00 0.00 176.35 175.92 7i1b s ASN 7 N 2.37 7.24 -0.15 3.68 0.02 -1.26 0.39 114.94 127.22 7i1b s ASN 7 Ca -0.00 2.15 -0.32 0.00 -1.02 0.00 0.00 52.86 53.67 7i1b s ASN 7 Cb -0.12 -2.61 0.13 0.00 0.02 0.00 0.00 41.25 38.68 7i1b s ASN 7 CO -0.10 -0.22 1.10 0.00 0.02 0.00 0.00 177.10 177.90 7i1b n THR 9 N 0.14 0.00 -4.20 0.00 -2.24 -0.98 -0.57 114.28 106.43 7i1b n THR 9 Ca -0.04 -1.36 -0.18 0.00 -2.27 0.00 0.00 64.05 60.20 7i1b n THR 9 Cb 0.59 -0.39 -0.12 0.00 -2.10 0.00 0.00 70.33 68.31 7i1b n THR 9 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 7i1b s LEU 10 N 0.00 2.24 -0.11 3.22 1.43 -1.26 -2.45 118.68 121.74 7i1b s LEU 10 Ca 0.28 -0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 52.80 7i1b s LEU 10 Cb -0.02 -0.46 0.06 0.00 0.03 0.00 0.00 46.19 45.79 7i1b s LEU 10 CO 0.18 -0.07 0.23 -0.60 0.23 0.00 0.00 176.35 176.33 7i1b s ARG 11 N -1.49 0.12 0.75 1.70 3.52 -0.60 -3.87 118.95 119.07 7i1b s ARG 11 Ca -0.02 0.68 -0.11 0.00 -0.13 0.00 0.00 55.73 56.15 7i1b s ARG 11 Cb -0.09 -0.11 0.04 0.00 -1.56 0.00 0.00 34.95 33.23 7i1b s ARG 11 CO 0.02 -0.28 1.08 0.16 -0.81 0.00 0.00 175.30 175.46 7i1b s ASP 12 N 2.28 4.83 0.00 -2.12 -4.77 -0.81 -0.94 116.67 115.14 7i1b s ASP 12 Ca 0.01 1.67 0.00 0.00 -3.30 0.00 0.00 52.55 50.93 7i1b s ASP 12 Cb -0.12 -2.45 0.00 0.00 -1.09 0.00 0.00 42.92 39.26 7i1b s ASP 12 CO -0.08 -1.81 0.87 -1.54 0.70 0.00 0.00 175.17 173.32 7i1b n SER 13 N -3.36 0.00 -0.70 2.11 3.41 -1.26 -0.06 113.62 113.76 7i1b n SER 13 Ca 0.08 0.38 0.11 0.00 -0.26 0.00 0.00 58.87 59.18 7i1b n SER 13 Cb 0.54 -0.38 0.33 0.00 -0.26 0.00 0.00 64.21 64.44 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 -1.37 1.92 -1.00 4.33 7.27 -1.26 -4.88 117.38 122.38 7i1b n GLN 14 Ca 0.00 -1.38 0.00 0.00 0.07 0.00 0.00 57.00 55.69 7i1b n GLN 14 Cb 0.08 -1.42 0.00 0.00 2.41 0.00 0.00 30.24 31.31 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 0.61 -0.00 -2.02 3.69 7.27 0.91 -5.02 117.38 122.82 7i1b n GLN 15 Ca 0.17 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.96 7i1b n GLN 15 Cb 0.40 -2.72 0.07 0.00 2.41 0.00 0.00 30.24 30.40 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 2.20 0.10 3.69 1.02 -1.25 -4.85 119.74 120.65 7i1b s LYS 16 Ca 0.00 0.04 0.04 0.00 0.02 0.00 0.00 55.97 56.07 7i1b s LYS 16 Cb 0.00 -2.04 -0.04 0.00 -0.52 0.00 0.00 37.83 35.23 7i1b s LYS 16 CO 0.00 -1.37 -0.10 -1.12 -0.92 0.00 0.00 175.35 171.84 7i1b s SER 17 N -4.52 1.46 0.17 2.83 0.01 -1.07 -1.93 113.70 110.65 7i1b s SER 17 Ca 0.60 -0.82 -0.26 0.00 1.31 0.00 0.00 55.95 56.78 7i1b s SER 17 Cb -0.11 0.01 -0.08 0.00 0.21 0.00 0.00 66.02 66.05 7i1b s SER 17 CO 0.48 -0.27 0.80 -0.76 0.41 0.00 0.00 173.24 173.90 7i1b s LEU 18 N -2.48 4.60 -0.03 2.44 1.43 -1.25 -2.37 118.68 121.03 7i1b s LEU 18 Ca 0.06 1.68 0.02 0.00 -1.03 0.00 0.00 54.13 54.86 7i1b s LEU 18 Cb -0.02 -3.33 0.01 0.00 0.03 0.00 0.00 46.19 42.87 7i1b s LEU 18 CO -0.00 0.20 -0.07 0.68 0.23 0.00 0.00 176.35 177.39 7i1b s VAL 19 N -1.15 0.63 -0.91 -1.59 -7.23 0.18 -2.75 120.40 107.59 7i1b s VAL 19 Ca 0.36 -0.26 -0.24 0.00 -1.81 0.00 0.00 61.98 60.03 7i1b s VAL 19 Cb -0.23 -0.58 -0.03 0.00 0.56 0.00 0.00 36.38 36.09 7i1b s VAL 19 CO 0.27 0.21 1.87 -0.32 -0.31 0.00 0.00 175.10 176.82 7i1b s MET 20 N 0.31 2.71 -0.05 4.82 1.75 -1.26 -0.27 119.30 127.31 7i1b s MET 20 Ca -0.04 -0.39 -0.09 0.00 -1.25 0.00 0.00 55.69 53.91 7i1b s MET 20 Cb -0.09 -5.09 -0.05 0.00 2.84 0.00 0.00 34.83 32.44 7i1b s MET 20 CO 0.00 -3.19 0.41 1.03 -0.65 0.00 0.00 175.02 172.62 7i1b h SER 21 N 11.15 -0.29 -6.15 1.11 0.87 -1.81 -3.47 113.55 114.97 7i1b h SER 21 Ca 0.10 0.01 -0.48 0.00 -1.23 0.00 0.00 61.79 60.20 7i1b h SER 21 Cb 1.01 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 7i1b h SER 21 CO 1.24 0.14 -0.13 0.61 -0.53 0.00 0.00 176.83 178.16 7i1b n GLY 22 N 0.89 2.23 0.46 5.77 0.00 -0.88 -5.00 105.19 108.66 7i1b n GLY 22 Ca -0.04 -2.24 -0.18 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.81 1.61 0.11 -2.02 -3.21 132.00 126.60 7i1b h PRO 23 Ca -0.27 0.07 -0.54 0.00 0.11 0.00 0.00 66.00 65.37 7i1b h PRO 23 Cb 1.16 0.25 -0.30 0.00 0.11 0.00 0.00 31.00 32.21 7i1b h PRO 23 CO 0.41 -0.72 0.16 0.66 -0.21 0.00 0.00 178.00 178.30 7i1b n TYR 24 N -5.18 2.70 -3.78 0.65 4.01 -1.26 -4.95 117.16 109.34 7i1b n TYR 24 Ca -0.14 -2.43 -0.13 0.00 -0.16 0.00 0.00 57.90 55.05 7i1b n TYR 24 Cb 0.46 -0.90 -0.13 0.00 -0.31 0.00 0.00 39.34 38.46 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 -3.61 0.17 0.27 -0.72 2.02 -1.21 -4.39 118.70 111.23 7i1b s GLU 25 Ca 0.56 0.33 0.10 0.00 0.02 0.00 0.00 54.97 55.98 7i1b s GLU 25 Cb 0.46 -0.02 -0.05 0.00 0.10 0.00 0.00 34.13 34.63 7i1b s GLU 25 CO 0.02 -0.09 -0.06 -0.51 0.02 0.00 0.00 175.26 174.64 7i1b s LEU 26 N 0.59 3.01 0.01 1.80 1.02 -1.26 -2.06 118.68 121.79 7i1b s LEU 26 Ca -0.04 -0.76 