#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 0.83 -2.91 0.00 -0.04 -1.26 -4.75 135.00 126.87 7i1b n PRO 2 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 7i1b n PRO 2 Cb 0.00 -1.09 -0.02 0.00 -0.04 0.00 0.00 33.50 32.35 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 0.71 0.00 -3.69 0.52 0.24 -1.26 -4.90 118.33 109.95 7i1b n VAL 3 Ca 0.00 -0.85 -0.27 0.00 -2.04 0.00 0.00 64.34 61.18 7i1b n VAL 3 Cb 0.41 0.22 -0.17 0.00 -1.47 0.00 0.00 33.84 32.84 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 -2.61 0.45 0.37 7.34 0.52 -1.26 -5.10 118.95 118.66 7i1b s ARG 4 Ca 0.03 -0.33 -0.01 0.00 -0.52 0.00 0.00 55.73 54.90 7i1b s ARG 4 Cb 0.00 -2.00 -0.03 0.00 0.52 0.00 0.00 34.95 33.44 7i1b s ARG 4 CO 0.02 -0.67 0.59 -1.12 0.02 0.00 0.00 175.30 174.15 7i1b s SER 5 N 1.95 6.29 -0.09 0.23 0.01 -1.26 -3.42 113.70 117.41 7i1b s SER 5 Ca 0.00 0.55 -0.03 0.00 1.31 0.00 0.00 55.95 57.79 7i1b s SER 5 Cb -0.17 -2.08 0.04 0.00 0.21 0.00 0.00 66.02 64.03 7i1b s SER 5 CO -0.09 -0.35 0.06 -0.76 0.41 0.00 0.00 173.24 172.51 7i1b s LEU 6 N -4.37 0.29 -0.11 2.44 1.02 0.19 -4.96 118.68 113.17 7i1b s LEU 6 Ca 0.41 -0.19 -0.30 0.00 0.02 0.00 0.00 54.13 54.08 7i1b s LEU 6 Cb -0.10 -0.22 -0.03 0.00 0.02 0.00 0.00 46.19 45.87 7i1b s LEU 6 CO 0.38 -0.28 1.30 0.20 0.02 0.00 0.00 176.35 177.97 7i1b s ASN 7 N 2.13 6.93 0.01 2.29 0.02 -1.26 -0.97 114.94 124.09 7i1b s ASN 7 Ca 0.04 1.82 -0.20 0.00 -1.02 0.00 0.00 52.86 53.49 7i1b s ASN 7 Cb -0.13 -2.54 0.04 0.00 0.02 0.00 0.00 41.25 38.63 7i1b s ASN 7 CO -0.05 -0.74 0.45 0.00 0.02 0.00 0.00 177.10 176.78 7i1b s THR 9 N -1.87 3.20 -0.08 0.00 -4.23 -0.99 -1.71 115.64 109.96 7i1b s THR 9 Ca -0.09 -0.96 0.02 0.00 -1.18 0.00 0.00 61.69 59.48 7i1b s THR 9 Cb -0.02 -3.09 0.01 0.00 1.34 0.00 0.00 72.50 70.75 7i1b s THR 9 CO 0.02 -0.04 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.16 7i1b s LEU 10 N -4.35 1.73 0.05 4.79 1.43 -1.26 -2.45 118.68 118.62 7i1b s LEU 10 Ca 0.53 -0.36 0.07 0.00 -1.03 0.00 0.00 54.13 53.34 7i1b s LEU 10 Cb -0.10 -0.97 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 7i1b s LEU 10 CO 0.33 0.05 -0.20 -0.13 0.23 0.00 0.00 176.35 176.63 7i1b s ARG 11 N 0.66 1.31 0.67 1.70 0.52 -0.14 -3.44 118.95 120.23 7i1b s ARG 11 Ca -0.14 -0.96 -0.11 0.00 -0.52 0.00 0.00 55.73 54.00 7i1b s ARG 11 Cb -0.16 -1.43 0.15 0.00 0.52 0.00 0.00 34.95 34.03 7i1b s ARG 11 CO 0.04 0.36 0.91 -0.40 0.02 0.00 0.00 175.30 176.23 7i1b n ASP 12 N 1.74 0.12 0.20 0.23 5.75 -0.56 0.13 116.55 124.17 7i1b n ASP 12 Ca -0.18 -1.36 0.14 0.00 -0.01 0.00 0.00 54.79 53.39 7i1b n ASP 12 Cb 0.53 -0.69 0.56 0.00 -1.03 0.00 0.00 41.12 40.49 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 -1.17 0.00 -0.18 -1.12 4.64 -1.87 -2.41 113.55 111.45 7i1b h SER 13 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 7i1b h SER 13 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 7i1b h SER 13 CO 0.21 0.00 0.00 1.67 -0.87 0.00 0.00 176.83 177.84 7i1b n GLN 14 N -2.65 1.85 -0.83 4.77 -0.06 -1.26 -4.89 117.38 114.31 7i1b n GLN 14 Ca 0.02 -1.28 0.00 0.00 -2.00 0.00 0.00 57.00 53.74 7i1b n GLN 14 Cb 0.29 -1.42 0.00 0.00 -4.06 0.00 0.00 30.24 25.05 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 0.51 0.00 -1.47 3.69 7.27 -0.91 -5.03 117.38 121.44 7i1b n GLN 15 Ca 0.17 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.94 7i1b n GLN 15 Cb 0.38 -2.23 0.09 0.00 2.41 0.00 0.00 30.24 30.90 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 -0.17 2.12 0.39 3.69 1.02 -1.26 -4.76 119.74 120.76 7i1b s LYS 16 Ca 0.00 0.78 0.08 0.00 0.02 0.00 0.00 55.97 56.85 7i1b s LYS 16 Cb 0.00 -1.91 -0.07 0.00 -0.52 0.00 0.00 37.83 35.33 7i1b s LYS 16 CO 0.00 -1.63 -0.01 -1.12 -0.92 0.00 0.00 175.35 171.67 7i1b s SER 17 N -3.75 3.89 -0.06 2.83 0.01 -1.03 -1.49 113.70 114.10 7i1b s SER 17 Ca 0.61 -1.29 -0.06 0.00 1.31 0.00 0.00 55.95 56.52 7i1b s SER 17 Cb -0.15 -0.40 -0.04 0.00 0.21 0.00 0.00 66.02 65.64 7i1b s SER 17 CO 0.55 -0.38 0.19 -0.76 0.41 0.00 0.00 173.24 173.25 7i1b s LEU 18 N -3.69 4.38 -0.01 2.44 1.43 -1.22 -2.13 118.68 119.87 7i1b s LEU 18 Ca 0.35 0.46 0.03 0.00 -1.03 0.00 0.00 54.13 53.94 7i1b s LEU 18 Cb 0.07 -2.38 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 7i1b s LEU 18 CO 0.18 0.33 -0.10 0.68 0.23 0.00 0.00 176.35 177.66 7i1b s VAL 19 N -1.18 0.85 -1.11 -1.59 -7.23 0.13 -2.46 120.40 107.80 7i1b s VAL 19 Ca 0.22 -0.44 -0.21 0.00 -1.81 0.00 0.00 61.98 59.73 7i1b s VAL 19 Cb -0.13 -0.72 0.05 0.00 0.56 0.00 0.00 36.38 36.14 7i1b s VAL 19 CO 0.12 0.25 1.60 0.00 -0.31 0.00 0.00 175.10 176.75 7i1b s MET 20 N -0.12 3.62 0.02 4.82 0.23 -1.26 -0.26 119.30 126.35 7i1b s MET 