#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 0.72 -3.08 0.00 -0.04 -1.26 -4.80 135.00 126.55 7i1b n PRO 2 Ca 0.00 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.28 7i1b n PRO 2 Cb 0.00 -1.14 0.01 0.00 -0.04 0.00 0.00 33.50 32.33 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 0.35 2.90 -0.34 0.52 -7.23 -1.26 -4.98 120.40 110.37 7i1b s VAL 3 Ca 0.00 -1.04 -0.06 0.00 -1.81 0.00 0.00 61.98 59.07 7i1b s VAL 3 Cb 0.00 -2.94 0.04 0.00 0.56 0.00 0.00 36.38 34.04 7i1b s VAL 3 CO 0.00 0.00 0.10 -0.13 -0.31 0.00 0.00 175.10 174.76 7i1b s ARG 4 N -4.35 2.59 0.39 4.82 0.52 -1.26 -5.06 118.95 116.60 7i1b s ARG 4 Ca 0.55 -1.21 -0.03 0.00 -0.52 0.00 0.00 55.73 54.51 7i1b s ARG 4 Cb -0.09 -3.44 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 7i1b s ARG 4 CO 0.33 -0.68 0.65 -1.12 0.02 0.00 0.00 175.30 174.50 7i1b s SER 5 N 1.42 6.32 -0.12 0.23 0.01 -1.26 -2.75 113.70 117.56 7i1b s SER 5 Ca -0.02 0.72 -0.04 0.00 1.31 0.00 0.00 55.95 57.92 7i1b s SER 5 Cb -0.20 -2.15 0.06 0.00 0.21 0.00 0.00 66.02 63.94 7i1b s SER 5 CO 0.02 -0.39 0.19 -0.22 0.41 0.00 0.00 173.24 173.25 7i1b s LEU 6 N -4.31 -0.12 0.18 2.44 1.98 0.25 -4.97 118.68 114.14 7i1b s LEU 6 Ca 0.44 0.26 -0.30 0.00 -2.89 0.00 0.00 54.13 51.65 7i1b s LEU 6 Cb -0.10 0.36 -0.08 0.00 0.66 0.00 0.00 46.19 47.04 7i1b s LEU 6 CO 0.38 -0.26 1.12 0.20 -1.89 0.00 0.00 176.35 175.90 7i1b s ASN 7 N 2.32 7.23 -0.14 3.68 0.01 -1.26 0.42 114.94 127.19 7i1b s ASN 7 Ca 0.03 2.12 -0.32 0.00 -0.71 0.00 0.00 52.86 53.98 7i1b s ASN 7 Cb -0.13 -2.60 0.13 0.00 0.41 0.00 0.00 41.25 39.06 7i1b s ASN 7 CO -0.07 -0.25 1.11 0.00 -1.51 0.00 0.00 177.10 176.38 7i1b s THR 9 N -2.30 1.83 -0.01 0.00 -4.23 -1.02 -1.14 115.64 108.77 7i1b s THR 9 Ca 0.07 -1.26 0.00 0.00 -1.18 0.00 0.00 61.69 59.32 7i1b s THR 9 Cb -0.01 -2.09 0.01 0.00 1.34 0.00 0.00 72.50 71.76 7i1b s THR 9 CO -0.05 0.00 0.00 -0.76 -0.54 0.00 0.00 174.62 173.27 7i1b s LEU 10 N -4.48 1.53 0.03 4.79 1.43 -1.26 -2.37 118.68 118.35 7i1b s LEU 10 Ca 0.47 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.59 7i1b s LEU 10 Cb -0.04 -0.10 -0.02 0.00 0.03 0.00 0.00 46.19 46.06 7i1b s LEU 10 CO 0.30 -0.05 -0.09 -0.13 0.23 0.00 0.00 176.35 176.60 7i1b s ARG 11 N 0.54 0.62 0.00 1.70 0.52 -0.58 -3.43 118.95 118.32 7i1b s ARG 11 Ca -0.05 -0.62 0.00 0.00 -0.52 0.00 0.00 55.73 54.54 7i1b s ARG 11 Cb -0.07 -0.51 0.00 0.00 0.52 0.00 0.00 34.95 34.88 7i1b s ARG 11 CO -0.01 0.12 0.00 -0.40 0.02 0.00 0.00 175.30 175.03 7i1b n ASP 12 N 1.95 -0.26 0.23 0.23 5.75 -0.71 -0.45 116.55 123.30 7i1b n ASP 12 Ca -0.19 -0.81 0.12 0.00 -0.01 0.00 0.00 54.79 53.90 7i1b n ASP 12 Cb 0.56 0.00 0.42 0.00 -1.03 0.00 0.00 41.12 41.07 7i1b n ASP 12 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 7i1b h SER 13 N -0.26 0.00 -0.07 -1.12 4.64 -1.89 -2.68 113.55 112.18 7i1b h SER 13 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 7i1b h SER 13 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 7i1b h SER 13 CO 0.00 0.12 0.00 1.67 -0.87 0.00 0.00 176.83 177.75 7i1b n GLN 14 N -3.20 1.68 -0.73 4.77 -0.06 -1.26 -4.90 117.38 113.68 7i1b n GLN 14 Ca 0.01 -0.99 0.00 0.00 -2.00 0.00 0.00 57.00 54.02 7i1b n GLN 14 Cb 0.44 -1.45 0.00 0.00 -4.06 0.00 0.00 30.24 25.17 7i1b n GLN 14 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 7i1b n GLN 15 N 0.21 0.00 -2.16 3.69 7.27 -1.01 -5.03 117.38 120.35 7i1b n GLN 15 Ca 0.18 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.87 7i1b n GLN 15 Cb 0.34 -2.00 -0.00 0.00 2.41 0.00 0.00 30.24 30.98 7i1b n GLN 15 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 7i1b s LYS 16 N -0.27 3.80 0.26 3.69 1.02 -1.26 -4.72 119.74 122.26 7i1b s LYS 16 Ca 0.00 1.93 0.06 0.00 0.02 0.00 0.00 55.97 57.99 7i1b s LYS 16 Cb 0.00 -2.53 -0.03 0.00 -0.52 0.00 0.00 37.83 34.75 7i1b s LYS 16 CO 0.00 -0.56 0.28 -1.12 -0.92 0.00 0.00 175.35 173.03 7i1b s SER 17 N -1.11 5.77 -0.09 2.83 0.01 -0.85 -1.74 113.70 118.52 7i1b s SER 17 Ca 0.61 -0.18 -0.13 0.00 1.31 0.00 0.00 55.95 57.57 7i1b s SER 17 Cb -0.33 -1.47 -0.05 0.00 0.21 0.00 0.00 66.02 64.38 7i1b s SER 17 CO 0.40 -0.12 0.31 -0.76 0.41 0.00 0.00 173.24 173.48 7i1b s LEU 18 N -3.93 4.37 0.03 2.44 1.43 -1.22 -2.39 118.68 119.41 7i1b s LEU 18 Ca 0.35 0.69 0.05 0.00 -1.03 0.00 0.00 54.13 54.19 7i1b s LEU 18 Cb -0.08 -2.39 -0.02 0.00 0.03 0.00 0.00 46.19 43.73 7i1b s LEU 18 CO 0.27 0.26 -0.16 0.68 0.23 0.00 0.00 176.35 177.63 7i1b s VAL 19 N -0.51 1.25 -1.01 -1.59 -7.23 0.84 -2.68 120.40 109.47 7i1b s VAL 19 Ca 0.19 -0.98 -0.19 0.00 -1.81 0.00 0.00 61.98 59.19 7i1b s VAL 19 Cb -0.14 -1.10 0.11 0.00 0.56 0.00 0.00 36.38 35.81 7i1b s VAL 19 CO 0.08 0.11 1.29 0.00 -0.31 0.00 0.00 175.10 176.27 7i1b s MET 20 N -1.01 3.68 0.00 4.82 0.23 -1.26 -0.37 119.30 125.39 7i1b s MET 20 Ca 0.04 -1.69 0.21 0.00 -1.03 0.00 0.00 55.69 53.22 7i1b s MET 20 Cb -0.08 -5.10 0.98 0.00 -1.53 0.00 0.00 34.83 29.10 7i1b s MET 20 CO 0.01 -1.93 1.68 0.45 -2.03 0.00 0.00 175.02 173.20 7i1b n SER 21 N 7.22 0.00 -3.25 -1.18 