0.00 0.00 0.02 0.00 0.00 54.13 53.35 7i1b s LEU 26 Cb -0.06 -1.53 -0.01 0.00 0.02 0.00 0.00 46.19 44.62 7i1b s LEU 26 CO -0.03 0.01 -0.02 -0.54 0.02 0.00 0.00 176.35 175.79 7i1b s LYS 27 N -3.63 0.19 -0.38 1.70 1.02 0.63 -2.48 119.74 116.79 7i1b s LYS 27 Ca 0.31 -0.24 -0.11 0.00 0.02 0.00 0.00 55.97 55.95 7i1b s LYS 27 Cb -0.06 -0.06 0.03 0.00 -0.52 0.00 0.00 37.83 37.22 7i1b s LYS 27 CO 0.18 0.01 0.21 0.00 -0.92 0.00 0.00 175.35 174.83 7i1b s ALA 28 N -0.49 3.27 0.33 5.17 0.00 -1.11 0.50 121.76 129.43 7i1b s ALA 28 Ca -0.04 -1.74 -0.01 0.00 0.00 0.00 0.00 51.96 50.17 7i1b s ALA 28 Cb -0.04 -2.59 -0.01 0.00 0.00 0.00 0.00 23.12 20.49 7i1b s ALA 28 CO -0.00 -1.40 0.43 -0.48 0.00 0.00 0.00 175.76 174.30 7i1b s LEU 29 N 1.54 1.13 -0.39 0.00 0.05 -1.00 -3.89 118.68 116.13 7i1b s LEU 29 Ca 0.02 -1.52 -0.29 0.00 0.05 0.00 0.00 54.13 52.39 7i1b s LEU 29 Cb -0.19 1.27 0.01 0.00 -2.05 0.00 0.00 46.19 45.22 7i1b s LEU 29 CO 0.06 -1.23 1.41 -1.00 -0.55 0.00 0.00 176.35 175.04 7i1b s HIS 30 N -3.19 2.43 -0.31 3.48 3.76 -1.26 -2.61 115.29 117.57 7i1b s HIS 30 Ca 0.32 0.70 -0.17 0.00 -0.15 0.00 0.00 55.06 55.76 7i1b s HIS 30 Cb 0.00 -4.24 -0.02 0.00 1.11 0.00 0.00 32.58 29.44 7i1b s HIS 30 CO 0.21 -1.98 0.49 -1.17 -0.85 0.00 0.00 174.74 171.44 7i1b s LEU 31 N 5.28 4.22 -0.06 0.89 2.96 -1.26 -5.02 118.68 125.69 7i1b s LEU 31 Ca 0.61 0.16 -0.21 0.00 -0.22 0.00 0.00 54.13 54.47 7i1b s LEU 31 Cb -0.14 -2.57 0.04 0.00 0.50 0.00 0.00 46.19 44.02 7i1b s LEU 31 CO 0.31 -0.38 0.47 -1.58 -1.32 0.00 0.00 176.35 173.85 7i1b s GLN 32 N 2.31 0.78 0.59 1.98 0.74 -1.26 -4.91 119.66 119.89 7i1b s GLN 32 Ca 0.18 0.14 0.00 0.00 0.05 0.00 0.00 55.36 55.74 7i1b s GLN 32 Cb -0.16 0.36 0.00 0.00 1.10 0.00 0.00 33.01 34.31 7i1b s GLN 32 CO 0.12 -0.21 0.00 0.41 -0.55 0.00 0.00 175.29 175.06 7i1b n GLY 33 N 1.48 -2.21 0.36 2.59 0.00 -1.26 -3.74 105.19 102.41 7i1b n GLY 33 Ca -0.19 -1.56 0.10 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 1.08 -2.05 0.77 115.11 116.52 7i1b h GLN 34 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 7i1b h GLN 34 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 7i1b h GLN 34 CO 0.00 0.00 0.00 -3.47 -0.95 0.00 0.00 178.83 174.41 7i1b n ASP 35 N -2.80 0.00 0.25 1.46 -0.08 -1.25 -3.11 116.55 111.03 7i1b n ASP 35 Ca 0.02 -0.20 -0.14 0.00 -1.51 0.00 0.00 54.79 52.96 7i1b n ASP 35 Cb 0.82 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 44.21 7i1b n ASP 35 CO 0.00 0.00 0.00 -0.03 0.12 0.00 0.00 177.20 177.29 7i1b h MET 36 N 0.00 -0.63 0.00 -0.67 4.05 0.35 -2.87 114.93 115.15 7i1b h MET 36 Ca 0.00 0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 7i1b h MET 36 Cb 0.00 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 7i1b h MET 36 CO 0.00 -0.33 0.47 -0.85 0.23 0.00 0.00 176.91 176.43 7i1b n GLU 37 N -5.27 0.04 -0.41 0.39 -0.00 -1.18 0.32 120.64 114.53 7i1b n GLU 37 Ca -0.11 0.41 -0.04 0.00 -0.00 0.00 0.00 57.16 57.42 7i1b n GLU 37 Cb 0.31 -2.09 0.10 0.00 -0.00 0.00 0.00 31.44 29.77 7i1b n GLU 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 7i1b n GLN 38 N -1.68 1.86 -3.15 3.44 3.00 -1.09 -4.85 117.38 114.92 7i1b n GLN 38 Ca -0.00 -1.14 -0.39 0.00 -0.01 0.00 0.00 57.00 55.46 7i1b n GLN 38 Cb 0.48 -1.58 -0.05 0.00 0.00 0.00 0.00 30.24 29.09 7i1b n GLN 38 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 7i1b s GLN 39 N -1.40 4.40 0.63 -1.09 0.74 0.15 -4.15 119.66 118.94 7i1b s GLN 39 Ca 0.21 0.72 -0.11 0.00 0.05 0.00 0.00 55.36 56.22 7i1b s GLN 39 Cb 0.17 -3.44 -0.03 0.00 1.10 0.00 0.00 33.01 30.81 7i1b s GLN 39 CO 0.05 0.11 1.03 0.08 -0.55 0.00 0.00 175.29 176.01 7i1b s VAL 40 N 0.71 4.52 -0.27 1.34 1.01 -1.11 -4.96 120.40 121.64 7i1b s VAL 40 Ca 0.33 0.85 -0.04 0.00 0.00 0.00 0.00 61.98 63.13 7i1b s VAL 40 Cb -0.17 -3.74 0.10 0.00 0.00 0.00 0.00 36.38 32.57 7i1b s VAL 40 CO 0.15 -1.04 0.14 -0.69 0.00 0.00 0.00 175.10 173.66 7i1b s VAL 41 N -3.09 -0.10 0.47 2.92 1.01 -1.26 -4.63 120.40 115.71 7i1b s VAL 41 Ca 0.56 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.79 7i1b s VAL 41 Cb -0.12 -0.92 -0.06 0.00 0.00 0.00 0.00 36.38 35.29 7i1b s VAL 41 CO 0.52 -0.64 0.84 -0.36 0.00 0.00 0.00 175.10 175.46 7i1b s PHE 42 N 2.13 3.51 -0.49 5.22 0.40 0.26 -3.00 117.98 126.01 7i1b s PHE 42 Ca 0.08 1.08 -0.07 0.00 -0.60 0.00 0.00 56.93 57.42 7i1b s PHE 42 Cb -0.16 -2.49 0.13 0.00 0.51 0.00 0.00 43.02 41.01 7i1b s PHE 42 CO -0.32 -0.26 0.34 0.45 0.70 0.00 0.00 175.22 176.12 7i1b s SER 43 N -3.50 5.55 0.34 1.36 0.15 0.16 -0.76 113.70 116.99 7i1b s SER 43 Ca 0.52 -2.12 -0.29 0.00 0.70 0.00 0.00 55.95 54.76 7i1b s SER 43 Cb -0.10 -1.94 -0.10 0.00 -1.71 0.00 0.00 66.02 62.16 7i1b s SER 43 CO 0.37 -0.60 1.38 -0.32 1.20 0.00 0.00 173.24 175.27 7i1b s MET 44 N 1.04 4.27 -0.17 5.44 1.75 0.16 -2.62 119.30 129.17 7i1b s MET 44 Ca 0.09 