20 Ca 0.02 -1.37 0.21 0.00 -1.03 0.00 0.00 55.69 53.52 7i1b s MET 20 Cb -0.06 -5.40 0.88 0.00 -1.53 0.00 0.00 34.83 28.72 7i1b s MET 20 CO -0.00 -2.37 1.66 0.45 -2.03 0.00 0.00 175.02 172.73 7i1b n SER 21 N 9.25 0.07 -2.99 -1.18 2.88 -1.16 -4.86 113.62 115.64 7i1b n SER 21 Ca 0.39 0.51 -0.08 0.00 -1.33 0.00 0.00 58.87 58.37 7i1b n SER 21 Cb 0.49 -0.53 0.02 0.00 -0.75 0.00 0.00 64.21 63.44 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 -3.06 0.33 0.04 0.46 0.00 -1.08 -4.98 107.32 99.03 7i1b s GLY 22 Ca 0.10 -0.69 -0.24 0.00 0.00 0.00 0.00 44.72 43.89 7i1b s GLY 22 CO 0.38 0.13 1.36 -2.55 0.00 0.00 0.00 173.10 172.42 7i1b h PRO 23 N 2.00 -0.79 -0.84 2.90 0.11 -2.02 -3.18 132.00 130.19 7i1b h PRO 23 Ca -0.32 0.05 -0.50 0.00 0.11 0.00 0.00 66.00 65.35 7i1b h PRO 23 Cb 1.24 0.18 -0.27 0.00 0.11 0.00 0.00 31.00 32.26 7i1b h PRO 23 CO 0.40 -0.52 0.43 0.66 -0.21 0.00 0.00 178.00 178.75 7i1b n TYR 24 N -4.30 2.66 -4.01 0.65 4.01 -1.26 -4.94 117.16 109.96 7i1b n TYR 24 Ca -0.10 -2.19 -0.13 0.00 -0.16 0.00 0.00 57.90 55.32 7i1b n TYR 24 Cb 0.33 -0.95 -0.13 0.00 -0.31 0.00 0.00 39.34 38.28 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 -3.48 0.26 0.08 -0.72 2.02 -1.20 -4.53 118.70 111.13 7i1b s GLU 25 Ca 0.56 -0.24 0.03 0.00 0.02 0.00 0.00 54.97 55.34 7i1b s GLU 25 Cb 0.47 -0.17 -0.03 0.00 0.10 0.00 0.00 34.13 34.49 7i1b s GLU 25 CO 0.04 0.04 -0.09 -0.51 0.02 0.00 0.00 175.26 174.76 7i1b s LEU 26 N -0.43 2.38 0.00 1.80 1.43 -1.26 -2.64 118.68 119.97 7i1b s LEU 26 Ca -0.03 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.30 7i1b s LEU 26 Cb -0.03 -0.25 -0.00 0.00 0.03 0.00 0.00 46.19 45.94 7i1b s LEU 26 CO -0.00 -0.27 -0.02 -0.54 0.23 0.00 0.00 176.35 175.75 7i1b s LYS 27 N -2.65 0.15 -0.25 1.70 1.02 0.64 -2.26 119.74 118.08 7i1b s LYS 27 Ca 0.03 -0.13 -0.08 0.00 0.02 0.00 0.00 55.97 55.81 7i1b s LYS 27 Cb -0.03 -0.09 -0.03 0.00 -0.52 0.00 0.00 37.83 37.15 7i1b s LYS 27 CO -0.01 0.02 0.09 0.00 -0.92 0.00 0.00 175.35 174.54 7i1b s ALA 28 N -0.23 3.23 0.37 5.17 0.00 -1.07 0.19 121.76 129.42 7i1b s ALA 28 Ca -0.02 -1.12 -0.16 0.00 0.00 0.00 0.00 51.96 50.67 7i1b s ALA 28 Cb -0.02 -2.15 0.06 0.00 0.00 0.00 0.00 23.12 21.01 7i1b s ALA 28 CO -0.00 -0.49 0.83 -0.48 0.00 0.00 0.00 175.76 175.61 7i1b s LEU 29 N 1.63 0.03 -0.07 0.00 0.05 -0.90 -4.02 118.68 115.39 7i1b s LEU 29 Ca 0.06 -1.15 -0.30 0.00 0.05 0.00 0.00 54.13 52.80 7i1b s LEU 29 Cb -0.15 2.78 -0.03 0.00 -2.05 0.00 0.00 46.19 46.73 7i1b s LEU 29 CO 0.05 -1.65 1.22 -1.00 -0.55 0.00 0.00 176.35 174.42 7i1b s HIS 30 N -2.12 3.12 -0.10 3.48 3.76 -1.26 -2.46 115.29 119.71 7i1b s HIS 30 Ca 0.17 1.17 0.02 0.00 -0.15 0.00 0.00 55.06 56.26 7i1b s HIS 30 Cb -0.05 -3.44 0.01 0.00 1.11 0.00 0.00 32.58 30.21 7i1b s HIS 30 CO 0.11 -1.42 -0.15 -1.17 -0.85 0.00 0.00 174.74 171.27 7i1b s LEU 31 N 2.43 1.70 0.07 0.89 2.96 -1.26 -5.00 118.68 120.47 7i1b s LEU 31 Ca 0.56 -0.41 -0.26 0.00 -0.22 0.00 0.00 54.13 53.80 7i1b s LEU 31 Cb -0.24 -1.05 0.07 0.00 0.50 0.00 0.00 46.19 45.47 7i1b s LEU 31 CO 0.21 0.02 0.65 -1.58 -1.32 0.00 0.00 176.35 174.33 7i1b s GLN 32 N 0.95 1.16 1.32 1.98 0.74 -1.26 -4.88 119.66 119.66 7i1b s GLN 32 Ca -0.08 -0.20 0.00 0.00 0.05 0.00 0.00 55.36 55.13 7i1b s GLN 32 Cb -0.15 0.54 0.00 0.00 1.10 0.00 0.00 33.01 34.50 7i1b s GLN 32 CO -0.01 -0.46 0.00 0.41 -0.55 0.00 0.00 175.29 174.68 7i1b n GLY 33 N 0.09 -1.67 0.36 2.59 0.00 -1.26 -3.99 105.19 101.31 7i1b n GLY 33 Ca -0.17 -1.53 0.14 0.00 0.00 0.00 0.00 46.02 44.46 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 0.33 0.00 1.61 3.07 -2.05 0.46 115.11 118.53 7i1b h GLN 34 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 7i1b h GLN 34 Cb 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 27.49 7i1b h GLN 34 CO 0.00 0.22 0.00 -3.47 0.09 0.00 0.00 178.83 175.67 7i1b n ASP 35 N -4.46 0.00 0.15 0.06 -0.08 -1.26 -2.23 116.55 108.73 7i1b n ASP 35 Ca 0.11 -0.31 -0.00 0.00 -1.51 0.00 0.00 54.79 53.07 7i1b n ASP 35 Cb 0.44 -0.01 0.23 0.00 2.34 0.00 0.00 41.12 44.12 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 0.02 0.00 -0.67 4.05 -0.23 -2.50 114.93 115.60 7i1b h MET 36 Ca 0.00 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 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 0.55 0.01 -0.85 0.23 0.00 0.00 176.91 176.84 7i1b n GLU 37 N -3.91 0.00 -0.53 0.39 0.28 -0.95 -1.25 120.64 114.67 7i1b n GLU 37 Ca -0.01 0.46 -0.04 0.00 -0.16 0.00 0.00 57.16 57.41 7i1b n GLU 37 Cb 0.55 -1.51 0.15 0.00 1.43 0.00 0.00 31.44 32.06 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 -1.46 2.34 -3.10 3.44 6.02 -0.94 -4.90 117.38 118.77 7i1b n GLN 38 Ca 0.00 -1.56 -0.37 