2.88 -1.17 -4.85 113.62 113.28 7i1b n SER 21 Ca 0.30 0.27 -0.07 0.00 -1.33 0.00 0.00 58.87 58.04 7i1b n SER 21 Cb 0.49 -0.41 0.01 0.00 -0.75 0.00 0.00 64.21 63.55 7i1b n SER 21 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 7i1b s GLY 22 N -2.81 0.19 0.05 0.46 0.00 -1.12 -4.98 107.32 99.10 7i1b s GLY 22 Ca 0.15 -0.53 -0.26 0.00 0.00 0.00 0.00 44.72 44.08 7i1b s GLY 22 CO 0.36 0.17 1.39 -2.55 0.00 0.00 0.00 173.10 172.47 7i1b h PRO 23 N 2.00 -0.84 -0.86 2.90 0.10 -2.02 -3.14 132.00 130.13 7i1b h PRO 23 Ca -0.28 0.06 -0.50 0.00 0.10 0.00 0.00 66.00 65.38 7i1b h PRO 23 Cb 1.24 0.19 -0.27 0.00 0.10 0.00 0.00 31.00 32.26 7i1b h PRO 23 CO 0.35 -0.56 0.49 0.66 0.10 0.00 0.00 178.00 179.04 7i1b n TYR 24 N -4.52 2.72 -4.01 0.65 4.01 -1.26 -4.94 117.16 109.80 7i1b n TYR 24 Ca -0.11 -2.13 -0.14 0.00 -0.16 0.00 0.00 57.90 55.37 7i1b n TYR 24 Cb 0.36 -0.96 -0.14 0.00 -0.31 0.00 0.00 39.34 38.29 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 -3.44 0.23 0.09 -0.72 2.02 -1.19 -4.60 118.70 111.09 7i1b s GLU 25 Ca 0.56 -0.16 0.03 0.00 0.02 0.00 0.00 54.97 55.43 7i1b s GLU 25 Cb 0.47 -0.18 -0.03 0.00 0.10 0.00 0.00 34.13 34.48 7i1b s GLU 25 CO 0.05 0.05 -0.10 -0.51 0.02 0.00 0.00 175.26 174.77 7i1b s LEU 26 N -0.23 2.39 0.01 1.80 1.43 -1.26 -2.77 118.68 120.05 7i1b s LEU 26 Ca -0.01 -0.79 -0.01 0.00 -1.03 0.00 0.00 54.13 52.29 7i1b s LEU 26 Cb -0.02 -0.27 -0.01 0.00 0.03 0.00 0.00 46.19 45.92 7i1b s LEU 26 CO -0.00 -0.27 -0.00 -0.54 0.23 0.00 0.00 176.35 175.77 7i1b s LYS 27 N -2.71 0.21 -0.27 1.70 1.02 0.50 -2.41 119.74 117.78 7i1b s LYS 27 Ca 0.04 -0.35 -0.05 0.00 0.02 0.00 0.00 55.97 55.63 7i1b s LYS 27 Cb -0.03 0.08 0.01 0.00 -0.52 0.00 0.00 37.83 37.37 7i1b s LYS 27 CO -0.00 -0.04 0.03 0.00 -0.92 0.00 0.00 175.35 174.42 7i1b s ALA 28 N -0.90 2.93 0.29 5.17 0.00 -1.09 -0.11 121.76 128.06 7i1b s ALA 28 Ca -0.10 -1.44 0.02 0.00 0.00 0.00 0.00 51.96 50.44 7i1b s ALA 28 Cb -0.06 -1.97 -0.01 0.00 0.00 0.00 0.00 23.12 21.08 7i1b s ALA 28 CO -0.00 -0.86 0.35 1.47 0.00 0.00 0.00 175.76 176.72 7i1b n LEU 29 N 4.80 0.00 -4.50 0.00 -0.00 -1.01 -3.95 117.00 112.34 7i1b n LEU 29 Ca -0.15 -2.56 -0.42 0.00 -0.00 0.00 0.00 56.01 52.88 7i1b n LEU 29 Cb 0.48 1.89 -0.03 0.00 -0.00 0.00 0.00 43.42 45.75 7i1b n LEU 29 CO 0.30 -0.52 0.97 -1.00 -0.00 0.00 0.00 177.39 177.14 7i1b s HIS 30 N -3.18 2.47 -0.13 1.47 3.76 -1.26 -2.00 115.29 116.42 7i1b s HIS 30 Ca 0.29 -0.29 -0.18 0.00 -0.15 0.00 0.00 55.06 54.72 7i1b s HIS 30 Cb 0.00 -4.47 -0.04 0.00 1.11 0.00 0.00 32.58 29.18 7i1b s HIS 30 CO 0.20 -1.88 0.48 -1.17 -0.85 0.00 0.00 174.74 171.53 7i1b s LEU 31 N 4.94 4.26 -0.12 0.89 2.96 -1.26 -5.01 118.68 125.34 7i1b s LEU 31 Ca 0.29 0.80 -0.29 0.00 -0.22 0.00 0.00 54.13 54.71 7i1b s LEU 31 Cb -0.12 -2.69 0.07 0.00 0.50 0.00 0.00 46.19 43.95 7i1b s LEU 31 CO 0.13 -0.02 0.71 -1.58 -1.32 0.00 0.00 176.35 174.27 7i1b s GLN 32 N 0.72 0.97 0.49 1.98 2.00 -1.26 -4.93 119.66 119.62 7i1b s GLN 32 Ca 0.26 0.47 0.00 0.00 -2.00 0.00 0.00 55.36 54.09 7i1b s GLN 32 Cb -0.15 0.46 0.00 0.00 0.80 0.00 0.00 33.01 34.12 7i1b s GLN 32 CO 0.10 -0.26 0.00 0.41 -0.50 0.00 0.00 175.29 175.05 7i1b n GLY 33 N 1.43 -1.82 0.44 2.59 0.00 -1.26 -4.16 105.19 102.41 7i1b n GLY 33 Ca -0.17 -1.79 0.26 0.00 0.00 0.00 0.00 46.02 44.32 7i1b n GLY 33 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 7i1b h GLN 34 N 0.00 0.00 0.00 1.61 3.07 -2.06 0.48 115.11 118.22 7i1b h GLN 34 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 7i1b h GLN 34 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 7i1b h GLN 34 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 178.83 175.45 7i1b n ASP 35 N -4.20 0.00 0.27 0.06 2.03 -1.26 -2.57 116.55 110.88 7i1b n ASP 35 Ca 0.16 -0.14 0.13 0.00 0.52 0.00 0.00 54.79 55.46 7i1b n ASP 35 Cb 0.88 0.00 0.81 0.00 -0.72 0.00 0.00 41.12 42.08 7i1b n ASP 35 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 7i1b h MET 36 N 0.00 0.00 0.00 -0.67 4.05 -0.25 -0.60 114.93 117.46 7i1b h MET 36 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 7i1b h MET 36 Cb 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 7i1b h MET 36 CO 0.00 0.00 0.00 1.05 0.23 0.00 0.00 176.91 178.19 7i1b h GLU 37 N 0.00 0.00 -0.76 0.39 4.11 -1.75 -2.22 114.58 114.36 7i1b h GLU 37 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 7i1b h GLU 37 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 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 -3.05 0.77 -3.14 1.06 3.00 -0.23 -4.76 117.38 111.04 7i1b n GLN 38 Ca -0.01 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.59 7i1b n GLN 38 Cb 0.20 -1.38 -0.05 0.00 0.00 0.00 0.00 30.24 29.01 7i1b n GLN 38 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 7i1b s GLN 39 N -1.02 4.37 0.70 -1.09 -2.07 -0.84 -4.54 119.66 115.17 7i1b s GLN 39 Ca 0.00 0.71 -0.08 0.00 -1.82 0.00 0.00 55.36 54.16 7i1b s GLN 39 Cb 0.00 -3.47 0.04 0.00 -1.09 0.00 0.00 33.01 28.49 7i1b s GLN 39 CO 0.00 0.03 1.04 0.08 -1.32 0.00 0.00 175.29 175.12 