2.34 -0.00 0.00 -1.25 0.00 0.00 55.69 56.86 7i1b s MET 44 Cb -0.24 -3.04 0.04 0.00 2.84 0.00 0.00 34.83 34.43 7i1b s MET 44 CO -0.03 -0.32 -0.08 -1.12 -0.65 0.00 0.00 175.02 172.83 7i1b s SER 45 N -0.30 2.95 -0.58 1.11 0.01 -0.39 0.46 113.70 116.96 7i1b s SER 45 Ca 0.51 -0.70 -0.28 0.00 1.31 0.00 0.00 55.95 56.80 7i1b s SER 45 Cb -0.42 -1.02 0.02 0.00 0.21 0.00 0.00 66.02 64.81 7i1b s SER 45 CO 0.55 -0.16 1.31 -0.36 0.41 0.00 0.00 173.24 174.99 7i1b s PHE 46 N 1.56 2.43 0.46 2.43 0.08 -1.16 -0.82 117.98 122.96 7i1b s PHE 46 Ca 0.01 0.41 0.06 0.00 0.12 0.00 0.00 56.93 57.52 7i1b s PHE 46 Cb -0.15 -4.47 0.06 0.00 -0.57 0.00 0.00 43.02 37.89 7i1b s PHE 46 CO -0.08 -1.81 0.49 1.33 -0.10 0.00 0.00 175.22 175.05 7i1b n VAL 47 N 6.74 0.00 -3.74 -0.44 0.24 -1.06 -4.45 118.33 115.62 7i1b n VAL 47 Ca 0.10 -1.70 -0.36 0.00 -2.04 0.00 0.00 64.34 60.34 7i1b n VAL 47 Cb 0.49 -0.35 -0.07 0.00 -1.47 0.00 0.00 33.84 32.45 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 3.89 0.00 7.34 0.74 0.19 -4.71 119.66 123.10 7i1b s GLN 48 Ca 0.37 -0.09 0.00 0.00 0.05 0.00 0.00 55.36 55.70 7i1b s GLN 48 Cb -0.03 -3.32 0.00 0.00 1.10 0.00 0.00 33.01 30.76 7i1b s GLN 48 CO 0.24 0.51 0.00 0.41 -0.55 0.00 0.00 175.29 175.89 7i1b n GLY 49 N 2.77 1.22 3.52 2.59 0.00 -1.26 -4.52 105.19 109.52 7i1b n GLY 49 Ca -0.17 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 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 0.19 -2.40 1.61 -0.58 -1.26 -4.79 120.64 113.41 7i1b n GLU 50 Ca 0.00 -1.31 -0.43 0.00 -0.42 0.00 0.00 57.16 55.00 7i1b n GLU 50 Cb 0.00 -3.54 0.00 0.00 -0.57 0.00 0.00 31.44 27.33 7i1b n GLU 50 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 7i1b n GLU 51 N 7.88 3.13 0.00 3.49 2.13 -1.26 -4.72 120.64 131.29 7i1b n GLU 51 Ca 0.39 -3.14 0.00 0.00 0.66 0.00 0.00 57.16 55.08 7i1b n GLU 51 Cb 0.45 -3.44 0.00 0.00 0.27 0.00 0.00 31.44 28.72 7i1b n GLU 51 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 7i1b n SER 52 N 7.82 0.00 -0.09 4.31 2.88 -1.22 -4.94 113.62 122.37 7i1b n SER 52 Ca 0.49 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.91 7i1b n SER 52 Cb 0.44 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.84 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 1.83 -0.17 -3.46 4.05 -1.26 -4.63 115.26 111.62 7i1b n ASN 53 Ca 0.00 0.54 0.03 0.00 0.45 0.00 0.00 54.58 55.60 7i1b n ASN 53 Cb 0.00 -0.91 0.00 0.00 1.23 0.00 0.00 39.78 40.10 7i1b n ASN 53 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 7i1b n ASP 54 N -4.53 1.09 -4.60 1.20 9.92 -1.26 -4.95 116.55 113.43 7i1b n ASP 54 Ca -0.19 -1.05 -0.43 0.00 -0.53 0.00 0.00 54.79 52.59 7i1b n ASP 54 Cb 0.46 0.38 -0.02 0.00 -0.64 0.00 0.00 41.12 41.30 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 -0.97 3.71 -0.52 -1.24 1.02 -1.26 -4.23 119.74 116.25 7i1b s LYS 55 Ca 0.06 0.53 -0.02 0.00 0.02 0.00 0.00 55.97 56.56 7i1b s LYS 55 Cb 0.05 -3.91 0.14 0.00 -0.52 0.00 0.00 37.83 33.59 7i1b s LYS 55 CO 0.15 -1.35 0.31 0.42 -0.92 0.00 0.00 175.35 173.96 7i1b s ILE 56 N 4.35 3.38 0.10 2.17 1.01 -1.04 -3.43 121.20 127.74 7i1b s ILE 56 Ca 0.47 -2.61 -0.31 0.00 0.00 0.00 0.00 60.65 58.20 7i1b s ILE 56 Cb -0.08 -3.27 -0.10 0.00 0.01 0.00 0.00 42.46 39.03 7i1b s ILE 56 CO 0.31 -0.78 1.81 -2.84 0.00 0.00 0.00 174.94 173.43 7i1b s PRO 57 N 0.44 4.15 0.00 2.79 0.02 -1.26 -1.86 135.00 139.28 7i1b s PRO 57 Ca 0.13 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.70 7i1b s PRO 57 Cb -0.22 -3.65 0.00 0.00 0.02 0.00 0.00 34.50 30.65 7i1b s PRO 57 CO -0.04 -0.83 0.00 1.33 -0.33 0.00 0.00 177.00 177.13 7i1b n VAL 58 N 4.82 0.00 -3.62 3.83 0.24 -1.00 -2.56 118.33 120.04 7i1b n VAL 58 Ca 0.18 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.32 7i1b n VAL 58 Cb 0.39 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.62 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 -0.34 -0.46 2.33 0.00 -0.00 -1.91 121.76 119.38 7i1b s ALA 59 Ca 0.00 0.63 -0.22 0.00 0.00 0.00 0.00 51.96 52.36 7i1b s ALA 59 Cb 0.00 -1.03 0.03 0.00 0.00 0.00 0.00 23.12 22.12 7i1b s ALA 59 CO 0.00 -0.76 0.74 -0.51 0.00 0.00 0.00 175.76 175.23 7i1b s LEU 60 N 2.35 4.39 -0.07 0.00 1.43 -1.26 -1.26 118.68 124.25 7i1b s LEU 60 Ca 0.03 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 52.88 7i1b s LEU 60 Cb -0.13 -2.82 0.01 0.00 0.03 0.00 0.00 46.19 43.27 7i1b s LEU 60 CO -0.08 -0.90 -0.16 -0.83 0.23 0.00 0.00 176.35 174.60 7i1b s GLY 61 N 2.20 0.98 -0.10 -3.19 0.00 -1.08 -2.67 107.32 103.47 7i1b s GLY 61 Ca 0.26 -0.62 -0.36 0.00 0.00 0.00 0.00 44.72 44.00 7i1b s GLY 61 CO 0.20 -0.07 1.75 1.04 0.00 0.00 0.00 173.10 176.02 7i1b n LEU 62 N 3.65 2.92 -0.37 0.66 4.77 -0.18 0.35 117.00 128.81 7i1b n LEU 62 Ca -0.21 1.03 0.03 0.00 -0.03 0.00 0.00 56.01 56.83 7i1b n LEU 62 Cb 0.52 -1.29 0.18 0.00 -2.33 0.00 0.00 43.42 40.50 