0.00 -0.01 0.00 0.00 57.00 55.06 7i1b n GLN 38 Cb 0.01 -1.75 -0.06 0.00 1.02 0.00 0.00 30.24 29.46 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 -1.78 4.30 0.43 -1.09 0.00 -0.38 -4.15 119.66 117.00 7i1b s GLN 39 Ca 0.28 0.90 -0.08 0.00 -0.00 0.00 0.00 55.36 56.46 7i1b s GLN 39 Cb 0.23 -3.01 -0.05 0.00 0.00 0.00 0.00 33.01 30.18 7i1b s GLN 39 CO 0.07 0.47 0.77 0.08 0.00 0.00 0.00 175.29 176.67 7i1b s VAL 40 N -1.39 4.85 -0.17 3.63 1.01 -1.03 -4.91 120.40 122.38 7i1b s VAL 40 Ca 0.40 0.43 -0.04 0.00 0.00 0.00 0.00 61.98 62.76 7i1b s VAL 40 Cb -0.18 -3.79 0.06 0.00 0.00 0.00 0.00 36.38 32.47 7i1b s VAL 40 CO 0.22 -0.66 0.07 -0.69 0.00 0.00 0.00 175.10 174.04 7i1b s VAL 41 N -2.52 0.14 0.01 2.92 1.01 -1.26 -4.66 120.40 116.03 7i1b s VAL 41 Ca 0.49 -0.29 -0.09 0.00 0.00 0.00 0.00 61.98 62.09 7i1b s VAL 41 Cb -0.10 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 7i1b s VAL 41 CO 0.37 -0.24 0.31 -0.36 0.00 0.00 0.00 175.10 175.19 7i1b s PHE 42 N 2.03 3.61 -0.75 5.22 0.40 -0.69 -2.81 117.98 124.99 7i1b s PHE 42 Ca 0.01 0.70 -0.15 0.00 -0.60 0.00 0.00 56.93 56.89 7i1b s PHE 42 Cb -0.16 -2.08 0.19 0.00 0.51 0.00 0.00 43.02 41.47 7i1b s PHE 42 CO -0.08 0.61 0.72 0.45 0.70 0.00 0.00 175.22 177.62 7i1b s SER 43 N -1.50 6.59 0.67 1.36 0.15 0.11 -1.19 113.70 119.89 7i1b s SER 43 Ca 0.26 -2.38 -0.14 0.00 0.70 0.00 0.00 55.95 54.39 7i1b s SER 43 Cb -0.14 -2.22 0.01 0.00 -1.71 0.00 0.00 66.02 61.95 7i1b s SER 43 CO 0.14 -0.69 1.10 -0.32 1.20 0.00 0.00 173.24 174.67 7i1b s MET 44 N 0.76 2.76 -0.15 5.44 1.75 -0.14 -2.61 119.30 127.11 7i1b s MET 44 Ca 0.15 1.33 -0.06 0.00 -1.25 0.00 0.00 55.69 55.85 7i1b s MET 44 Cb -0.15 -1.95 0.07 0.00 2.84 0.00 0.00 34.83 35.63 7i1b s MET 44 CO -0.05 -1.27 0.33 -1.12 -0.65 0.00 0.00 175.02 172.26 7i1b s SER 45 N -2.76 -0.12 -0.26 1.11 0.01 -0.40 0.55 113.70 111.83 7i1b s SER 45 Ca 0.66 0.76 -0.29 0.00 1.31 0.00 0.00 55.95 58.38 7i1b s SER 45 Cb -0.19 0.84 -0.01 0.00 0.21 0.00 0.00 66.02 66.86 7i1b s SER 45 CO 0.44 -0.21 1.50 -0.36 0.41 0.00 0.00 173.24 175.01 7i1b s PHE 46 N 2.03 2.32 0.60 2.43 0.08 -1.22 -0.44 117.98 123.77 7i1b s PHE 46 Ca -0.04 0.67 0.10 0.00 0.12 0.00 0.00 56.93 57.77 7i1b s PHE 46 Cb -0.11 -3.97 0.10 0.00 -0.57 0.00 0.00 43.02 38.46 7i1b s PHE 46 CO -0.11 -2.46 0.80 0.14 -0.10 0.00 0.00 175.22 173.50 7i1b s VAL 47 N 4.96 1.98 0.51 -0.44 -7.23 -1.02 -4.62 120.40 114.55 7i1b s VAL 47 Ca 0.66 -1.03 -0.20 0.00 -1.81 0.00 0.00 61.98 59.60 7i1b s VAL 47 Cb -0.21 -2.01 -0.07 0.00 0.56 0.00 0.00 36.38 34.64 7i1b s VAL 47 CO 0.27 0.00 1.10 -1.58 -0.31 0.00 0.00 175.10 174.58 7i1b s GLN 48 N -4.69 3.56 0.00 4.82 0.74 0.48 -4.83 119.66 119.74 7i1b s GLN 48 Ca 0.61 1.53 0.00 0.00 0.05 0.00 0.00 55.36 57.55 7i1b s GLN 48 Cb -0.05 -2.07 0.00 0.00 1.10 0.00 0.00 33.01 31.99 7i1b s GLN 48 CO 0.39 -0.66 0.00 0.41 -0.55 0.00 0.00 175.29 174.88 7i1b n GLY 49 N 0.03 0.79 3.50 2.59 0.00 -1.26 -4.85 105.19 105.99 7i1b n GLY 49 Ca 0.10 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.24 0.66 -2.37 1.61 1.02 -1.26 -4.79 120.64 114.27 7i1b n GLU 50 Ca 0.00 0.07 -0.42 0.00 -0.02 0.00 0.00 57.16 56.80 7i1b n GLU 50 Cb 0.00 -2.47 -0.01 0.00 -0.02 0.00 0.00 31.44 28.94 7i1b n GLU 50 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 7i1b n GLU 51 N 8.59 2.97 -0.49 3.49 4.71 -1.26 -4.68 120.64 133.97 7i1b n GLU 51 Ca 0.49 -3.07 0.00 0.00 -0.01 0.00 0.00 57.16 54.57 7i1b n GLU 51 Cb 0.27 -3.47 0.00 0.00 -1.01 0.00 0.00 31.44 27.23 7i1b n GLU 51 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 7i1b n SER 52 N 8.51 0.00 -0.02 1.62 2.88 -1.22 -5.05 113.62 120.35 7i1b n SER 52 Ca 0.49 -0.66 -0.22 0.00 -1.33 0.00 0.00 58.87 57.16 7i1b n SER 52 Cb 0.45 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.78 7i1b n SER 52 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 7i1b h ASN 53 N 0.00 0.30 0.00 -3.46 -0.00 -2.01 -3.43 115.58 106.98 7i1b h ASN 53 Ca 0.00 -0.81 -0.12 0.00 -0.00 0.00 0.00 56.30 55.37 7i1b h ASN 53 Cb 0.00 -0.10 -0.02 0.00 -0.00 0.00 0.00 38.32 38.21 7i1b h ASN 53 CO 0.00 1.72 -1.00 0.47 -0.00 0.00 0.00 177.43 178.62 7i1b n ASP 54 N -3.82 1.85 -4.59 1.15 8.00 -1.26 -4.80 116.55 113.08 7i1b n ASP 54 Ca -0.31 0.50 -0.42 0.00 0.71 0.00 0.00 54.79 55.28 7i1b n ASP 54 Cb 0.92 -0.88 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 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 -2.39 3.13 -0.60 -1.24 -0.14 -1.26 -4.02 119.74 113.23 7i1b s LYS 55 Ca -0.23 1.38 0.04 0.00 -1.36 0.00 0.00 55.97 55.80 7i1b s LYS 55 Cb 0.05 -4.27 0.15 0.00 -1.68 0.00 0.00 37.83 32.08 7i1b s LYS 55 CO 0.39 -2.10 0.37 0.42 -0.76 0.00 0.00 175.35 173.67 7i1b s