7i1b s VAL 40 N 0.97 2.76 -0.07 3.63 1.01 -1.09 -5.02 120.40 122.58 7i1b s VAL 40 Ca 0.32 -0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.26 7i1b s VAL 40 Cb -0.17 -3.19 0.04 0.00 0.00 0.00 0.00 36.38 33.07 7i1b s VAL 40 CO 0.14 -0.22 0.13 -0.69 0.00 0.00 0.00 175.10 174.46 7i1b s VAL 41 N -3.27 -0.22 0.14 2.92 1.01 -1.26 -4.73 120.40 114.99 7i1b s VAL 41 Ca 0.59 0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.94 7i1b s VAL 41 Cb -0.11 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 7i1b s VAL 41 CO 0.47 0.15 0.30 -0.36 0.00 0.00 0.00 175.10 175.66 7i1b s PHE 42 N 2.26 3.49 -0.54 5.22 0.40 -0.29 -3.01 117.98 125.51 7i1b s PHE 42 Ca 0.04 0.23 -0.11 0.00 -0.60 0.00 0.00 56.93 56.49 7i1b s PHE 42 Cb -0.12 -1.76 0.14 0.00 0.51 0.00 0.00 43.02 41.79 7i1b s PHE 42 CO -0.05 0.49 0.44 0.45 0.70 0.00 0.00 175.22 177.26 7i1b s SER 43 N -2.99 5.93 0.30 1.36 0.15 0.12 -1.28 113.70 117.30 7i1b s SER 43 Ca 0.36 -2.04 -0.29 0.00 0.70 0.00 0.00 55.95 54.68 7i1b s SER 43 Cb -0.12 -2.08 -0.10 0.00 -1.71 0.00 0.00 66.02 62.01 7i1b s SER 43 CO 0.28 -0.70 1.42 -0.32 1.20 0.00 0.00 173.24 175.12 7i1b s MET 44 N 1.18 4.25 -0.18 5.44 1.75 0.17 -2.55 119.30 129.36 7i1b s MET 44 Ca 0.07 2.35 -0.00 0.00 -1.25 0.00 0.00 55.69 56.86 7i1b s MET 44 Cb -0.25 -3.06 0.04 0.00 2.84 0.00 0.00 34.83 34.40 7i1b s MET 44 CO -0.01 -0.38 -0.06 -1.12 -0.65 0.00 0.00 175.02 172.80 7i1b s SER 45 N -0.00 3.08 -0.52 1.11 0.01 -0.46 0.88 113.70 117.80 7i1b s SER 45 Ca 0.55 -0.78 -0.28 0.00 1.31 0.00 0.00 55.95 56.75 7i1b s SER 45 Cb -0.43 -1.01 0.01 0.00 0.21 0.00 0.00 66.02 64.81 7i1b s SER 45 CO 0.51 -0.19 1.46 -0.36 0.41 0.00 0.00 173.24 175.07 7i1b s PHE 46 N 1.56 2.25 0.69 2.43 0.08 -1.11 -0.02 117.98 123.86 7i1b s PHE 46 Ca -0.01 0.55 0.04 0.00 0.12 0.00 0.00 56.93 57.63 7i1b s PHE 46 Cb -0.16 -4.34 0.13 0.00 -0.57 0.00 0.00 43.02 38.08 7i1b s PHE 46 CO -0.08 -2.05 0.94 0.14 -0.10 0.00 0.00 175.22 174.08 7i1b s VAL 47 N 6.15 2.02 0.19 -0.44 -7.23 -1.05 -4.39 120.40 115.65 7i1b s VAL 47 Ca 0.57 -0.77 -0.08 0.00 -1.81 0.00 0.00 61.98 59.89 7i1b s VAL 47 Cb -0.12 -2.25 -0.06 0.00 0.56 0.00 0.00 36.38 34.50 7i1b s VAL 47 CO 0.27 0.00 0.47 -1.58 -0.31 0.00 0.00 175.10 173.95 7i1b s GLN 48 N -5.00 3.73 0.00 4.82 2.00 0.11 -4.84 119.66 120.48 7i1b s GLN 48 Ca 0.66 0.12 0.00 0.00 -2.00 0.00 0.00 55.36 54.14 7i1b s GLN 48 Cb -0.05 -2.75 0.00 0.00 0.80 0.00 0.00 33.01 31.01 7i1b s GLN 48 CO 0.43 0.39 0.00 0.41 -0.50 0.00 0.00 175.29 176.02 7i1b n GLY 49 N 0.02 -2.11 3.56 2.59 0.00 -1.26 -4.79 105.19 103.20 7i1b n GLY 49 Ca -0.01 -1.19 -0.20 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.53 0.28 -1.95 1.61 -0.58 -1.26 -4.87 120.64 113.34 7i1b n GLU 50 Ca 0.00 -1.72 -0.42 0.00 -0.42 0.00 0.00 57.16 54.60 7i1b n GLU 50 Cb 0.00 -3.75 -0.03 0.00 -0.57 0.00 0.00 31.44 27.09 7i1b n GLU 50 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 7i1b s GLU 51 N 8.10 4.21 0.00 3.49 2.02 -1.26 -4.93 118.70 130.33 7i1b s GLU 51 Ca 0.79 2.32 0.00 0.00 0.02 0.00 0.00 54.97 58.10 7i1b s GLU 51 Cb -0.02 -3.41 0.00 0.00 0.10 0.00 0.00 34.13 30.80 7i1b s GLU 51 CO 0.20 -0.67 0.00 0.45 0.02 0.00 0.00 175.26 175.26 7i1b n SER 52 N 4.88 1.95 0.09 -0.19 2.88 -1.02 -5.02 113.62 117.18 7i1b n SER 52 Ca 0.15 -0.67 0.12 0.00 -1.33 0.00 0.00 58.87 57.13 7i1b n SER 52 Cb 0.40 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.88 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 -0.71 0.80 0.00 -3.46 2.85 -1.26 -4.17 115.26 109.31 7i1b n ASN 53 Ca 0.00 0.25 0.00 0.00 -0.11 0.00 0.00 54.58 54.72 7i1b n ASN 53 Cb 0.00 0.45 0.00 0.00 1.24 0.00 0.00 39.78 41.47 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 -2.53 0.43 -4.13 1.20 8.00 -1.26 -4.98 116.55 113.28 7i1b n ASP 54 Ca 0.01 -0.71 -0.32 0.00 0.71 0.00 0.00 54.79 54.47 7i1b n ASP 54 Cb 0.53 0.55 -0.16 0.00 -0.02 0.00 0.00 41.12 42.01 7i1b n ASP 54 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 7i1b s LYS 55 N -0.55 2.92 -0.55 -1.24 1.02 -1.26 -4.07 119.74 116.00 7i1b s LYS 55 Ca 0.00 -0.81 0.04 0.00 0.02 0.00 0.00 55.97 55.22 7i1b s LYS 55 Cb 0.00 -2.45 0.15 0.00 -0.52 0.00 0.00 37.83 35.01 7i1b s LYS 55 CO 0.00 -0.12 0.35 0.42 -0.92 0.00 0.00 175.35 175.08 7i1b s ILE 56 N 1.08 2.12 -0.06 2.17 1.01 -0.95 -2.45 121.20 124.13 7i1b s ILE 56 Ca -0.01 -3.39 -0.30 0.00 0.00 0.00 0.00 60.65 56.95 7i1b s ILE 56 Cb -0.14 -2.44 -0.08 0.00 0.01 0.00 0.00 42.46 39.81 7i1b s ILE 56 CO -0.08 -0.95 2.06 -2.65 0.00 0.00 0.00 174.94 173.32 7i1b n PRO 57 N 2.78 2.51 -1.52 2.79 -0.02 -1.26 -2.37 135.00 137.90 7i1b n PRO 57 Ca 0.14 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 7i1b n PRO 57 Cb 0.36 -3.06 0.00 0.00 -0.02 0.00 0.00 33.50 30.77 7i1b n PRO 57 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 7i1b n VAL 58 N 6.30 0.00 -3.53 -1.45 0.24 -0.98 -2.54 118.33 116.37 7i1b n VAL 58 Ca 0.24 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.37 7i1b n VAL 58 Cb 0.41 0.00 -0.13 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 -0.32 -0.57 2.33 0.00 0.98 -2.04 121.76 120.14 7i1b s ALA 59 Ca 0.00 0.40 -0.27 0.00 0.00 0.00 0.00 51.96 52.09 7i1b s ALA 59 Cb 0.00 -1.23 0.03 0.00 0.00 0.00 0.00 23.12 21.92 7i1b s ALA 59 CO 0.00 -1.06 1.12 -0.51 0.00 0.00 0.00 175.76 175.31 7i1b s LEU 60 N 2.34 3.64 -0.13 0.00 1.43 -1.26 -1.35 118.68 123.35 7i1b s LEU 60 Ca 0.06 -0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 7i1b s LEU 60 Cb -0.15 -3.07 0.01 0.00 0.03 0.00 0.00 46.19 43.02 7i1b s LEU 60 CO -0.11 -1.41 -0.17 -0.83 0.23 0.00 0.00 176.35 174.06 7i1b s GLY 61 N 2.92 1.18 0.16 -3.19 0.00 -1.06 -2.63 107.32 104.71 7i1b s GLY 61 Ca 0.39 -0.90 -0.33 0.00 0.00 0.00 0.00 44.72 43.88 7i1b s GLY 61 CO 0.24 0.20 1.20 1.04 0.00 0.00 0.00 173.10 175.77 7i1b n LEU 62 N 4.27 1.59 0.00 0.66 4.77 -0.53 0.15 117.00 127.92 7i1b n LEU 62 Ca -0.19 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.93 7i1b n LEU 62 Cb 0.51 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.38 7i1b n LEU 62 CO 0.25 -1.23 0.33 1.17 -1.33 0.00 0.00 177.39 176.57 7i1b n LYS 63 N 1.89 0.00 0.10 3.23 4.81 -1.16 -3.96 118.16 123.06 7i1b n LYS 63 Ca 0.15 0.22 -0.12 0.00 -0.87 0.00 0.00 58.31 57.69 7i1b n LYS 63 Cb 0.24 -1.18 -0.05 0.00 0.02 0.00 0.00 35.03 34.06 7i1b n LYS 63 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 7i1b h GLU 64 N 0.00 -0.43 -7.10 1.64 5.08 -1.91 -3.42 114.58 108.43 7i1b h GLU 64 Ca 0.00 0.03 -0.49 0.00 -1.00 0.00 0.00 59.36 57.90 7i1b h GLU 64 Cb 0.00 0.10 0.03 0.00 0.50 0.00 0.00 28.75 29.38 7i1b h GLU 64 CO 0.00 -0.29 0.27 0.15 -1.00 0.00 0.00 179.01 178.14 7i1b s LYS 65 N -6.06 3.71 -0.48 2.33 1.02 -1.25 -4.97 119.74 114.04 7i1b s LYS 65 Ca -0.15 0.61 0.02 0.00 0.02 0.00 0.00 55.97 56.46 7i1b s LYS 65 Cb 0.08 -2.23 0.56 0.00 -0.52 0.00 0.00 37.83 35.72 7i1b s LYS 65 CO 0.65 -0.29 1.91 0.27 -0.92 0.00 0.00 175.35 176.97 7i1b n ASN 66 N -2.02 4.87 -4.73 2.83 0.23 -1.26 -4.13 115.26 111.05 7i1b n ASN 66 Ca 0.04 -3.55 -0.38 0.00 -0.53 0.00 0.00 54.58 50.16 7i1b n ASN 66 Cb 0.54 -0.87 -0.06 0.00 -2.08 0.00 0.00 39.78 37.31 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 -3.21 4.30 -0.11 -4.53 1.43 -1.26 -2.62 118.68 112.69 7i1b s LEU 67 Ca 0.55 0.87 0.03 0.00 -1.03 0.00 0.00 54.13 54.55 7i1b s LEU 67 Cb 0.45 -2.72 -0.01 0.00 0.03 0.00 0.00 46.19 43.94 7i1b s LEU 67 CO 0.07 0.03 -0.20 -0.31 0.23 0.00 0.00 176.35 176.17 7i1b s TYR 68 N 0.44 2.65 0.43 0.29 1.51 0.04 -1.46 117.35 121.25 7i1b s TYR 68 Ca 0.27 -0.84 -0.25 0.00 -1.01 0.00 0.00 57.07 55.24 7i1b s TYR 68 Cb -0.16 -1.75 -0.10 0.00 -0.11 0.00 0.00 41.96 39.85 7i1b s TYR 68 CO 0.11 -0.31 1.16 1.28 -1.11 0.00 0.00 175.55 176.69 7i1b n LEU 69 N 3.43 3.51 -3.73 -1.29 4.32 -1.08 -1.58 117.00 120.59 7i1b n LEU 69 Ca -0.18 1.07 -0.12 0.00 -0.02 0.00 0.00 56.01 56.75 7i1b n LEU 69 Cb 0.53 -1.44 -0.12 0.00 -1.62 0.00 0.00 43.42 40.77 7i1b n LEU 69 CO 0.29 -1.00 -0.06 -0.94 -1.22 0.00 0.00 177.39 174.45 7i1b s SER 70 N -0.65 -0.33 -0.20 -1.43 1.04 0.25 -4.35 113.70 108.03 7i1b s SER 70 Ca 0.63 0.63 -0.22 0.00 0.48 0.00 0.00 55.95 57.46 7i1b s SER 70 Cb -0.52 0.54 -0.02 0.00 0.10 0.00 0.00 66.02 66.12 7i1b s SER 70 CO 0.57 -0.15 0.71 0.00 0.98 0.00 0.00 173.24 175.35 7i1b s VAL 72 N 2.20 0.14 0.06 0.00 -7.23 -1.01 -4.75 120.40 109.81 7i1b s VAL 72 Ca 0.32 -1.16 -0.26 0.00 -1.81 0.00 0.00 61.98 59.07 7i1b s VAL 72 Cb -0.16 -0.81 -0.06 0.00 0.56 0.00 0.00 36.38 35.91 7i1b s VAL 72 CO 0.10 -0.64 0.80 -0.76 -0.31 0.00 0.00 175.10 174.29 7i1b s LEU 73 N -2.05 4.46 -0.58 1.32 1.43 -1.26 -1.81 118.68 120.19 7i1b s LEU 73 Ca -0.06 1.51 0.04 0.00 -1.03 0.00 0.00 54.13 54.59 7i1b s LEU 73 Cb -0.02 -3.29 0.16 0.00 0.03 0.00 0.00 46.19 43.06 7i1b s LEU 73 CO -0.04 0.01 0.39 -0.54 0.23 0.00 0.00 176.35 176.40 7i1b s LYS 74 N -0.09 1.89 0.00 1.70 1.02 -0.27 -4.72 119.74 119.27 7i1b s LYS 74 Ca 0.40 -2.79 0.00 0.00 0.02 0.00 0.00 55.97 53.60 7i1b s LYS 74 Cb -0.21 -2.82 0.00 0.00 -0.52 0.00 0.00 37.83 34.28 7i1b s LYS 74 CO 0.24 -1.27 0.00 -0.25 -0.92 0.00 0.00 175.35 173.16 7i1b n ASP 75 N 2.54 -1.48 -0.35 2.83 8.00 -1.26 -3.71 116.55 123.13 7i1b n ASP 75 Ca 0.18 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.64 7i1b n ASP 75 Cb 0.37 -0.37 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 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 0.29 -4.93 -4.13 -2.24 8.00 -1.26 -4.97 116.55 107.31 7i1b n ASP 76 Ca 0.00 0.11 -0.33 0.00 0.71 0.00 0.00 54.79 55.28 7i1b n ASP 76 Cb 0.37 -2.83 -0.15 0.00 -0.02 0.00 0.00 41.12 38.49 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 -1.94 2.74 0.40 -1.24 2.47 -1.24 -5.08 119.74 115.85 7i1b s LYS 77 Ca 0.00 -1.02 -0.26 0.00 -1.56 0.00 0.00 55.97 53.13 7i1b s LYS 77 Cb 0.00 -2.78 -0.10 0.00 -1.46 0.00 0.00 37.83 33.48 7i1b s LYS 77 CO 0.00 -0.37 1.33 -2.30 0.16 0.00 0.00 175.35 174.17 7i1b n PRO 78 N 4.58 2.12 -3.91 4.03 -0.02 -1.26 -1.12 135.00 139.43 7i1b n PRO 78 Ca -0.18 0.75 -0.09 0.00 -2.02 0.00 0.00 63.50 61.96 7i1b n PRO 78 Cb 0.47 -2.45 -0.05 0.00 -0.02 0.00 0.00 33.50 31.46 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 -1.16 0.02 -0.19 3.45 2.01 -0.75 -4.69 115.64 114.32 7i1b s THR 79 Ca 0.59 -1.19 -0.07 0.00 0.31 0.00 0.00 61.69 61.32 7i1b s THR 79 Cb -0.51 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 7i1b s THR 79 CO 0.60 -0.07 0.07 -0.22 -0.69 0.00 0.00 174.62 174.30 7i1b s LEU 80 N -2.96 3.78 0.04 4.42 2.96 -1.26 -2.41 118.68 123.25 7i1b s LEU 80 Ca 0.17 0.05 -0.00 0.00 -0.22 0.00 0.00 54.13 54.13 7i1b s LEU 80 Cb -0.01 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 7i1b s LEU 80 CO 0.04 0.15 -0.03 -1.10 -1.32 0.00 0.00 176.35 174.09 7i1b s GLN 81 N 0.52 0.50 -0.29 1.98 -1.52 -0.42 -4.83 119.66 115.60 7i1b s GLN 81 Ca 0.03 -0.97 -0.11 0.00 -1.95 0.00 0.00 55.36 52.37 7i1b s GLN 81 Cb -0.13 0.14 -0.04 0.00 -0.22 0.00 0.00 33.01 32.76 7i1b s GLN 81 CO 0.01 -0.08 0.20 -0.51 -0.25 0.00 0.00 175.29 174.66 7i1b s LEU 82 N -2.30 4.10 -0.09 2.90 1.43 -1.26 0.88 118.68 124.34 7i1b s LEU 82 Ca -0.03 -0.10 -0.00 0.00 -1.03 0.00 0.00 54.13 52.97 7i1b s LEU 82 Cb 0.00 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 7i1b s LEU 82 CO -0.06 -0.09 -0.06 -0.70 0.23 0.00 0.00 176.35 175.67 7i1b s GLU 83 N 1.75 3.02 -0.32 1.70 2.56 -0.61 -4.88 118.70 121.92 7i1b s GLU 83 Ca 0.07 -0.54 -0.25 0.00 0.00 0.00 0.00 54.97 54.24 7i1b s GLU 83 Cb -0.16 -2.68 0.01 0.00 2.00 0.00 0.00 34.13 33.30 7i1b s GLU 83 CO 0.11 0.54 0.88 0.45 -0.56 0.00 0.00 175.26 176.67 7i1b s SER 84 N -0.46 6.73 0.00 -1.70 0.15 -1.26 -0.78 113.70 116.38 7i1b s SER 84 Ca 0.07 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.45 7i1b s SER 84 Cb -0.12 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 7i1b s SER 84 CO 0.02 -0.72 0.00 1.33 1.20 0.00 0.00 173.24 175.08 7i1b n VAL 85 N 5.68 0.00 -2.92 4.45 0.24 -1.08 -4.99 118.33 119.71 7i1b n VAL 85 Ca 0.06 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.94 7i1b n VAL 85 Cb 0.48 -0.98 -0.05 0.00 -1.47 0.00 0.00 33.84 31.82 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 -0.97 6.63 0.00 -1.34 -1.08 -1.26 -4.90 116.67 113.74 7i1b s ASP 86 Ca 0.00 0.53 0.08 0.00 -0.52 0.00 0.00 52.55 52.64 7i1b s ASP 86 Cb 0.00 -2.42 0.41 0.00 -1.46 0.00 0.00 42.92 39.45 7i1b s ASP 86 CO 0.00 -0.71 1.17 -0.81 0.52 0.00 0.00 175.17 175.34 7i1b n PRO 87 N 6.41 0.09 -0.10 4.34 -0.04 -1.26 -1.74 135.00 142.69 7i1b n PRO 87 Ca 0.04 0.24 -0.14 0.00 -0.04 0.00 0.00 63.50 63.61 7i1b n PRO 87 Cb 0.48 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.34 0.57 0.07 0.54 5.02 -1.26 -4.67 118.16 117.09 7i1b n LYS 88 Ca 0.04 0.11 -0.23 0.00 -2.02 0.00 0.00 58.31 56.21 7i1b n LYS 88 Cb 0.07 -1.41 -0.15 0.00 -0.02 0.00 0.00 35.03 33.52 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 0.00 0.62 -3.80 4.39 4.21 -1.94 -3.46 115.58 115.59 7i1b h ASN 89 Ca -0.46 -0.93 -0.48 0.00 1.21 0.00 0.00 56.30 55.64 7i1b h ASN 89 Cb 1.73 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 38.72 7i1b h ASN 89 CO -0.07 1.75 0.15 -0.31 -1.29 0.00 0.00 177.43 177.67 7i1b s TYR 90 N -2.56 3.39 0.92 1.19 2.02 -0.71 -4.30 117.35 117.30 7i1b s TYR 90 Ca -0.16 1.25 -0.14 0.00 -0.37 0.00 0.00 57.07 57.65 7i1b s TYR 90 Cb 0.05 -2.58 0.15 0.00 -0.40 0.00 0.00 41.96 39.19 7i1b s TYR 90 CO 0.85 -0.01 1.20 -1.25 -1.57 0.00 0.00 175.55 174.76 7i1b s PRO 91 N -3.29 1.01 0.02 -1.71 0.04 -1.26 -4.77 135.00 125.04 7i1b s PRO 91 Ca 0.55 0.02 -0.04 0.00 0.04 0.00 0.00 61.00 61.57 7i1b s PRO 91 Cb -0.10 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 7i1b s PRO 91 CO 0.21 -2.23 0.07 0.15 0.04 0.00 0.00 177.00 175.24 7i1b s LYS 92 N -5.54 0.48 0.63 4.56 1.02 -1.26 -4.68 119.74 114.96 7i1b s LYS 92 Ca 0.67 -0.63 0.28 0.00 0.02 0.00 0.00 55.97 56.31 7i1b s LYS 92 Cb -0.10 0.19 1.48 0.00 -0.52 0.00 0.00 37.83 38.88 7i1b s LYS 92 CO 0.52 -0.11 1.86 1.57 -0.92 0.00 0.00 175.35 178.28 7i1b h LYS 93 N 4.09 0.00 -6.27 1.68 2.10 -1.93 -3.39 116.57 112.84 7i1b h LYS 93 Ca -0.32 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 57.73 7i1b h LYS 93 Cb 1.19 0.00 -0.24 0.00 -0.90 0.00 0.00 32.23 32.28 7i1b h LYS 93 CO 0.46 0.00 -0.85 0.21 -2.00 0.00 0.00 179.45 177.27 7i1b s LYS 94 N -4.33 1.37 0.05 0.07 2.20 -1.26 0.06 119.74 117.90 7i1b s LYS 94 Ca -0.04 -1.06 -0.10 0.00 -0.36 0.00 0.00 55.97 54.41 7i1b s LYS 94 Cb 0.11 -1.57 0.01 0.00 -1.51 0.00 0.00 37.83 34.87 7i1b s LYS 94 CO 0.39 0.39 0.22 -1.64 -0.36 0.00 0.00 175.35 174.34 7i1b s MET 95 N -1.47 0.76 0.82 4.03 -1.94 -1.26 -5.00 119.30 115.23 7i1b s MET 95 Ca 0.08 -0.68 -0.11 0.00 -1.71 0.00 0.00 55.69 53.27 7i1b s MET 95 Cb -0.09 0.31 0.08 0.00 2.01 0.00 0.00 34.83 37.14 7i1b s MET 95 CO 0.03 -0.23 1.09 -1.21 -0.01 0.00 0.00 175.02 174.69 7i1b s GLU 96 N -2.88 1.92 0.42 2.03 8.01 -1.26 -4.78 118.70 122.16 7i1b s GLU 96 Ca -0.03 0.89 0.10 0.00 0.01 0.00 0.00 54.97 55.95 7i1b s GLU 96 Cb 0.00 -1.88 0.94 0.00 -4.31 0.00 0.00 34.13 28.88 7i1b s GLU 96 CO -0.06 -1.80 2.02 0.87 0.01 0.00 0.00 175.26 176.30 7i1b h LYS 97 N -1.23 