7i1b n LEU 62 CO 0.26 -0.29 1.26 0.50 -1.33 0.00 0.00 177.39 177.80 7i1b h LYS 63 N 7.76 1.12 0.32 3.23 3.64 -1.82 -3.03 116.57 127.80 7i1b h LYS 63 Ca -0.47 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 58.82 7i1b h LYS 63 Cb 1.29 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 7i1b h LYS 63 CO 0.93 0.74 -0.15 0.93 -2.27 0.00 0.00 179.45 179.63 7i1b h GLU 64 N 1.16 -0.41 -6.29 1.90 4.39 -1.88 -3.45 114.58 109.99 7i1b h GLU 64 Ca 0.44 0.03 -0.59 0.00 0.34 0.00 0.00 59.36 59.57 7i1b h GLU 64 Cb 0.19 0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 28.83 7i1b h GLU 64 CO -0.18 -0.08 -0.63 0.15 -1.16 0.00 0.00 179.01 177.11 7i1b s LYS 65 N -4.25 2.54 0.00 2.33 1.02 -1.14 -4.99 119.74 115.25 7i1b s LYS 65 Ca -0.13 -1.05 -0.02 0.00 0.02 0.00 0.00 55.97 54.79 7i1b s LYS 65 Cb 0.02 -2.43 -0.08 0.00 -0.52 0.00 0.00 37.83 34.81 7i1b s LYS 65 CO 0.49 0.46 2.17 0.27 -0.92 0.00 0.00 175.35 177.82 7i1b n ASN 66 N -0.20 4.45 -4.70 2.83 0.23 -1.26 -3.77 115.26 112.85 7i1b n ASN 66 Ca -0.09 -2.23 -0.38 0.00 -0.53 0.00 0.00 54.58 51.35 7i1b n ASN 66 Cb 0.55 -1.03 -0.07 0.00 -2.08 0.00 0.00 39.78 37.15 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 0.00 4.21 -0.12 -4.53 1.43 -1.26 -2.62 118.68 115.78 7i1b s LEU 67 Ca 0.19 0.70 0.03 0.00 -1.03 0.00 0.00 54.13 54.02 7i1b s LEU 67 Cb 0.09 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.68 7i1b s LEU 67 CO 0.00 -0.06 -0.22 -0.31 0.23 0.00 0.00 176.35 175.99 7i1b s TYR 68 N 1.03 2.64 0.61 0.29 1.51 -0.96 -1.02 117.35 121.45 7i1b s TYR 68 Ca 0.23 -1.17 -0.19 0.00 -1.01 0.00 0.00 57.07 54.94 7i1b s TYR 68 Cb -0.15 -1.78 -0.04 0.00 -0.11 0.00 0.00 41.96 39.88 7i1b s TYR 68 CO 0.09 -0.51 1.05 1.28 -1.11 0.00 0.00 175.55 176.36 7i1b n LEU 69 N 3.82 4.27 -3.84 -1.29 4.32 -1.09 -2.57 117.00 120.62 7i1b n LEU 69 Ca -0.19 0.82 -0.10 0.00 -0.02 0.00 0.00 56.01 56.52 7i1b n LEU 69 Cb 0.52 -1.43 -0.08 0.00 -1.62 0.00 0.00 43.42 40.81 7i1b n LEU 69 CO 0.28 -1.61 -0.08 -0.94 -1.22 0.00 0.00 177.39 173.81 7i1b s SER 70 N -1.25 0.07 -0.16 -1.43 1.04 0.59 -4.54 113.70 108.00 7i1b s SER 70 Ca 0.77 -0.52 -0.01 0.00 0.48 0.00 0.00 55.95 56.66 7i1b s SER 70 Cb -0.41 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.03 7i1b s SER 70 CO 0.46 -0.67 -0.10 0.00 0.98 0.00 0.00 173.24 173.90 7i1b s VAL 72 N 0.79 0.15 0.05 0.00 -7.23 -1.02 -4.87 120.40 108.27 7i1b s VAL 72 Ca -0.04 -1.21 -0.24 0.00 -1.81 0.00 0.00 61.98 58.68 7i1b s VAL 72 Cb -0.15 -1.14 -0.06 0.00 0.56 0.00 0.00 36.38 35.59 7i1b s VAL 72 CO 0.01 -0.67 0.72 -0.76 -0.31 0.00 0.00 175.10 174.09 7i1b s LEU 73 N -2.48 4.46 -0.65 1.32 1.43 -1.26 -1.26 118.68 120.24 7i1b s LEU 73 Ca 0.00 1.40 0.05 0.00 -1.03 0.00 0.00 54.13 54.55 7i1b s LEU 73 Cb 0.02 -3.16 0.17 0.00 0.03 0.00 0.00 46.19 43.25 7i1b s LEU 73 CO -0.07 0.07 0.46 -0.54 0.23 0.00 0.00 176.35 176.49 7i1b s LYS 74 N -0.26 2.16 0.00 1.70 1.02 0.22 -4.72 119.74 119.85 7i1b s LYS 74 Ca 0.36 -3.10 0.00 0.00 0.02 0.00 0.00 55.97 53.25 7i1b s LYS 74 Cb -0.20 -3.04 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 7i1b s LYS 74 CO 0.22 -1.30 0.00 -0.25 -0.92 0.00 0.00 175.35 173.10 7i1b n ASP 75 N 2.16 -1.50 -0.15 2.83 8.00 -1.26 -3.71 116.55 122.91 7i1b n ASP 75 Ca 0.21 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.69 7i1b n ASP 75 Cb 0.37 -0.37 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 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 -0.18 -4.91 -4.07 -2.24 8.00 -1.26 -4.96 116.55 106.92 7i1b n ASP 76 Ca 0.00 0.05 -0.32 0.00 0.71 0.00 0.00 54.79 55.23 7i1b n ASP 76 Cb 0.37 -2.59 -0.15 0.00 -0.02 0.00 0.00 41.12 38.73 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 -1.58 2.40 0.53 -1.24 2.20 -1.24 -5.08 119.74 115.72 7i1b s LYS 77 Ca 0.00 -1.15 -0.21 0.00 -0.36 0.00 0.00 55.97 54.24 7i1b s LYS 77 Cb 0.00 -2.75 -0.07 0.00 -1.51 0.00 0.00 37.83 33.50 7i1b s LYS 77 CO 0.00 -0.46 1.06 -2.30 -0.36 0.00 0.00 175.35 173.29 7i1b n PRO 78 N 4.51 1.24 -3.84 4.03 -0.02 -1.26 -0.61 135.00 139.05 7i1b n PRO 78 Ca -0.16 0.46 -0.09 0.00 -2.02 0.00 0.00 63.50 61.69 7i1b n PRO 78 Cb 0.45 -2.21 -0.04 0.00 -0.02 0.00 0.00 33.50 31.68 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 -1.39 0.02 -0.08 3.45 2.01 -0.39 -4.71 115.64 114.55 7i1b s THR 79 Ca 0.70 -1.01 -0.03 0.00 0.31 0.00 0.00 61.69 61.66 7i1b s THR 79 Cb -0.46 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 7i1b s THR 79 CO 0.51 -0.07 0.07 -0.22 -0.69 0.00 0.00 174.62 174.22 7i1b s LEU 80 N -2.92 3.94 0.07 4.42 2.96 -1.26 -2.43 118.68 123.45 7i1b s LEU 80 Ca 0.13 0.26 -0.20 0.00 -0.22 0.00 0.00 54.13 54.11 7i1b s LEU 80 Cb -0.02 -2.00 0.05 0.00 0.50 0.00 0.00 46.19 44.72 7i1b s LEU 80 CO 0.02 0.37 0.48 -1.58 -1.32 0.00 0.00 176.35 174.32 7i1b s GLN 81 N -1.11 1.03 -0.15 1.98 0.74 -0.61 -4.82 119.66 116.72 