ILE 56 N 7.70 2.65 -0.01 2.17 1.01 -0.85 -3.39 121.20 130.48 7i1b s ILE 56 Ca 0.82 -3.73 -0.30 0.00 0.00 0.00 0.00 60.65 57.44 7i1b s ILE 56 Cb -0.22 -2.79 -0.08 0.00 0.01 0.00 0.00 42.46 39.38 7i1b s ILE 56 CO 0.31 -0.91 1.99 -2.84 0.00 0.00 0.00 174.94 173.49 7i1b s PRO 57 N -0.81 3.97 0.00 2.79 0.02 -1.26 -1.89 135.00 137.82 7i1b s PRO 57 Ca 0.21 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.71 7i1b s PRO 57 Cb -0.15 -4.19 0.00 0.00 0.02 0.00 0.00 34.50 30.18 7i1b s PRO 57 CO -0.08 -1.14 0.00 1.33 -0.33 0.00 0.00 177.00 176.78 7i1b n VAL 58 N 5.92 0.00 -3.68 3.83 0.24 -0.94 -2.43 118.33 121.27 7i1b n VAL 58 Ca 0.21 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.37 7i1b n VAL 58 Cb 0.42 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.65 7i1b n VAL 58 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 7i1b s ALA 59 N -2.00 -0.39 -0.45 2.33 0.00 0.42 -2.50 121.76 119.17 7i1b s ALA 59 Ca 0.00 0.79 -0.19 0.00 0.00 0.00 0.00 51.96 52.56 7i1b s ALA 59 Cb 0.00 -0.85 0.03 0.00 0.00 0.00 0.00 23.12 22.30 7i1b s ALA 59 CO 0.00 -0.51 0.56 -0.51 0.00 0.00 0.00 175.76 175.29 7i1b s LEU 60 N 2.12 4.77 -0.12 0.00 1.43 -1.26 -1.28 118.68 124.34 7i1b s LEU 60 Ca -0.00 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.49 7i1b s LEU 60 Cb -0.12 -2.52 0.02 0.00 0.03 0.00 0.00 46.19 43.60 7i1b s LEU 60 CO -0.07 -0.73 -0.14 -0.83 0.23 0.00 0.00 176.35 174.80 7i1b s GLY 61 N 2.11 1.06 0.12 -3.19 0.00 -1.07 -2.53 107.32 103.81 7i1b s GLY 61 Ca 0.17 -0.78 -0.36 0.00 0.00 0.00 0.00 44.72 43.75 7i1b s GLY 61 CO 0.15 0.38 1.43 1.04 0.00 0.00 0.00 173.10 176.10 7i1b n LEU 62 N 4.46 2.20 0.25 0.66 4.77 -0.74 0.09 117.00 128.69 7i1b n LEU 62 Ca -0.18 1.11 -0.15 0.00 -0.03 0.00 0.00 56.01 56.75 7i1b n LEU 62 Cb 0.51 -1.28 -0.08 0.00 -2.33 0.00 0.00 43.42 40.23 7i1b n LEU 62 CO 0.23 -0.76 0.63 0.50 -1.33 0.00 0.00 177.39 176.66 7i1b h LYS 63 N 5.06 -0.60 0.40 3.23 3.64 -1.83 -3.29 116.57 123.18 7i1b h LYS 63 Ca -0.47 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.95 7i1b h LYS 63 Cb 1.30 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.25 7i1b h LYS 63 CO 0.82 -0.34 -0.32 0.93 -2.27 0.00 0.00 179.45 178.27 7i1b h GLU 64 N -0.75 -0.69 -6.35 1.90 5.08 -1.90 -3.44 114.58 108.44 7i1b h GLU 64 Ca -0.06 0.05 -0.46 0.00 -1.00 0.00 0.00 59.36 57.88 7i1b h GLU 64 Cb 0.54 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 7i1b h GLU 64 CO 0.10 -0.46 -0.28 0.15 -1.00 0.00 0.00 179.01 177.53 7i1b s LYS 65 N -6.03 2.62 -0.44 2.33 1.02 -1.24 -5.00 119.74 112.99 7i1b s LYS 65 Ca -0.17 -1.45 0.02 0.00 0.02 0.00 0.00 55.97 54.39 7i1b s LYS 65 Cb 0.05 -2.57 0.49 0.00 -0.52 0.00 0.00 37.83 35.28 7i1b s LYS 65 CO 0.63 -0.35 1.86 0.27 -0.92 0.00 0.00 175.35 176.85 7i1b n ASN 66 N -1.80 4.96 -4.67 2.83 0.23 -1.26 -4.22 115.26 111.33 7i1b n ASN 66 Ca 0.07 -3.42 -0.40 0.00 -0.53 0.00 0.00 54.58 50.30 7i1b n ASN 66 Cb 0.61 -0.86 -0.06 0.00 -2.08 0.00 0.00 39.78 37.38 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 -2.91 4.16 -0.12 -4.53 1.43 -1.26 -2.69 118.68 112.76 7i1b s LEU 67 Ca 0.50 0.79 -0.00 0.00 -1.03 0.00 0.00 54.13 54.39 7i1b s LEU 67 Cb 0.41 -2.83 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 7i1b s LEU 67 CO 0.06 -0.22 -0.11 -0.31 0.23 0.00 0.00 176.35 176.00 7i1b s TYR 68 N 1.71 2.86 0.45 0.29 1.51 -0.65 -1.79 117.35 121.73 7i1b s TYR 68 Ca 0.27 -0.45 -0.24 0.00 -1.01 0.00 0.00 57.07 55.65 7i1b s TYR 68 Cb -0.16 -1.83 -0.10 0.00 -0.11 0.00 0.00 41.96 39.76 7i1b s TYR 68 CO 0.10 -0.08 1.04 1.28 -1.11 0.00 0.00 175.55 176.79 7i1b n LEU 69 N 3.27 3.00 -3.76 -1.29 4.32 -1.05 -2.59 117.00 118.89 7i1b n LEU 69 Ca -0.18 1.01 -0.13 0.00 -0.02 0.00 0.00 56.01 56.70 7i1b n LEU 69 Cb 0.53 -1.38 -0.11 0.00 -1.62 0.00 0.00 43.42 40.83 7i1b n LEU 69 CO 0.30 -1.40 -0.02 -0.94 -1.22 0.00 0.00 177.39 174.11 7i1b s SER 70 N -0.78 -0.34 -0.28 -1.43 1.04 0.20 -4.50 113.70 107.62 7i1b s SER 70 Ca 0.65 0.65 -0.11 0.00 0.48 0.00 0.00 55.95 57.62 7i1b s SER 70 Cb -0.53 0.64 -0.05 0.00 0.10 0.00 0.00 66.02 66.19 7i1b s SER 70 CO 0.56 -0.12 0.18 0.00 0.98 0.00 0.00 173.24 174.84 7i1b s VAL 72 N 1.75 0.93 0.10 0.00 -7.23 -0.93 -4.80 120.40 110.22 7i1b s VAL 72 Ca 0.07 -1.64 -0.30 0.00 -1.81 0.00 0.00 61.98 58.30 7i1b s VAL 72 Cb -0.16 -1.35 -0.06 0.00 0.56 0.00 0.00 36.38 35.37 7i1b s VAL 72 CO 0.11 -0.56 0.99 -0.76 -0.31 0.00 0.00 175.10 174.57 7i1b s LEU 73 N -2.44 4.48 -0.63 1.32 1.43 -1.26 -1.20 118.68 120.38 7i1b s LEU 73 Ca 0.05 1.83 0.05 0.00 -1.03 0.00 0.00 54.13 55.03 7i1b s LEU 73 Cb -0.03 -3.59 0.17 0.00 0.03 0.00 0.00 46.19 42.77 7i1b s LEU 73 CO -0.00 -0.13 0.44 -0.54 0.23 0.00 0.00 176.35 