0.47 -0.97 1.61 1.79 -1.93 -1.13 116.57 115.19 7i1b h LYS 97 Ca -0.47 -0.03 0.09 0.00 -2.18 0.00 0.00 60.65 58.06 7i1b h LYS 97 Cb 1.26 -0.11 -0.07 0.00 -1.58 0.00 0.00 32.23 31.73 7i1b h LYS 97 CO 0.55 0.31 0.61 0.00 -1.08 0.00 0.00 179.45 179.85 7i1b h ARG 98 N 0.49 1.03 0.00 3.15 3.08 -1.91 -1.61 114.38 118.61 7i1b h ARG 98 Ca 0.22 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.21 7i1b h ARG 98 Cb 0.24 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.06 7i1b h ARG 98 CO -0.06 0.68 -0.66 1.19 -1.07 0.00 0.00 179.97 180.05 7i1b n PHE 99 N -4.58 0.01 -2.89 3.04 3.72 -0.64 -2.86 117.46 113.27 7i1b n PHE 99 Ca 0.16 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.14 7i1b n PHE 99 Cb 0.25 -0.19 -0.04 0.00 -0.94 0.00 0.00 39.48 38.56 7i1b n PHE 99 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 7i1b s VAL 100 N -3.01 4.67 -0.26 -4.37 1.01 -0.52 -4.28 120.40 113.64 7i1b s VAL 100 Ca 0.10 1.04 -0.02 0.00 0.00 0.00 0.00 61.98 63.09 7i1b s VAL 100 Cb 0.17 -4.26 0.03 0.00 0.00 0.00 0.00 36.38 32.31 7i1b s VAL 100 CO 0.75 -0.47 -0.04 -0.36 0.00 0.00 0.00 175.10 174.98 7i1b s PHE 101 N 3.26 3.10 -0.74 5.22 0.40 -0.86 -2.24 117.98 126.12 7i1b s PHE 101 Ca 0.34 -1.54 -0.26 0.00 -0.60 0.00 0.00 56.93 54.88 7i1b s PHE 101 Cb -0.13 -2.08 -0.03 0.00 0.51 0.00 0.00 43.02 41.29 7i1b s PHE 101 CO 0.17 -0.72 1.89 -0.80 0.70 0.00 0.00 175.22 176.46 7i1b s ASN 102 N 1.33 5.23 -0.40 1.36 0.01 -0.84 -2.32 114.94 119.31 7i1b s ASN 102 Ca -0.00 -0.12 -0.29 0.00 -0.71 0.00 0.00 52.86 51.74 7i1b s ASN 102 Cb -0.17 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 38.95 7i1b s ASN 102 CO -0.03 -2.53 1.50 -0.75 -1.51 0.00 0.00 177.10 173.77 7i1b s LYS 103 N 7.01 3.51 0.18 -0.60 2.20 -1.00 -2.59 119.74 128.45 7i1b s LYS 103 Ca 0.68 1.03 0.04 0.00 -0.36 0.00 0.00 55.97 57.36 7i1b s LYS 103 Cb -0.10 -4.07 -0.04 0.00 -1.51 0.00 0.00 37.83 32.12 7i1b s LYS 103 CO 0.11 -1.64 0.24 0.42 -0.36 0.00 0.00 175.35 174.12 7i1b s ILE 104 N 5.78 4.96 -0.13 5.43 1.01 0.65 -2.24 121.20 136.66 7i1b s ILE 104 Ca 0.65 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 60.35 7i1b s ILE 104 Cb -0.15 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 7i1b s ILE 104 CO 0.33 -0.17 -0.09 -1.61 0.00 0.00 0.00 174.94 173.40 7i1b s GLU 105 N -3.40 3.38 -0.31 2.79 8.01 -1.26 -0.71 118.70 127.21 7i1b s GLU 105 Ca 0.33 -0.61 -0.03 0.00 0.01 0.00 0.00 54.97 54.67 7i1b s GLU 105 Cb -0.10 -2.71 0.11 0.00 -4.31 0.00 0.00 34.13 27.12 7i1b s GLU 105 CO 0.27 0.29 0.15 0.42 0.01 0.00 0.00 175.26 176.40 7i1b s ILE 106 N 0.19 -0.00 -1.01 -1.63 -1.09 -0.28 -4.89 121.20 112.49 7i1b s ILE 106 Ca -0.05 -1.02 -0.02 0.00 -2.23 0.00 0.00 60.65 57.32 7i1b s ILE 106 Cb -0.15 -1.03 -0.02 0.00 -1.58 0.00 0.00 42.46 39.68 7i1b s ILE 106 CO 0.04 -0.80 0.86 -3.20 -1.23 0.00 0.00 174.94 170.61 7i1b n ASN 107 N 4.92 -3.68 0.00 3.58 2.85 -1.26 -1.78 115.26 119.89 7i1b n ASN 107 Ca -0.01 -0.58 0.00 0.00 -0.11 0.00 0.00 54.58 53.88 7i1b n ASN 107 Cb 0.41 -4.62 0.00 0.00 1.24 0.00 0.00 39.78 36.80 7i1b n ASN 107 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 7i1b n ASN 108 N -2.94 -2.82 -4.96 1.20 4.13 -1.26 -4.96 115.26 103.64 7i1b n ASN 108 Ca -0.18 0.00 -0.18 0.00 1.68 0.00 0.00 54.58 55.90 7i1b n ASN 108 Cb 0.63 -2.28 -0.00 0.00 -1.54 0.00 0.00 39.78 36.58 7i1b n ASN 108 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 7i1b s LYS 109 N -1.12 2.72 0.14 3.52 1.02 -0.73 -4.95 119.74 120.33 7i1b s LYS 109 Ca 0.00 -1.35 0.11 0.00 0.02 0.00 0.00 55.97 54.75 7i1b s LYS 109 Cb 0.00 -2.62 -0.04 0.00 -0.52 0.00 0.00 37.83 34.65 7i1b s LYS 109 CO 0.00 -0.26 -0.26 -0.51 -0.92 0.00 0.00 175.35 173.40 7i1b s LEU 110 N -4.28 2.34 -0.13 3.17 1.43 0.97 -1.13 118.68 121.05 7i1b s LEU 110 Ca 0.53 -0.76 -0.04 0.00 -1.03 0.00 0.00 54.13 52.82 7i1b s LEU 110 Cb -0.08 -1.20 0.06 0.00 0.03 0.00 0.00 46.19 45.00 7i1b s LEU 110 CO 0.31 0.17 0.15 -0.70 0.23 0.00 0.00 176.35 176.51 7i1b s GLU 111 N -2.14 0.07 -0.31 1.70 2.12 0.11 0.21 118.70 120.45 7i1b s GLU 111 Ca 0.15 0.31 -0.15 0.00 0.36 0.00 0.00 54.97 55.64 7i1b s GLU 111 Cb -0.10 -0.89 -0.02 0.00 0.26 0.00 0.00 34.13 33.38 7i1b s GLU 111 CO 0.06 -0.48 0.34 -0.06 -0.54 0.00 0.00 175.26 174.58 7i1b s PHE 112 N 2.26 3.22 -0.14 5.30 0.08 -1.26 -0.25 117.98 127.19 7i1b s PHE 112 Ca 0.04 0.12 -0.06 0.00 0.12 0.00 0.00 56.93 57.15 7i1b s PHE 112 Cb -0.14 -2.61 -0.04 0.00 -0.57 0.00 0.00 43.02 39.66 7i1b s PHE 112 CO -0.08 -0.34 0.07 -2.00 -0.10 0.00 0.00 175.22 172.77 7i1b s GLU 113 N 2.00 3.58 -0.41 0.44 2.12 -1.07 -2.28 118.70 123.08 7i1b s GLU 113 Ca 0.12 -0.29 -0.28 0.00 0.36 0.00 0.00 54.97 54.88 7i1b s GLU 113 Cb -0.16 -3.11 -0.02 0.00 0.26 0.00 0.00 34.13 31.10 7i1b s GLU 113 CO 0.11 0.54 1.86 0.45 -0.54 0.00 0.00 175.26 177.68 7i1b s SER 114 N -0.37 5.64 0.62 -1.70 0.15 -0.28 -1.98 113.70 115.77 7i1b s SER 114 Ca 0.09 1.06 0.23 0.00 0.70 0.00 0.00 55.95 58.03 7i1b s SER 114 Cb -0.12 -2.52 1.25 0.00 -1.71 0.00 0.00 66.02 62.91 7i1b s SER 114 