7i1b s GLN 81 Ca 0.16 -0.37 -0.12 0.00 0.05 0.00 0.00 55.36 55.08 7i1b s GLN 81 Cb -0.12 0.47 -0.05 0.00 1.10 0.00 0.00 33.01 34.41 7i1b s GLN 81 CO 0.05 -0.38 0.24 -0.51 -0.55 0.00 0.00 175.29 174.14 7i1b s LEU 82 N -2.19 4.27 -0.05 3.68 1.43 -1.26 -0.30 118.68 124.27 7i1b s LEU 82 Ca -0.03 0.47 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 7i1b s LEU 82 Cb -0.00 -2.27 0.02 0.00 0.03 0.00 0.00 46.19 43.97 7i1b s LEU 82 CO -0.05 0.18 -0.03 -0.70 0.23 0.00 0.00 176.35 175.99 7i1b s GLU 83 N 0.11 0.71 -0.08 1.70 2.12 -1.06 -4.96 118.70 117.24 7i1b s GLU 83 Ca 0.15 -0.05 -0.30 0.00 0.36 0.00 0.00 54.97 55.13 7i1b s GLU 83 Cb -0.13 -0.80 -0.04 0.00 0.26 0.00 0.00 34.13 33.43 7i1b s GLU 83 CO 0.03 -0.12 1.35 0.45 -0.54 0.00 0.00 175.26 176.43 7i1b s SER 84 N 1.08 6.90 0.02 -1.70 0.15 -1.26 -2.26 113.70 116.62 7i1b s SER 84 Ca -0.09 1.92 0.00 0.00 0.70 0.00 0.00 55.95 58.48 7i1b s SER 84 Cb -0.14 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 7i1b s SER 84 CO -0.01 -0.74 0.00 1.33 1.20 0.00 0.00 173.24 175.02 7i1b n VAL 85 N 5.02 0.00 -3.07 4.45 0.24 -1.08 -4.97 118.33 118.92 7i1b n VAL 85 Ca 0.14 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.01 7i1b n VAL 85 Cb 0.44 -1.22 -0.06 0.00 -1.47 0.00 0.00 33.84 31.53 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 6.42 0.00 -1.34 -1.08 -1.26 -4.90 116.67 113.51 7i1b s ASP 86 Ca 0.00 0.04 0.09 0.00 -0.52 0.00 0.00 52.55 52.15 7i1b s ASP 86 Cb 0.00 -2.34 0.40 0.00 -1.46 0.00 0.00 42.92 39.52 7i1b s ASP 86 CO 0.00 -0.69 1.20 -0.81 0.52 0.00 0.00 175.17 175.38 7i1b n PRO 87 N 6.23 0.07 -0.11 4.34 -0.04 -1.26 -1.10 135.00 143.13 7i1b n PRO 87 Ca -0.00 0.27 -0.21 0.00 -0.04 0.00 0.00 63.50 63.51 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 -1.37 0.65 0.15 0.54 5.02 -1.26 -4.44 118.16 117.45 7i1b n LYS 88 Ca 0.03 0.21 0.09 0.00 -2.02 0.00 0.00 58.31 56.62 7i1b n LYS 88 Cb 0.08 -1.55 0.07 0.00 -0.02 0.00 0.00 35.03 33.61 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 -0.23 0.00 -3.45 4.39 4.21 -1.92 -3.46 115.58 115.12 7i1b h ASN 89 Ca -0.57 0.00 -0.66 0.00 1.21 0.00 0.00 56.30 56.28 7i1b h ASN 89 Cb 1.84 0.00 -0.15 0.00 -1.12 0.00 0.00 38.32 38.89 7i1b h ASN 89 CO -0.14 0.12 -0.72 -0.31 -1.29 0.00 0.00 177.43 175.10 7i1b s TYR 90 N -3.20 2.77 0.79 1.19 2.02 -0.26 -4.15 117.35 116.50 7i1b s TYR 90 Ca 0.03 -0.15 -0.11 0.00 -0.37 0.00 0.00 57.07 56.47 7i1b s TYR 90 Cb 0.07 -1.43 0.06 0.00 -0.40 0.00 0.00 41.96 40.27 7i1b s TYR 90 CO 0.73 0.45 1.09 -1.25 -1.57 0.00 0.00 175.55 175.00 7i1b s PRO 91 N -2.32 2.17 0.11 -1.71 0.04 -1.26 -4.61 135.00 127.40 7i1b s PRO 91 Ca 0.23 0.69 -0.04 0.00 0.04 0.00 0.00 61.00 61.91 7i1b s PRO 91 Cb -0.11 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 7i1b s PRO 91 CO 0.15 -1.57 0.09 0.21 0.04 0.00 0.00 177.00 175.92 7i1b s LYS 92 N -5.14 0.86 0.59 4.56 2.20 -1.26 -4.93 119.74 116.63 7i1b s LYS 92 Ca 0.60 -1.25 0.33 0.00 -0.36 0.00 0.00 55.97 55.30 7i1b s LYS 92 Cb -0.14 0.27 1.89 0.00 -1.51 0.00 0.00 37.83 38.34 7i1b s LYS 92 CO 0.54 -0.25 2.24 1.57 -0.36 0.00 0.00 175.35 179.09 7i1b h LYS 93 N 2.87 0.00 -5.54 4.03 2.10 -1.93 -3.43 116.57 114.68 7i1b h LYS 93 Ca -0.34 0.00 -0.44 0.00 -2.00 0.00 0.00 60.65 57.87 7i1b h LYS 93 Cb 1.19 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 32.33 7i1b h LYS 93 CO 0.59 0.03 -0.77 0.21 -2.00 0.00 0.00 179.45 177.50 7i1b s LYS 94 N -4.38 1.04 0.02 0.07 2.36 -1.26 0.54 119.74 118.13 7i1b s LYS 94 Ca -0.04 -1.23 -0.05 0.00 -2.55 0.00 0.00 55.97 52.10 7i1b s LYS 94 Cb 0.14 -0.99 -0.01 0.00 -1.05 0.00 0.00 37.83 35.92 7i1b s LYS 94 CO 0.52 0.20 0.07 -1.64 1.55 0.00 0.00 175.35 176.05 7i1b s MET 95 N -2.54 0.46 0.91 4.03 -1.94 -1.26 -4.94 119.30 114.01 7i1b s MET 95 Ca 0.09 -0.55 -0.11 0.00 -1.71 0.00 0.00 55.69 53.40 7i1b s MET 95 Cb -0.06 0.18 0.14 0.00 2.01 0.00 0.00 34.83 37.10 7i1b s MET 95 CO 0.03 -0.10 1.09 -1.21 -0.01 0.00 0.00 175.02 174.82 7i1b s GLU 96 N -1.70 1.14 0.33 2.03 0.41 -1.26 -4.73 118.70 114.92 7i1b s GLU 96 Ca -0.13 0.88 0.03 0.00 -0.41 0.00 0.00 54.97 55.34 7i1b s GLU 96 Cb -0.07 -1.79 0.64 0.00 -1.78 0.00 0.00 34.13 31.13 7i1b s GLU 96 CO -0.01 -2.34 1.93 0.87 -0.49 0.00 0.00 175.26 175.22 7i1b h LYS 97 N -1.62 0.86 -0.61 1.61 6.56 -1.91 -1.06 116.57 120.41 7i1b h LYS 97 Ca -0.50 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.04 7i1b h LYS 97 Cb 1.28 -0.19 -0.03 0.00 -0.57 0.00 0.00 32.23 32.72 7i1b h LYS 97 CO 0.53 0.57 0.38 0.07 -2.06 0.00 0.00 179.45 178.95 7i1b h ARG 98 N 0.89 0.81 -0.01 3.15 -0.00 -1.91 -2.16 114.38 115.15 7i1b h ARG 98 Ca 0.36 -0.06 0.00 0.00 -0.00 0.00 0.00 59.98 60.28 7i1b h ARG 98 Cb 0.26 -0.18 0.00 0.00 -0.00 0.00 0.00 29.97 30.05 7i1b h ARG 98 CO -0.13 0.56 -0.53 1.19 -0.00 0.00 0.00 179.97 181.06 7i1b n PHE 99 N -4.43 0.00 -3.24 