176.36 7i1b s LYS 74 N 0.11 2.10 0.00 1.70 1.02 0.28 -4.72 119.74 120.23 7i1b s LYS 74 Ca 0.48 -3.03 0.00 0.00 0.02 0.00 0.00 55.97 53.44 7i1b s LYS 74 Cb -0.24 -3.00 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 7i1b s LYS 74 CO 0.30 -1.29 0.00 -0.25 -0.92 0.00 0.00 175.35 173.19 7i1b n ASP 75 N 2.25 -1.64 0.00 2.83 8.00 -1.26 -3.63 116.55 123.09 7i1b n ASP 75 Ca 0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.70 7i1b n ASP 75 Cb 0.37 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 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 0.25 -3.24 -4.12 -2.24 8.00 -1.26 -4.98 116.55 108.97 7i1b n ASP 76 Ca 0.00 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.17 7i1b n ASP 76 Cb 0.41 -1.66 -0.15 0.00 -0.02 0.00 0.00 41.12 39.70 7i1b n ASP 76 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 7i1b s LYS 77 N -0.78 2.60 0.43 -1.24 1.02 -1.24 -5.07 119.74 115.45 7i1b s LYS 77 Ca 0.00 -1.11 -0.24 0.00 0.02 0.00 0.00 55.97 54.63 7i1b s LYS 77 Cb 0.00 -2.83 -0.10 0.00 -0.52 0.00 0.00 37.83 34.38 7i1b s LYS 77 CO 0.00 -0.43 1.10 -2.30 -0.92 0.00 0.00 175.35 172.80 7i1b n PRO 78 N 4.55 1.52 -3.97 -1.68 -0.02 -1.26 -0.56 135.00 133.57 7i1b n PRO 78 Ca -0.17 0.54 -0.10 0.00 -2.02 0.00 0.00 63.50 61.76 7i1b n PRO 78 Cb 0.46 -2.16 -0.06 0.00 -0.02 0.00 0.00 33.50 31.71 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 -1.26 0.03 -0.12 3.45 2.01 -0.34 -4.73 115.64 114.68 7i1b s THR 79 Ca 0.63 -1.37 -0.06 0.00 0.31 0.00 0.00 61.69 61.20 7i1b s THR 79 Cb -0.54 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 7i1b s THR 79 CO 0.57 -0.12 0.12 -0.22 -0.69 0.00 0.00 174.62 174.27 7i1b s LEU 80 N -2.99 4.25 0.03 4.42 2.96 -1.26 -2.19 118.68 123.90 7i1b s LEU 80 Ca 0.20 0.41 -0.22 0.00 -0.22 0.00 0.00 54.13 54.30 7i1b s LEU 80 Cb 0.01 -2.03 0.05 0.00 0.50 0.00 0.00 46.19 44.72 7i1b s LEU 80 CO 0.05 0.39 0.50 -1.58 -1.32 0.00 0.00 176.35 174.39 7i1b s GLN 81 N -0.94 0.99 -0.16 1.98 2.00 -0.05 -4.83 119.66 118.65 7i1b s GLN 81 Ca 0.14 -0.21 -0.07 0.00 -2.00 0.00 0.00 55.36 53.23 7i1b s GLN 81 Cb -0.12 0.45 -0.04 0.00 0.80 0.00 0.00 33.01 34.10 7i1b s GLN 81 CO 0.03 -0.35 0.08 -0.51 -0.50 0.00 0.00 175.29 174.05 7i1b s LEU 82 N -1.85 3.94 -0.00 3.68 1.43 -1.26 0.62 118.68 125.23 7i1b s LEU 82 Ca -0.06 0.17 -0.00 0.00 -1.03 0.00 0.00 54.13 53.21 7i1b s LEU 82 Cb -0.01 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.23 7i1b s LEU 82 CO -0.00 0.24 0.01 -0.70 0.23 0.00 0.00 176.35 176.12 7i1b s GLU 83 N -0.00 0.00 0.10 1.70 2.56 -1.07 -4.93 118.70 117.06 7i1b s GLU 83 Ca 0.07 0.02 -0.31 0.00 0.00 0.00 0.00 54.97 54.75 7i1b s GLU 83 Cb -0.12 -0.01 -0.07 0.00 2.00 0.00 0.00 34.13 35.93 7i1b s GLU 83 CO 0.01 -0.01 1.32 0.45 -0.56 0.00 0.00 175.26 176.46 7i1b s SER 84 N 0.06 6.92 0.17 -1.70 0.15 -1.26 -1.63 113.70 116.40 7i1b s SER 84 Ca -0.00 2.22 0.08 0.00 0.70 0.00 0.00 55.95 58.95 7i1b s SER 84 Cb -0.01 -2.58 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 7i1b s SER 84 CO -0.00 -0.58 -0.07 0.68 1.20 0.00 0.00 173.24 174.46 7i1b s VAL 85 N 1.04 3.33 -0.78 4.45 -7.23 -1.10 -4.94 120.40 115.17 7i1b s VAL 85 Ca 0.62 -1.56 -0.24 0.00 -1.81 0.00 0.00 61.98 58.99 7i1b s VAL 85 Cb -0.34 -2.65 -0.17 0.00 0.56 0.00 0.00 36.38 33.78 7i1b s VAL 85 CO 0.30 -0.09 2.11 -0.67 -0.31 0.00 0.00 175.10 176.44 7i1b n ASP 86 N 0.07 0.21 0.00 4.85 2.03 -1.26 -4.66 116.55 117.79 7i1b n ASP 86 Ca -0.11 0.13 0.04 0.00 0.52 0.00 0.00 54.79 55.38 7i1b n ASP 86 Cb 0.55 -0.72 0.23 0.00 -0.72 0.00 0.00 41.12 40.46 7i1b n ASP 86 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 7i1b n PRO 87 N 6.63 0.21 -0.13 -0.67 -0.02 -1.26 -1.18 135.00 138.58 7i1b n PRO 87 Ca 0.52 0.06 -0.23 0.00 -2.02 0.00 0.00 63.50 61.83 7i1b n PRO 87 Cb 0.02 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 31.89 7i1b n PRO 87 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 7i1b n LYS 88 N -1.09 0.63 0.06 -0.52 5.02 -1.26 -4.60 118.16 116.41 7i1b n LYS 88 Ca 0.05 0.22 -0.18 0.00 -2.02 0.00 0.00 58.31 56.39 7i1b n LYS 88 Cb 0.04 -1.53 -0.14 0.00 -0.02 0.00 0.00 35.03 33.38 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 -0.46 0.43 -3.39 4.39 4.21 -1.85 -3.46 115.58 115.45 7i1b h ASN 89 Ca -0.61 -0.61 -0.54 0.00 1.21 0.00 0.00 56.30 55.74 7i1b h ASN 89 Cb 1.76 -0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 38.79 7i1b h ASN 89 CO -0.23 1.51 -0.15 -0.31 -1.29 0.00 0.00 177.43 176.96 7i1b s TYR 90 N -2.61 3.43 0.20 1.19 2.02 -0.33 -3.53 117.35 117.72 7i1b s TYR 90 Ca -0.10 0.81 -0.30 0.00 -0.37 0.00 0.00 57.07 57.11 7i1b s TYR 90 Cb 0.07 -2.21 -0.08 0.00 -0.40 0.00 0.00 41.96 39.33 7i1b s TYR 90 CO 