CO 0.02 -1.95 1.69 0.00 1.20 0.00 0.00 173.24 174.19 7i1b h ALA 115 N 13.85 1.42 0.00 5.45 0.00 -1.61 0.10 119.26 138.46 7i1b h ALA 115 Ca -0.31 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 7i1b h ALA 115 Cb 1.17 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 7i1b h ALA 115 CO 1.09 -0.42 -0.11 0.37 0.00 0.00 0.00 179.25 180.18 7i1b h GLN 116 N 0.00 0.00 -3.59 0.00 4.15 -1.81 -3.42 115.11 110.44 7i1b h GLN 116 Ca 0.00 0.00 -0.69 0.00 0.77 0.00 0.00 58.65 58.73 7i1b h GLN 116 Cb 0.86 0.00 -0.36 0.00 0.21 0.00 0.00 27.48 28.19 7i1b h GLN 116 CO 0.00 0.78 -0.41 -0.06 -1.93 0.00 0.00 178.83 177.21 7i1b s PHE 117 N -2.10 3.39 0.70 3.99 0.08 0.01 -5.09 117.98 118.96 7i1b s PHE 117 Ca -0.16 -2.78 -0.16 0.00 0.12 0.00 0.00 56.93 53.95 7i1b s PHE 117 Cb -0.02 -3.15 0.01 0.00 -0.57 0.00 0.00 43.02 39.30 7i1b s PHE 117 CO 0.53 -0.83 1.20 -2.30 -0.10 0.00 0.00 175.22 173.72 7i1b n PRO 118 N 3.46 0.77 0.00 0.24 -0.02 -1.17 -2.20 135.00 136.07 7i1b n PRO 118 Ca 0.07 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 7i1b n PRO 118 Cb 0.37 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 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 -2.15 0.00 -4.40 2.55 3.02 -1.26 -4.99 115.26 108.03 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 -2.67 3.06 0.52 3.10 0.52 -0.94 -4.61 118.94 117.92 7i1b s TRP 120 Ca 0.00 -0.61 0.02 0.00 0.02 0.00 0.00 56.10 55.53 7i1b s TRP 120 Cb 0.00 -2.21 -0.00 0.00 -1.15 0.00 0.00 33.47 30.11 7i1b s TRP 120 CO 0.00 -0.43 0.08 0.71 0.02 0.00 0.00 176.95 177.33 7i1b s TYR 121 N 1.57 1.80 -0.19 -1.98 1.51 -0.85 -1.13 117.35 118.08 7i1b s TYR 121 Ca 0.06 -0.94 -0.22 0.00 -1.01 0.00 0.00 57.07 54.96 7i1b s TYR 121 Cb -0.15 -1.67 -0.02 0.00 -0.11 0.00 0.00 41.96 40.01 7i1b s TYR 121 CO 0.02 0.08 0.67 0.42 -1.11 0.00 0.00 175.55 175.64 7i1b s ILE 122 N -2.86 4.99 0.22 2.71 1.01 -0.97 -1.39 121.20 124.91 7i1b s ILE 122 Ca 0.11 1.29 0.05 0.00 0.00 0.00 0.00 60.65 62.09 7i1b s ILE 122 Cb 0.01 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 7i1b s ILE 122 CO 0.06 0.09 -0.06 -0.44 0.00 0.00 0.00 174.94 174.60 7i1b s SER 123 N 1.18 2.09 0.14 3.58 0.01 -0.52 -4.49 113.70 115.69 7i1b s SER 123 Ca 0.31 -1.14 0.04 0.00 1.31 0.00 0.00 55.95 56.48 7i1b s SER 123 Cb -0.16 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 65.98 7i1b s SER 123 CO 0.11 -0.39 -0.10 0.42 0.41 0.00 0.00 173.24 173.68 7i1b s THR 124 N -3.27 1.16 -0.24 1.44 -4.23 -0.79 -2.63 115.64 107.08 7i1b s THR 124 Ca 0.25 -2.01 -0.19 0.00 -1.18 0.00 0.00 61.69 58.55 7i1b s THR 124 Cb 0.04 -1.79 -0.02 0.00 1.34 0.00 0.00 72.50 72.06 7i1b s THR 124 CO 0.07 -0.72 0.58 -0.55 -0.54 0.00 0.00 174.62 173.47 7i1b s SER 125 N -3.08 6.55 0.55 3.99 0.15 -1.26 -2.70 113.70 117.90 7i1b s SER 125 Ca 0.15 0.67 0.38 0.00 0.70 0.00 0.00 55.95 57.86 7i1b s SER 125 Cb 0.02 -2.32 1.57 0.00 -1.71 0.00 0.00 66.02 63.58 7i1b s SER 125 CO 0.01 -0.31 1.77 -0.61 1.20 0.00 0.00 173.24 175.30 7i1b h GLN 126 N 7.80 0.00 -6.63 5.44 4.15 -1.97 -3.41 115.11 120.49 7i1b h GLN 126 Ca -0.29 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 58.61 7i1b h GLN 126 Cb 1.14 0.00 0.22 0.00 0.21 0.00 0.00 27.48 29.05 7i1b h GLN 126 CO 0.75 0.00 -0.90 0.00 -1.93 0.00 0.00 178.83 176.75 7i1b n ALA 127 N -2.77 -3.35 -2.30 3.38 0.00 -1.26 -4.93 120.51 109.27 7i1b n ALA 127 Ca 0.28 -0.73 -0.38 0.00 0.00 0.00 0.00 53.44 52.61 7i1b n ALA 127 Cb 1.34 -1.63 -0.06 0.00 0.00 0.00 0.00 19.45 19.10 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 -3.31 4.13 -0.51 0.00 8.01 -1.26 -4.53 118.70 121.23 7i1b s GLU 128 Ca 0.53 0.66 -0.14 0.00 0.01 0.00 0.00 54.97 56.04 7i1b s GLU 128 Cb -0.19 -3.16 0.02 0.00 -4.31 0.00 0.00 34.13 26.49 7i1b s GLU 128 CO 0.70 0.60 0.63 -1.71 0.01 0.00 0.00 175.26 175.49 7i1b n ASN 129 N 1.49 -7.68 -3.78 -0.19 4.05 -1.25 -5.05 115.26 102.84 7i1b n ASN 129 Ca -0.09 0.31 -0.13 0.00 0.45 0.00 0.00 54.58 55.12 7i1b n ASN 129 Cb 0.51 -5.03 -0.13 0.00 1.23 0.00 0.00 39.78 36.37 7i1b n ASN 129 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 177.26 174.17 7i1b s MET 130 N -2.75 0.20 0.51 1.20 -1.94 -1.26 -5.02 119.30 110.25 7i1b s MET 130 Ca 0.20 0.33 -0.23 0.00 -1.71 0.00 0.00 55.69 54.28 7i1b s MET 130 Cb -0.05 0.03 -0.06 0.00 2.01 0.00 0.00 34.83 36.76 7i1b s MET 130 CO 0.78 -0.07 1.34 -1.25 -0.01 0.00 0.00 175.02 175.81 7i1b s PRO 131 N 0.45 3.35 0.69 2.03 0.04 -1.26 -2.66 135.00 137.64 7i1b s PRO 131 Ca -0.03 2.20 -0.11 0.00 0.04 0.00 0.00 61.00 63.10 7i1b s PRO 131 Cb -0.04 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.13 7i1b s PRO 131 CO -0.02 -1.01 1.06 0.08 0.04 0.00 0.00 177.00 177.15 7i1b s VAL 132 N -1.32 4.02 0.23 -0.36 1.01 -1.01 -4.69 120.40 118.28 7i1b s VAL 132 Ca 0.68 0.66 -0.20 0.00 0.00 0.00 0.00 61.98 63.11 7i1b s VAL 132 Cb -0.39 -3.52 0.07 0.00 0.00 0.00 0.00 36.38 32.54 7i1b s VAL 132 CO 0.47 -0.86 0.99 2.22 0.00 0.00 0.00 175.10 177.93 7i1b n PHE 133 N -3.03 -1.57 -3.72 5.22 -1.74 -1.08 -4.87 117.46 106.66 7i1b n