4.08 3.72 -0.73 -3.31 117.46 113.56 7i1b n PHE 99 Ca 0.06 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.07 7i1b n PHE 99 Cb 0.06 -0.09 -0.06 0.00 -0.94 0.00 0.00 39.48 38.45 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 5.08 -0.18 -4.37 1.01 -0.48 -4.40 120.40 114.35 7i1b s VAL 100 Ca 0.16 1.12 -0.00 0.00 0.00 0.00 0.00 61.98 63.27 7i1b s VAL 100 Cb 0.18 -3.89 0.05 0.00 0.00 0.00 0.00 36.38 32.72 7i1b s VAL 100 CO 0.65 0.35 -0.05 -0.36 0.00 0.00 0.00 175.10 175.68 7i1b s PHE 101 N 0.38 1.83 -0.47 5.22 0.40 -0.80 -2.26 117.98 122.27 7i1b s PHE 101 Ca 0.30 -1.23 -0.27 0.00 -0.60 0.00 0.00 56.93 55.12 7i1b s PHE 101 Cb -0.16 -1.36 -0.03 0.00 0.51 0.00 0.00 43.02 41.97 7i1b s PHE 101 CO 0.14 -0.66 1.93 -0.80 0.70 0.00 0.00 175.22 176.53 7i1b s ASN 102 N 1.59 5.40 -0.64 1.36 0.02 -0.92 -2.38 114.94 119.37 7i1b s ASN 102 Ca -0.01 0.87 -0.28 0.00 -1.02 0.00 0.00 52.86 52.43 7i1b s ASN 102 Cb -0.16 -2.52 0.03 0.00 0.02 0.00 0.00 41.25 38.61 7i1b s ASN 102 CO -0.07 -2.18 1.25 -0.75 0.02 0.00 0.00 177.10 175.37 7i1b s LYS 103 N 6.65 3.36 0.20 -0.60 2.36 -0.77 -2.55 119.74 128.40 7i1b s LYS 103 Ca 0.77 0.08 0.01 0.00 -2.55 0.00 0.00 55.97 54.29 7i1b s LYS 103 Cb -0.18 -4.09 -0.04 0.00 -1.05 0.00 0.00 37.83 32.47 7i1b s LYS 103 CO 0.27 -1.90 0.36 0.42 1.55 0.00 0.00 175.35 176.06 7i1b s ILE 104 N 5.40 5.25 -0.11 5.43 1.01 0.35 -2.50 121.20 136.02 7i1b s ILE 104 Ca 0.41 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.50 7i1b s ILE 104 Cb -0.08 -3.77 -0.01 0.00 0.01 0.00 0.00 42.46 38.62 7i1b s ILE 104 CO 0.21 -0.20 -0.19 -1.61 0.00 0.00 0.00 174.94 173.15 7i1b s GLU 105 N -3.48 3.19 -0.35 2.79 2.02 -1.26 -1.04 118.70 120.57 7i1b s GLU 105 Ca 0.36 -0.79 -0.01 0.00 0.02 0.00 0.00 54.97 54.56 7i1b s GLU 105 Cb -0.11 -2.45 0.12 0.00 0.10 0.00 0.00 34.13 31.79 7i1b s GLU 105 CO 0.29 0.21 0.18 0.42 0.02 0.00 0.00 175.26 176.38 7i1b s ILE 106 N 0.32 0.50 -1.21 -1.63 1.01 0.81 -4.87 121.20 116.13 7i1b s ILE 106 Ca -0.15 -1.61 -0.01 0.00 0.00 0.00 0.00 60.65 58.88 7i1b s ILE 106 Cb -0.17 -1.38 0.00 0.00 0.01 0.00 0.00 42.46 40.93 7i1b s ILE 106 CO 0.07 -0.85 1.01 -3.20 0.00 0.00 0.00 174.94 171.98 7i1b n ASN 107 N 4.37 -2.56 0.00 3.58 5.15 -1.26 -1.58 115.26 122.96 7i1b n ASN 107 Ca 0.04 -0.61 0.00 0.00 -0.60 0.00 0.00 54.58 53.42 7i1b n ASN 107 Cb 0.39 -5.08 0.00 0.00 -0.53 0.00 0.00 39.78 34.55 7i1b n ASN 107 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 7i1b n ASN 108 N -3.10 0.00 -4.94 1.20 2.85 -1.26 -5.00 115.26 105.01 7i1b n ASN 108 Ca -0.25 0.00 -0.27 0.00 -0.11 0.00 0.00 54.58 53.95 7i1b n ASN 108 Cb 0.66 -0.22 -0.03 0.00 1.24 0.00 0.00 39.78 41.42 7i1b n ASN 108 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 7i1b s LYS 109 N -0.08 3.48 0.08 1.20 -0.14 -0.62 -4.90 119.74 118.76 7i1b s LYS 109 Ca 0.00 -0.47 0.06 0.00 -1.36 0.00 0.00 55.97 54.19 7i1b s LYS 109 Cb 0.00 -2.91 -0.04 0.00 -1.68 0.00 0.00 37.83 33.20 7i1b s LYS 109 CO 0.00 0.47 -0.06 -0.51 -0.76 0.00 0.00 175.35 174.49 7i1b s LEU 110 N -3.25 3.20 -0.04 3.17 1.43 0.96 -0.13 118.68 124.01 7i1b s LEU 110 Ca 0.36 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 53.18 7i1b s LEU 110 Cb -0.11 -1.94 0.03 0.00 0.03 0.00 0.00 46.19 44.20 7i1b s LEU 110 CO 0.29 0.20 0.04 -0.70 0.23 0.00 0.00 176.35 176.41 7i1b s GLU 111 N -2.06 0.08 -0.38 1.70 2.12 -0.20 -0.37 118.70 119.58 7i1b s GLU 111 Ca 0.22 0.28 -0.12 0.00 0.36 0.00 0.00 54.97 55.71 7i1b s GLU 111 Cb -0.11 -0.56 0.03 0.00 0.26 0.00 0.00 34.13 33.75 7i1b s GLU 111 CO 0.14 -0.29 0.23 -0.06 -0.54 0.00 0.00 175.26 174.74 7i1b s PHE 112 N 1.90 3.24 -0.12 5.30 0.08 -1.26 -0.49 117.98 126.62 7i1b s PHE 112 Ca 0.02 -0.86 -0.13 0.00 0.12 0.00 0.00 56.93 56.08 7i1b s PHE 112 Cb -0.12 -2.48 -0.05 0.00 -0.57 0.00 0.00 43.02 39.80 7i1b s PHE 112 CO -0.03 -0.63 0.28 -2.00 -0.10 0.00 0.00 175.22 172.74 7i1b s GLU 113 N 1.59 4.05 -0.41 0.44 2.12 -1.06 -2.19 118.70 123.23 7i1b s GLU 113 Ca 0.03 0.11 -0.27 0.00 0.36 0.00 0.00 54.97 55.19 7i1b s GLU 113 Cb -0.19 -3.35 -0.03 0.00 0.26 0.00 0.00 34.13 30.82 7i1b s GLU 113 CO 0.08 0.42 1.97 0.45 -0.54 0.00 0.00 175.26 177.64 7i1b s SER 114 N -0.09 5.43 0.60 -1.70 0.15 -0.09 -2.17 113.70 115.83 7i1b s SER 114 Ca 0.17 1.10 0.19 0.00 0.70 0.00 0.00 55.95 58.11 7i1b s SER 114 Cb -0.13 -2.52 1.01 0.00 -1.71 0.00 0.00 66.02 62.67 7i1b s SER 114 CO 0.05 -2.11 1.54 0.00 1.20 0.00 0.00 173.24 173.93 7i1b h ALA 115 N 14.83 1.49 0.00 5.45 0.00 -1.59 -0.62 119.26 138.82 7i1b h ALA 115 Ca -0.31 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 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 1.09 -0.49 -0.11 0.37 0.00 0.00 0.00 179.25 180.11 7i1b h GLN 116 N 0.00 0.00 -4.13 0.00 4.15 -1.81 -3.43 115.11 109.90 7i1b h GLN 116 Ca 0.00 0.00 -0.71 0.00 0.77 0.00 0.00 58.65 58.71 7i1b