0.85 0.30 1.16 -1.25 -1.57 0.00 0.00 175.55 175.04 7i1b s PRO 91 N -2.80 4.53 0.26 -1.71 0.04 -1.26 -4.66 135.00 129.41 7i1b s PRO 91 Ca 0.46 1.83 0.10 0.00 0.04 0.00 0.00 61.00 63.43 7i1b s PRO 91 Cb -0.11 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.13 7i1b s PRO 91 CO 0.22 -0.01 -0.15 0.21 0.04 0.00 0.00 177.00 177.30 7i1b s LYS 92 N -0.44 1.56 0.23 4.56 2.20 -1.23 -4.78 119.74 121.83 7i1b s LYS 92 Ca 0.51 -1.73 -0.08 0.00 -0.36 0.00 0.00 55.97 54.31 7i1b s LYS 92 Cb -0.32 -1.46 0.23 0.00 -1.51 0.00 0.00 37.83 34.77 7i1b s LYS 92 CO 0.37 0.22 1.89 -0.22 -0.36 0.00 0.00 175.35 177.26 7i1b h LYS 93 N 2.35 1.09 -5.92 4.03 3.64 -1.90 -3.42 116.57 116.43 7i1b h LYS 93 Ca -0.40 -0.07 -0.62 0.00 -1.27 0.00 0.00 60.65 58.30 7i1b h LYS 93 Cb 1.24 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 32.77 7i1b h LYS 93 CO 0.63 0.72 -0.46 0.21 -2.27 0.00 0.00 179.45 178.28 7i1b s LYS 94 N -6.12 3.48 -0.11 1.90 2.20 -1.26 -0.39 119.74 119.44 7i1b s LYS 94 Ca -0.13 -0.33 -0.09 0.00 -0.36 0.00 0.00 55.97 55.07 7i1b s LYS 94 Cb 0.17 -3.03 0.03 0.00 -1.51 0.00 0.00 37.83 33.49 7i1b s LYS 94 CO 0.79 0.61 0.28 -1.64 -0.36 0.00 0.00 175.35 175.04 7i1b s MET 95 N -2.33 0.30 0.77 4.03 -1.94 -1.26 -4.98 119.30 113.90 7i1b s MET 95 Ca 0.33 0.45 -0.15 0.00 -1.71 0.00 0.00 55.69 54.62 7i1b s MET 95 Cb -0.13 0.08 0.05 0.00 2.01 0.00 0.00 34.83 36.85 7i1b s MET 95 CO 0.24 -0.08 1.16 0.39 -0.01 0.00 0.00 175.02 176.73 7i1b n GLU 96 N 3.33 0.39 -0.05 2.03 1.02 -1.26 -4.63 120.64 121.47 7i1b n GLU 96 Ca -0.16 0.20 0.21 0.00 -0.02 0.00 0.00 57.16 57.39 7i1b n GLU 96 Cb 0.57 -2.40 0.68 0.00 -0.02 0.00 0.00 31.44 30.26 7i1b n GLU 96 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 7i1b h LYS 97 N -0.56 0.04 -0.63 3.49 1.79 -1.90 0.11 116.57 118.91 7i1b h LYS 97 Ca -0.47 -0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.06 7i1b h LYS 97 Cb 1.31 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.91 7i1b h LYS 97 CO 0.47 0.03 0.41 0.00 -1.08 0.00 0.00 179.45 179.28 7i1b h ARG 98 N 0.05 0.57 -0.01 3.15 3.08 -1.88 -2.02 114.38 117.32 7i1b h ARG 98 Ca 0.30 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.31 7i1b h ARG 98 Cb 1.12 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.04 7i1b h ARG 98 CO -0.02 0.38 -0.78 1.19 -1.07 0.00 0.00 179.97 179.67 7i1b n PHE 99 N -4.48 0.00 -3.16 3.04 3.72 0.28 -2.55 117.46 114.31 7i1b n PHE 99 Ca 0.09 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.10 7i1b n PHE 99 Cb 0.26 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.74 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 -2.72 4.94 -0.12 -4.37 1.01 -0.63 -4.41 120.40 114.09 7i1b s VAL 100 Ca 0.11 1.29 0.00 0.00 0.00 0.00 0.00 61.98 63.38 7i1b s VAL 100 Cb 0.16 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.60 7i1b s VAL 100 CO 0.73 0.38 -0.11 -0.36 0.00 0.00 0.00 175.10 175.74 7i1b s PHE 101 N 0.07 1.76 -0.63 5.22 0.40 -1.04 -2.31 117.98 121.44 7i1b s PHE 101 Ca 0.32 -0.91 -0.27 0.00 -0.60 0.00 0.00 56.93 55.48 7i1b s PHE 101 Cb -0.18 -1.37 -0.01 0.00 0.51 0.00 0.00 43.02 41.97 7i1b s PHE 101 CO 0.17 -0.55 1.76 -0.80 0.70 0.00 0.00 175.22 176.50 7i1b s ASN 102 N 1.52 5.43 -0.69 1.36 0.01 -0.83 -2.22 114.94 119.52 7i1b s ASN 102 Ca 0.03 0.21 -0.27 0.00 -0.71 0.00 0.00 52.86 52.12 7i1b s ASN 102 Cb -0.13 -2.53 0.02 0.00 0.41 0.00 0.00 41.25 39.02 7i1b s ASN 102 CO -0.08 -2.28 1.33 -0.75 -1.51 0.00 0.00 177.10 173.81 7i1b s LYS 103 N 6.80 3.19 0.26 -0.60 2.20 -0.79 -2.63 119.74 128.17 7i1b s LYS 103 Ca 0.62 -0.04 0.04 0.00 -0.36 0.00 0.00 55.97 56.22 7i1b s LYS 103 Cb -0.12 -4.17 -0.03 0.00 -1.51 0.00 0.00 37.83 32.00 7i1b s LYS 103 CO 0.20 -2.12 0.40 0.42 -0.36 0.00 0.00 175.35 173.89 7i1b s ILE 104 N 5.95 5.22 -0.09 5.43 1.01 -0.64 -2.00 121.20 136.08 7i1b s ILE 104 Ca 0.40 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 60.27 7i1b s ILE 104 Cb -0.09 -3.85 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 7i1b s ILE 104 CO 0.18 -0.36 -0.21 -1.61 0.00 0.00 0.00 174.94 172.94 7i1b s GLU 105 N -3.99 2.92 -0.26 2.79 2.02 -1.26 -1.80 118.70 119.12 7i1b s GLU 105 Ca 0.36 -0.82 -0.03 0.00 0.02 0.00 0.00 54.97 54.50 7i1b s GLU 105 Cb -0.09 -2.34 0.11 0.00 0.10 0.00 0.00 34.13 31.90 7i1b s GLU 105 CO 0.31 0.30 0.21 0.42 0.02 0.00 0.00 175.26 176.52 7i1b s ILE 106 N 0.08 -0.26 -1.25 -1.63 1.01 0.08 -4.89 121.20 114.34 7i1b s ILE 106 Ca -0.09 -0.45 -0.05 0.00 0.00 0.00 0.00 60.65 60.06 7i1b s ILE 106 Cb -0.15 -0.88 0.01 0.00 0.01 0.00 0.00 42.46 41.44 7i1b s ILE 106 CO 0.06 -0.47 1.07 -3.20 0.00 0.00 0.00 174.94 172.40 7i1b n ASN 107 N 5.29 -4.32 0.00 3.58 2.85 -1.26 -1.28 115.26 120.12 