PHE 133 Ca 0.07 -1.40 -0.36 0.00 -0.56 0.00 0.00 57.45 55.20 7i1b n PHE 133 Cb 0.55 0.69 -0.09 0.00 1.52 0.00 0.00 39.48 42.15 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 4.12 0.11 5.98 2.96 -1.26 -1.44 118.68 129.15 7i1b s LEU 134 Ca 0.22 0.16 0.05 0.00 -0.22 0.00 0.00 54.13 54.34 7i1b s LEU 134 Cb -0.03 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 7i1b s LEU 134 CO 0.07 0.13 -0.13 -0.83 -1.32 0.00 0.00 176.35 174.26 7i1b s GLY 135 N 0.68 1.00 -0.72 7.98 0.00 -0.49 -4.61 107.32 111.16 7i1b s GLY 135 Ca 0.07 -1.23 0.01 0.00 0.00 0.00 0.00 44.72 43.57 7i1b s GLY 135 CO 0.01 -1.28 1.66 0.61 0.00 0.00 0.00 173.10 174.10 7i1b n GLY 136 N 0.65 5.74 2.54 0.20 0.00 -1.26 -2.01 105.19 111.04 7i1b n GLY 136 Ca -0.16 -2.60 -0.29 0.00 0.00 0.00 0.00 46.02 42.97 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 -5.13 0.33 0.04 2.61 2.01 -1.26 -5.01 115.64 109.22 7i1b s THR 137 Ca 0.49 -1.58 -0.30 0.00 0.31 0.00 0.00 61.69 60.61 7i1b s THR 137 Cb 0.40 -1.26 -0.08 0.00 0.01 0.00 0.00 72.50 71.57 7i1b s THR 137 CO -0.31 -0.89 1.69 -0.75 -0.69 0.00 0.00 174.62 173.67 7i1b s LYS 138 N 1.25 4.19 6.39 4.92 2.20 -1.26 -4.65 119.74 132.78 7i1b s LYS 138 Ca 0.15 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 58.09 7i1b s LYS 138 Cb -0.21 -3.74 0.00 0.00 -1.51 0.00 0.00 37.83 32.36 7i1b s LYS 138 CO -0.10 -0.78 0.00 0.41 -0.36 0.00 0.00 175.35 174.52 7i1b n GLY 139 N 4.08 3.91 7.00 5.54 0.00 -1.26 -4.83 105.19 119.63 7i1b n GLY 139 Ca 0.17 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 4.05 0.01 -0.02 0.00 -1.26 -1.97 105.19 105.99 7i1b n GLY 140 Ca 0.00 0.19 0.09 0.00 0.00 0.00 0.00 46.02 46.30 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 12.91 0.63 -3.41 1.61 0.00 -1.26 -4.96 117.38 122.90 7i1b n GLN 141 Ca 0.00 -0.14 -0.35 0.00 -0.00 0.00 0.00 57.00 56.51 7i1b n GLN 141 Cb 0.00 -1.40 -0.06 0.00 0.00 0.00 0.00 30.24 28.79 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 -3.83 6.79 -0.69 1.69 1.11 -0.83 -4.76 116.67 116.15 7i1b s ASP 142 Ca -0.05 1.02 -0.22 0.00 0.18 0.00 0.00 52.55 53.47 7i1b s ASP 142 Cb 0.11 -2.26 0.07 0.00 1.07 0.00 0.00 42.92 41.91 7i1b s ASP 142 CO 0.71 0.13 0.99 -0.63 1.18 0.00 0.00 175.17 177.56 7i1b s ILE 143 N -1.42 4.34 -0.13 0.77 1.01 -1.10 -4.16 121.20 120.51 7i1b s ILE 143 Ca 0.36 -0.46 0.18 0.00 0.00 0.00 0.00 60.65 60.74 7i1b s ILE 143 Cb -0.15 -4.70 -0.20 0.00 0.01 0.00 0.00 42.46 37.42 7i1b s ILE 143 CO 0.19 -1.48 0.59 0.35 0.00 0.00 0.00 174.94 174.59 7i1b n THR 144 N 5.91 0.97 -1.21 2.92 -2.24 -1.26 -1.89 114.28 117.48 7i1b n THR 144 Ca -0.01 -0.68 -0.30 0.00 -2.27 0.00 0.00 64.05 60.79 7i1b n THR 144 Cb 0.46 -0.51 0.14 0.00 -2.10 0.00 0.00 70.33 68.32 7i1b n THR 144 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 7i1b s ASP 145 N -5.44 3.47 0.26 3.42 1.47 -1.26 -4.60 116.67 113.99 7i1b s ASP 145 Ca -0.05 1.48 -0.07 0.00 1.18 0.00 0.00 52.55 55.09 7i1b s ASP 145 Cb 0.09 -2.16 0.03 0.00 -0.34 0.00 0.00 42.92 40.54 7i1b s ASP 145 CO 0.83 -2.64 0.47 0.49 0.68 0.00 0.00 175.17 175.01 7i1b n PHE 146 N -3.88 -1.65 -3.59 2.11 3.72 0.13 -4.35 117.46 109.94 7i1b n PHE 146 Ca 0.07 -1.41 -0.09 0.00 -0.05 0.00 0.00 57.45 55.98 7i1b n PHE 146 Cb 0.55 0.55 -0.09 0.00 -0.94 0.00 0.00 39.48 39.55 7i1b n PHE 146 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 7i1b s THR 147 N -2.50 -0.64 0.26 4.37 -4.23 0.41 -0.02 115.64 113.29 7i1b s THR 147 Ca 0.14 0.12 -0.04 0.00 -1.18 0.00 0.00 61.69 60.74 7i1b s THR 147 Cb -0.02 -0.69 -0.05 0.00 1.34 0.00 0.00 72.50 73.07 7i1b s THR 147 CO 0.10 0.03 0.51 -0.32 -0.54 0.00 0.00 174.62 174.41 7i1b s MET 148 N 2.60 3.61 -0.15 3.99 1.75 -1.26 -1.53 119.30 128.32 7i1b s MET 148 Ca 0.01 -0.06 -0.01 0.00 -1.25 0.00 0.00 55.69 54.38 7i1b s MET 148 Cb -0.13 -2.70 0.04 0.00 2.84 0.00 0.00 34.83 34.88 7i1b s MET 148 CO -0.13 0.27 -0.05 -1.14 -0.65 0.00 0.00 175.02 173.32 7i1b s GLN 149 N -3.44 1.31 -0.07 4.11 0.74 -1.00 -4.99 119.66 116.32 7i1b s GLN 149 Ca 0.43 -0.38 -0.30 0.00 0.05 0.00 0.00 55.36 55.16 7i1b s GLN 149 Cb -0.11 -1.81 -0.04 0.00 1.10 0.00 0.00 33.01 32.15 7i1b s GLN 149 CO 0.29 -0.40 1.47 -0.06 -0.55 0.00 0.00 175.29 176.04 7i1b s PHE 150 N 1.70 2.48 0.46 1.67 0.40 -1.26 -2.43 117.98 121.01 7i1b s PHE 150 Ca 0.02 0.61 0.07 0.00 -0.60 0.00 0.00 56.93 57.04 7i1b s PHE 150 Cb -0.14 -3.72 0.01 0.00 0.51 0.00 0.00 43.02 39.67 7i1b s PHE 150 CO -0.08 -2.82 0.45 0.14 0.70 0.00 0.00 175.22 173.61 7i1b s VAL 151 N 3.42 2.42 0.32 -0.44 -7.23 -1.04 -5.00 120.40 112.85 7i1b s VAL 151 Ca 0.65 -1.31 -0.04 0.00 -1.81 0.00 0.00 61.98 59.48 7i1b s VAL 151 Cb -0.29 -2.73 -0.00 0.00 0.56 0.00 0.00 36.38 33.92 7i1b s VAL 151 CO 0.24 0.00 0.45 -0.44 -0.31 0.00 0.00 175.10 175.04 7i1b s SER 152 N -4.24 0.72 0.00 4.85 0.01 -1.26 -4.78 113.70 109.00 7i1b s SER 152 Ca 0.47 -1.40 0.00 0.00 1.31 0.00 0.00 55.95 56.33 7i1b s SER 152 Cb -0.04 0.63 0.00 0.00 0.21 0.00 0.00 66.02 66.83 7i1b s SER 152 CO 0.28 -1.24 0.00 -1.20 0.41 0.00 0.00 173.24 171.49