h GLN 116 Cb 1.04 0.00 -0.33 0.00 0.21 0.00 0.00 27.48 28.39 7i1b h GLN 116 CO 0.00 0.37 -0.43 -0.06 -1.93 0.00 0.00 178.83 176.78 7i1b s PHE 117 N -1.86 3.50 0.64 3.99 0.08 -0.24 -5.08 117.98 119.01 7i1b s PHE 117 Ca -0.09 -2.38 -0.18 0.00 0.12 0.00 0.00 56.93 54.41 7i1b s PHE 117 Cb -0.00 -3.31 -0.01 0.00 -0.57 0.00 0.00 43.02 39.13 7i1b s PHE 117 CO 0.27 -0.94 1.27 -2.14 -0.10 0.00 0.00 175.22 173.58 7i1b s PRO 118 N 0.76 2.61 0.00 0.24 0.02 -1.23 -2.29 135.00 135.11 7i1b s PRO 118 Ca 0.11 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.14 7i1b s PRO 118 Cb -0.22 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.44 7i1b s PRO 118 CO -0.03 -1.54 0.00 0.09 -0.33 0.00 0.00 177.00 175.19 7i1b n ASN 119 N -1.89 0.00 -4.30 2.53 3.02 -1.26 -5.00 115.26 108.36 7i1b n ASN 119 Ca 0.15 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.35 7i1b n ASN 119 Cb 0.48 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.52 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 -2.84 3.01 0.53 3.10 0.52 -0.97 -4.47 118.94 117.82 7i1b s TRP 120 Ca 0.00 -1.02 0.01 0.00 0.02 0.00 0.00 56.10 55.11 7i1b s TRP 120 Cb 0.00 -2.13 0.01 0.00 -1.15 0.00 0.00 33.47 30.20 7i1b s TRP 120 CO 0.00 -0.57 0.06 0.71 0.02 0.00 0.00 176.95 177.17 7i1b s TYR 121 N 1.46 1.72 -0.13 -1.98 1.51 -0.93 -0.92 117.35 118.08 7i1b s TYR 121 Ca 0.04 -0.98 -0.24 0.00 -1.01 0.00 0.00 57.07 54.88 7i1b s TYR 121 Cb -0.15 -1.63 -0.02 0.00 -0.11 0.00 0.00 41.96 40.04 7i1b s TYR 121 CO -0.02 0.09 0.76 0.42 -1.11 0.00 0.00 175.55 175.69 7i1b s ILE 122 N -2.89 4.96 0.12 2.71 1.01 -0.93 -1.86 121.20 124.32 7i1b s ILE 122 Ca 0.06 1.52 0.03 0.00 0.00 0.00 0.00 60.65 62.26 7i1b s ILE 122 Cb -0.00 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 7i1b s ILE 122 CO 0.04 0.12 -0.07 -0.44 0.00 0.00 0.00 174.94 174.58 7i1b s SER 123 N 1.04 1.38 0.20 3.58 0.01 -0.61 -4.45 113.70 114.85 7i1b s SER 123 Ca 0.37 -1.03 0.10 0.00 1.31 0.00 0.00 55.95 56.70 7i1b s SER 123 Cb -0.17 0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.08 7i1b s SER 123 CO 0.15 -0.43 -0.19 0.42 0.41 0.00 0.00 173.24 173.60 7i1b s THR 124 N -3.52 2.02 -0.12 1.44 -4.23 -0.80 -2.63 115.64 107.79 7i1b s THR 124 Ca 0.15 -2.09 -0.22 0.00 -1.18 0.00 0.00 61.69 58.35 7i1b s THR 124 Cb 0.04 -2.02 -0.03 0.00 1.34 0.00 0.00 72.50 71.83 7i1b s THR 124 CO -0.02 -0.35 0.65 -0.55 -0.54 0.00 0.00 174.62 173.81 7i1b s SER 125 N -2.96 6.84 0.56 3.99 0.15 -1.26 -2.72 113.70 118.30 7i1b s SER 125 Ca 0.21 1.01 0.34 0.00 0.70 0.00 0.00 55.95 58.21 7i1b s SER 125 Cb -0.05 -2.37 1.48 0.00 -1.71 0.00 0.00 66.02 63.37 7i1b s SER 125 CO 0.09 -0.17 1.77 -0.61 1.20 0.00 0.00 173.24 175.52 7i1b h GLN 126 N 7.03 0.00 -6.98 5.44 5.75 -1.98 -3.41 115.11 120.95 7i1b h GLN 126 Ca -0.37 0.00 -0.51 0.00 -0.15 0.00 0.00 58.65 57.62 7i1b h GLN 126 Cb 1.17 0.00 0.21 0.00 1.07 0.00 0.00 27.48 29.93 7i1b h GLN 126 CO 0.77 0.00 -0.29 0.00 -2.65 0.00 0.00 178.83 176.66 7i1b n ALA 127 N -2.63 -2.23 -2.39 3.38 0.00 -1.26 -4.97 120.51 110.40 7i1b n ALA 127 Ca 0.22 -0.75 -0.31 0.00 0.00 0.00 0.00 53.44 52.59 7i1b n ALA 127 Cb 1.16 -1.93 -0.05 0.00 0.00 0.00 0.00 19.45 18.64 7i1b n ALA 127 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 7i1b s GLU 128 N -4.06 3.78 -0.51 0.00 8.01 -1.26 -4.56 118.70 120.10 7i1b s GLU 128 Ca 0.62 0.27 -0.25 0.00 0.01 0.00 0.00 54.97 55.62 7i1b s GLU 128 Cb -0.21 -2.60 0.04 0.00 -4.31 0.00 0.00 34.13 27.04 7i1b s GLU 128 CO 0.64 0.25 0.64 0.09 0.01 0.00 0.00 175.26 176.89 7i1b n ASN 129 N -0.43 -6.36 -3.78 -0.19 5.03 -1.25 -5.02 115.26 103.26 7i1b n ASN 129 Ca 0.00 -0.03 -0.14 0.00 0.87 0.00 0.00 54.58 55.29 7i1b n ASN 129 Cb 0.53 -3.09 -0.14 0.00 -1.02 0.00 0.00 39.78 36.06 7i1b n ASN 129 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 7i1b s MET 130 N -2.83 0.06 0.38 3.52 1.75 -1.26 -5.01 119.30 115.91 7i1b s MET 130 Ca 0.27 0.25 -0.28 0.00 -1.25 0.00 0.00 55.69 54.69 7i1b s MET 130 Cb -0.04 -0.13 -0.11 0.00 2.84 0.00 0.00 34.83 37.38 7i1b s MET 130 CO 0.84 -0.12 1.49 -1.25 -0.65 0.00 0.00 175.02 175.32 7i1b s PRO 131 N 0.83 4.10 0.67 4.11 0.04 -1.26 -2.76 135.00 140.73 7i1b s PRO 131 Ca -0.07 2.57 -0.15 0.00 0.04 0.00 0.00 61.00 63.39 7i1b s PRO 131 Cb -0.09 -2.96 0.01 0.00 0.04 0.00 0.00 34.50 31.50 7i1b s PRO 131 CO -0.04 -0.54 1.14 0.08 0.04 0.00 0.00 177.00 177.68 7i1b s VAL 132 N -1.12 2.97 0.37 -0.36 1.01 -1.04 -4.78 120.40 117.45 7i1b s VAL 132 Ca 0.53 0.46 -0.09 0.00 0.00 0.00 0.00 61.98 62.88 7i1b s VAL 132 Cb -0.46 -3.00 0.04 0.00 0.00 0.00 0.00 36.38 32.96 7i1b s VAL 132 CO 0.63 -0.27 0.66 2.22 0.00 0.00 0.00 175.10 178.34 7i1b n PHE 133 N -2.46 -1.99 -3.86 5.22 -1.74 -1.08 -4.84 117.46 106.71 7i1b n PHE 133 Ca 0.11 -2.00 -0.35 0.00 -0.56 0.00 0.00 57.45 54.65 7i1b n PHE 133 Cb 0.51 0.76 -0.10 0.00 1.52 