7i1b n ASN 107 Ca -0.04 -0.56 0.00 0.00 -0.11 0.00 0.00 54.58 53.87 7i1b n ASN 107 Cb 0.46 -4.95 0.00 0.00 1.24 0.00 0.00 39.78 36.53 7i1b n ASN 107 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 7i1b n ASN 108 N -2.97 -0.29 -4.97 1.20 2.85 -1.26 -4.99 115.26 104.84 7i1b n ASN 108 Ca -0.12 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.16 7i1b n ASN 108 Cb 0.61 -0.67 -0.01 0.00 1.24 0.00 0.00 39.78 40.95 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 -0.27 2.88 0.07 1.20 -0.14 -0.41 -4.93 119.74 118.14 7i1b s LYS 109 Ca 0.00 -1.21 0.09 0.00 -1.36 0.00 0.00 55.97 53.49 7i1b s LYS 109 Cb 0.00 -2.70 -0.03 0.00 -1.68 0.00 0.00 37.83 33.42 7i1b s LYS 109 CO 0.00 -0.10 -0.24 -0.51 -0.76 0.00 0.00 175.35 173.75 7i1b s LEU 110 N -4.21 2.22 -0.11 3.17 1.43 0.08 -0.74 118.68 120.50 7i1b s LEU 110 Ca 0.49 -0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 7i1b s LEU 110 Cb -0.08 -1.10 0.04 0.00 0.03 0.00 0.00 46.19 45.08 7i1b s LEU 110 CO 0.31 0.18 0.01 -1.61 0.23 0.00 0.00 176.35 175.47 7i1b s GLU 111 N -1.47 0.63 -0.41 1.70 0.41 -0.74 -0.09 118.70 118.73 7i1b s GLU 111 Ca 0.10 -0.08 -0.17 0.00 -0.41 0.00 0.00 54.97 54.41 7i1b s GLU 111 Cb -0.10 -1.38 0.02 0.00 -1.78 0.00 0.00 34.13 30.89 7i1b s GLU 111 CO 0.03 -0.42 0.42 -0.06 -0.49 0.00 0.00 175.26 174.74 7i1b s PHE 112 N 1.93 3.18 -0.15 1.61 0.08 -1.26 -1.62 117.98 121.75 7i1b s PHE 112 Ca 0.03 -0.36 -0.13 0.00 0.12 0.00 0.00 56.93 56.60 7i1b s PHE 112 Cb -0.14 -2.85 -0.05 0.00 -0.57 0.00 0.00 43.02 39.41 7i1b s PHE 112 CO -0.06 -0.67 0.26 -2.00 -0.10 0.00 0.00 175.22 172.65 7i1b s GLU 113 N 2.10 4.13 -0.35 0.44 2.12 -1.08 -2.23 118.70 123.82 7i1b s GLU 113 Ca 0.12 0.05 -0.28 0.00 0.36 0.00 0.00 54.97 55.22 7i1b s GLU 113 Cb -0.17 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 7i1b s GLU 113 CO 0.13 0.34 2.11 0.45 -0.54 0.00 0.00 175.26 177.76 7i1b s SER 114 N 0.16 5.32 0.59 -1.70 0.15 -0.19 -1.96 113.70 116.06 7i1b s SER 114 Ca 0.16 1.40 0.21 0.00 0.70 0.00 0.00 55.95 58.42 7i1b s SER 114 Cb -0.13 -2.51 1.15 0.00 -1.71 0.00 0.00 66.02 62.82 7i1b s SER 114 CO 0.04 -2.14 1.62 0.00 1.20 0.00 0.00 173.24 173.96 7i1b h ALA 115 N 15.49 1.42 0.00 5.45 0.00 -1.61 -1.04 119.26 138.96 7i1b h ALA 115 Ca -0.34 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 7i1b h ALA 115 Cb 1.22 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 7i1b h ALA 115 CO 1.05 -0.42 -0.12 0.37 0.00 0.00 0.00 179.25 180.13 7i1b h GLN 116 N 0.00 0.00 -3.79 0.00 -0.00 -1.80 -3.42 115.11 106.09 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 0.89 0.00 -0.35 0.00 0.00 0.00 0.00 27.48 28.02 7i1b h GLN 116 CO 0.00 0.38 -0.41 -0.06 0.00 0.00 0.00 178.83 178.74 7i1b s PHE 117 N -1.88 3.45 0.74 3.99 0.08 -0.40 -5.07 117.98 118.89 7i1b s PHE 117 Ca -0.09 -2.65 -0.15 0.00 0.12 0.00 0.00 56.93 54.16 7i1b s PHE 117 Cb -0.00 -3.20 0.03 0.00 -0.57 0.00 0.00 43.02 39.27 7i1b s PHE 117 CO 0.28 -0.87 1.11 -2.30 -0.10 0.00 0.00 175.22 173.34 7i1b n PRO 118 N 3.74 0.50 0.00 0.24 -0.02 -1.20 -2.27 135.00 135.99 7i1b n PRO 118 Ca 0.05 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 7i1b n PRO 118 Cb 0.39 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 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 -2.32 0.00 -4.32 2.55 3.02 -1.26 -4.99 115.26 107.94 7i1b n ASN 119 Ca 0.14 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.33 7i1b n ASN 119 Cb 0.50 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 -2.53 3.09 0.52 3.10 0.52 -0.96 -4.50 118.94 118.17 7i1b s TRP 120 Ca 0.00 -1.01 0.03 0.00 0.02 0.00 0.00 56.10 55.14 7i1b s TRP 120 Cb 0.00 -2.19 0.00 0.00 -1.15 0.00 0.00 33.47 30.14 7i1b s TRP 120 CO 0.00 -0.57 0.14 0.71 0.02 0.00 0.00 176.95 177.24 7i1b s TYR 121 N 1.48 1.81 -0.16 -1.98 1.51 -0.74 -1.03 117.35 118.24 7i1b s TYR 121 Ca 0.03 -0.91 -0.25 0.00 -1.01 0.00 0.00 57.07 54.93 7i1b s TYR 121 Cb -0.16 -1.72 -0.02 0.00 -0.11 0.00 0.00 41.96 39.95 7i1b s TYR 121 CO 0.00 0.00 0.84 0.42 -1.11 0.00 0.00 175.55 175.70 7i1b s ILE 122 N -2.84 4.88 0.22 2.71 1.01 -0.95 -1.41 121.20 124.83 7i1b s ILE 122 Ca 0.16 1.65 0.04 0.00 0.00 0.00 0.00 60.65 62.50 7i1b s ILE 122 Cb 0.00 -4.14 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 7i1b s ILE 122 CO 0.09 0.04 -0.03 -0.44 0.00 0.00 0.00 174.94 174.60 7i1b s SER 123 N 1.14 1.94 0.14 3.58 0.01 -0.52 -4.49 113.70 115.51 7i1b s SER 123 Ca 0.39 -1.17 0.06 0.00 1.31 0.00 0.00 55.95 56.53 7i1b s SER 123 Cb -0.17 -0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 7i1b s SER 123 CO 0.13 -0.45 -0.12 0.42 0.41 0.00 0.00 173.24 173.62 7i1b s THR 124 N -3.35 1.32 -0.24 1.44 -4.23 -0.70 -2.67 