0.00 0.00 39.48 42.18 7i1b n PHE 133 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 7i1b s LEU 134 N 0.00 3.87 0.07 5.98 2.96 -1.26 -1.57 118.68 128.73 7i1b s LEU 134 Ca 0.21 0.06 0.06 0.00 -0.22 0.00 0.00 54.13 54.24 7i1b s LEU 134 Cb -0.03 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 7i1b s LEU 134 CO 0.15 0.12 -0.17 -0.83 -1.32 0.00 0.00 176.35 174.30 7i1b s GLY 135 N 0.72 0.99 -0.83 7.98 0.00 -0.78 -4.59 107.32 110.81 7i1b s GLY 135 Ca 0.05 -1.05 -0.01 0.00 0.00 0.00 0.00 44.72 43.71 7i1b s GLY 135 CO 0.02 -1.05 1.86 0.61 0.00 0.00 0.00 173.10 174.53 7i1b n GLY 136 N 1.38 5.70 2.52 0.20 0.00 -1.26 -2.20 105.19 111.52 7i1b n GLY 136 Ca -0.20 -2.54 -0.29 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 -4.97 0.07 -0.10 2.61 2.01 -1.26 -4.98 115.64 109.02 7i1b s THR 137 Ca 0.49 -1.17 -0.29 0.00 0.31 0.00 0.00 61.69 61.03 7i1b s THR 137 Cb 0.38 -1.07 -0.06 0.00 0.01 0.00 0.00 72.50 71.76 7i1b s THR 137 CO -0.33 -0.83 1.80 -0.75 -0.69 0.00 0.00 174.62 173.82 7i1b s LYS 138 N 1.67 3.92 7.94 4.92 2.20 -1.26 -4.63 119.74 134.50 7i1b s LYS 138 Ca 0.13 2.13 0.00 0.00 -0.36 0.00 0.00 55.97 57.87 7i1b s LYS 138 Cb -0.19 -4.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.03 7i1b s LYS 138 CO -0.22 -1.17 0.00 0.41 -0.36 0.00 0.00 175.35 174.02 7i1b n GLY 139 N 4.60 4.14 7.00 5.54 0.00 -1.26 -4.86 105.19 120.35 7i1b n GLY 139 Ca 0.20 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 3.80 0.00 -0.02 0.00 -1.26 -1.62 105.19 106.09 7i1b n GLY 140 Ca 0.00 0.21 0.08 0.00 0.00 0.00 0.00 46.02 46.31 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 12.43 1.06 -3.62 1.61 0.00 -1.26 -4.95 117.38 122.65 7i1b n GLN 141 Ca 0.00 -0.06 -0.37 0.00 -0.00 0.00 0.00 57.00 56.57 7i1b n GLN 141 Cb 0.00 -1.35 -0.06 0.00 0.00 0.00 0.00 30.24 28.83 7i1b n GLN 141 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 7i1b s ASP 142 N -3.14 6.67 -0.81 1.69 1.11 -0.64 -4.67 116.67 116.88 7i1b s ASP 142 Ca 0.02 0.80 -0.23 0.00 0.18 0.00 0.00 52.55 53.31 7i1b s ASP 142 Cb 0.12 -2.19 0.07 0.00 1.07 0.00 0.00 42.92 41.99 7i1b s ASP 142 CO 0.71 0.34 1.17 -0.63 1.18 0.00 0.00 175.17 177.94 7i1b s ILE 143 N -1.10 4.17 -0.13 0.77 1.01 -1.10 -4.11 121.20 120.71 7i1b s ILE 143 Ca 0.22 -0.49 0.19 0.00 0.00 0.00 0.00 60.65 60.57 7i1b s ILE 143 Cb -0.15 -4.84 -0.19 0.00 0.01 0.00 0.00 42.46 37.29 7i1b s ILE 143 CO 0.11 -1.67 0.63 0.35 0.00 0.00 0.00 174.94 174.36 7i1b n THR 144 N 6.15 0.89 -1.19 2.92 -2.24 -1.26 -1.91 114.28 117.64 7i1b n THR 144 Ca 0.11 -0.66 -0.30 0.00 -2.27 0.00 0.00 64.05 60.92 7i1b n THR 144 Cb 0.48 -0.47 0.12 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 -5.39 3.83 0.36 3.42 1.47 -1.26 -4.60 116.67 114.49 7i1b s ASP 145 Ca -0.05 1.67 -0.09 0.00 1.18 0.00 0.00 52.55 55.25 7i1b s ASP 145 Cb 0.09 -2.34 0.04 0.00 -0.34 0.00 0.00 42.92 40.37 7i1b s ASP 145 CO 0.83 -2.44 0.64 0.49 0.68 0.00 0.00 175.17 175.38 7i1b n PHE 146 N -3.77 -1.97 -3.46 2.11 3.72 0.51 -4.14 117.46 110.46 7i1b n PHE 146 Ca 0.08 -1.94 -0.08 0.00 -0.05 0.00 0.00 57.45 55.45 7i1b n PHE 146 Cb 0.54 0.75 -0.08 0.00 -0.94 0.00 0.00 39.48 39.75 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 -2.39 -0.63 0.44 4.37 -4.23 -0.12 -0.03 115.64 113.05 7i1b s THR 147 Ca 0.20 0.02 -0.10 0.00 -1.18 0.00 0.00 61.69 60.63 7i1b s THR 147 Cb -0.03 -0.76 -0.06 0.00 1.34 0.00 0.00 72.50 72.99 7i1b s THR 147 CO 0.14 -0.04 0.81 -0.32 -0.54 0.00 0.00 174.62 174.67 7i1b s MET 148 N 2.58 3.74 -0.11 3.99 1.75 -1.26 -1.56 119.30 128.43 7i1b s MET 148 Ca 0.08 0.48 -0.01 0.00 -1.25 0.00 0.00 55.69 54.99 7i1b s MET 148 Cb -0.14 -2.34 0.03 0.00 2.84 0.00 0.00 34.83 35.21 7i1b s MET 148 CO -0.15 -0.13 -0.06 -0.65 -0.65 0.00 0.00 175.02 173.39 7i1b s GLN 149 N -4.12 1.31 -0.13 4.11 -1.52 -1.03 -4.95 119.66 113.33 7i1b s GLN 149 Ca 0.51 -0.18 -0.29 0.00 -1.95 0.00 0.00 55.36 53.45 7i1b s GLN 149 Cb -0.10 -1.47 -0.03 0.00 -0.22 0.00 0.00 33.01 31.19 7i1b s GLN 149 CO 0.35 -0.28 1.40 -0.06 -0.25 0.00 0.00 175.29 176.45 7i1b s PHE 150 N 1.77 2.54 0.47 0.91 0.40 -1.26 -2.32 117.98 120.48 7i1b s PHE 150 Ca 0.05 0.72 0.07 0.00 -0.60 0.00 0.00 56.93 57.17 7i1b s PHE 150 Cb -0.13 -3.65 0.08 0.00 0.51 0.00 0.00 43.02 39.83 7i1b s PHE 150 CO -0.08 -2.46 0.64 1.33 0.70 0.00 0.00 175.22 175.36 7i1b n VAL 151 N 5.42 0.00 -3.96 -0.44 0.24 -1.16 -5.00 118.33 113.43 7i1b n VAL 151 Ca 0.15 -1.50 -0.09 0.00 -2.04 0.00 0.00 64.34 60.86 7i1b n VAL 151 Cb 0.44 -0.65 -0.05 0.00 -1.47 0.00 0.00 33.84 32.12 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 -3.86 -0.12 0.00 -1.34 0.01 -1.26 -4.89 113.70 102.23 7i1b s SER 152 Ca 0.48 -0.85 0.28 0.00 1.31 0.00 0.00 55.95 57.17 7i1b s SER 152 Cb -0.04 0.60 0.98 0.00 0.21 0.00 0.00 66.02 67.77 7i1b s SER 152 CO 0.31 -1.15 1.71 -0.24 0.41 0.00 0.00 173.24 174.27