115.64 107.22 7i1b s THR 124 Ca 0.26 -1.93 -0.18 0.00 -1.18 0.00 0.00 61.69 58.66 7i1b s THR 124 Cb 0.05 -1.73 -0.03 0.00 1.34 0.00 0.00 72.50 72.13 7i1b s THR 124 CO 0.08 -0.58 0.52 -0.55 -0.54 0.00 0.00 174.62 173.54 7i1b s SER 125 N -2.87 6.48 0.56 3.99 0.15 -1.26 -2.65 113.70 118.09 7i1b s SER 125 Ca 0.14 0.58 0.38 0.00 0.70 0.00 0.00 55.95 57.75 7i1b s SER 125 Cb -0.01 -2.28 1.53 0.00 -1.71 0.00 0.00 66.02 63.54 7i1b s SER 125 CO 0.03 -0.24 1.73 -0.61 1.20 0.00 0.00 173.24 175.34 7i1b h GLN 126 N 7.79 0.00 -6.57 5.44 4.15 -1.97 -3.41 115.11 120.53 7i1b h GLN 126 Ca -0.31 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 58.59 7i1b h GLN 126 Cb 1.15 0.00 0.23 0.00 0.21 0.00 0.00 27.48 29.06 7i1b h GLN 126 CO 0.73 0.00 -1.04 0.00 -1.93 0.00 0.00 178.83 176.58 7i1b n ALA 127 N -2.71 -3.65 -2.14 3.38 0.00 -1.26 -4.92 120.51 109.21 7i1b n ALA 127 Ca 0.27 -0.80 -0.37 0.00 0.00 0.00 0.00 53.44 52.54 7i1b n ALA 127 Cb 1.36 -1.56 -0.06 0.00 0.00 0.00 0.00 19.45 19.19 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 -3.19 4.27 -0.48 0.00 2.02 -1.26 -4.47 118.70 115.58 7i1b s GLU 128 Ca 0.52 0.85 -0.23 0.00 0.02 0.00 0.00 54.97 56.13 7i1b s GLU 128 Cb -0.17 -3.03 0.03 0.00 0.10 0.00 0.00 34.13 31.06 7i1b s GLU 128 CO 0.70 0.49 0.63 0.09 0.02 0.00 0.00 175.26 177.20 7i1b n ASN 129 N 1.11 -6.83 -3.88 -0.19 4.13 -1.26 -5.02 115.26 103.31 7i1b n ASN 129 Ca -0.05 0.14 -0.14 0.00 1.68 0.00 0.00 54.58 56.21 7i1b n ASN 129 Cb 0.51 -3.75 -0.14 0.00 -1.54 0.00 0.00 39.78 34.85 7i1b n ASN 129 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 7i1b s MET 130 N -2.71 0.15 0.69 3.52 -1.94 -1.26 -5.01 119.30 112.73 7i1b s MET 130 Ca 0.27 -0.04 -0.16 0.00 -1.71 0.00 0.00 55.69 54.05 7i1b s MET 130 Cb -0.05 -0.18 0.01 0.00 2.01 0.00 0.00 34.83 36.62 7i1b s MET 130 CO 0.82 0.01 1.21 -1.25 -0.01 0.00 0.00 175.02 175.80 7i1b s PRO 131 N 0.13 2.41 0.47 2.03 0.04 -1.26 -2.59 135.00 136.22 7i1b s PRO 131 Ca -0.01 1.79 -0.13 0.00 0.04 0.00 0.00 61.00 62.70 7i1b s PRO 131 Cb -0.03 -1.86 -0.07 0.00 0.04 0.00 0.00 34.50 32.58 7i1b s PRO 131 CO -0.00 -1.64 0.88 0.08 0.04 0.00 0.00 177.00 176.36 7i1b s VAL 132 N -1.84 4.68 0.35 -0.36 1.01 -0.96 -4.62 120.40 118.67 7i1b s VAL 132 Ca 0.76 0.86 -0.17 0.00 0.00 0.00 0.00 61.98 63.43 7i1b s VAL 132 Cb -0.30 -3.74 0.06 0.00 0.00 0.00 0.00 36.38 32.39 7i1b s VAL 132 CO 0.42 -0.65 0.82 0.72 0.00 0.00 0.00 175.10 176.41 7i1b s PHE 133 N -2.55 0.09 -0.20 5.22 -0.71 -1.09 -4.88 117.98 113.87 7i1b s PHE 133 Ca 0.54 -0.72 -0.11 0.00 -1.04 0.00 0.00 56.93 55.60 7i1b s PHE 133 Cb -0.10 0.82 -0.05 0.00 -1.21 0.00 0.00 43.02 42.47 7i1b s PHE 133 CO 0.33 -1.47 0.17 -1.17 -1.34 0.00 0.00 175.22 171.75 7i1b s LEU 134 N -3.10 4.20 0.10 -1.99 2.96 -1.26 -1.43 118.68 118.16 7i1b s LEU 134 Ca 0.16 0.27 0.06 0.00 -0.22 0.00 0.00 54.13 54.39 7i1b s LEU 134 Cb -0.05 -2.15 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 7i1b s LEU 134 CO 0.10 0.14 -0.15 -0.83 -1.32 0.00 0.00 176.35 174.30 7i1b s GLY 135 N 0.51 1.02 -0.70 7.98 0.00 -0.50 -4.69 107.32 110.94 7i1b s GLY 135 Ca 0.10 -1.20 0.01 0.00 0.00 0.00 0.00 44.72 43.63 7i1b s GLY 135 CO 0.00 -1.25 1.63 0.61 0.00 0.00 0.00 173.10 174.09 7i1b n GLY 136 N 0.80 5.75 2.58 0.20 0.00 -1.26 -1.79 105.19 111.46 7i1b n GLY 136 Ca -0.17 -2.61 -0.29 0.00 0.00 0.00 0.00 46.02 42.94 7i1b n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 7i1b s THR 137 N -5.17 0.40 -0.25 2.61 2.01 -1.26 -4.99 115.64 108.98 7i1b s THR 137 Ca 0.50 -1.46 -0.29 0.00 0.31 0.00 0.00 61.69 60.74 7i1b s THR 137 Cb 0.40 -1.30 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 7i1b s THR 137 CO -0.30 -0.83 1.74 -0.54 -0.69 0.00 0.00 174.62 173.99 7i1b s LYS 138 N 1.41 3.61 7.95 4.92 1.02 -1.26 -4.65 119.74 132.73 7i1b s LYS 138 Ca 0.13 1.65 0.00 0.00 0.02 0.00 0.00 55.97 57.77 7i1b s LYS 138 Cb -0.20 -4.12 0.00 0.00 -0.52 0.00 0.00 37.83 32.99 7i1b s LYS 138 CO -0.16 -1.53 0.00 0.41 -0.92 0.00 0.00 175.35 173.15 7i1b n GLY 139 N 5.00 3.37 7.00 -3.33 0.00 -1.26 -4.91 105.19 111.06 7i1b n GLY 139 Ca 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 3.98 0.08 -0.02 0.00 -1.26 -2.48 105.19 105.48 7i1b n GLY 140 Ca 0.00 0.20 -0.07 0.00 0.00 0.00 0.00 46.02 46.14 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 13.13 1.36 -2.54 1.61 0.00 -1.26 -4.98 117.38 124.71 7i1b n GLN 141 Ca 0.00 -0.01 -0.33 0.00 -0.00 0.00 0.00 57.00 56.66 7i1b n GLN 141 Cb 0.00 -1.41 -0.04 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 -4.94 6.48 -0.58 1.69 1.11 -1.04 -4.77 116.67 114.63 7i1b s ASP 142 Ca -0.08 1.79 -0.18 0.00 0.18 0.00 0.00 52.55 54.26 7i1b s ASP 142 Cb 0.05 -2.54 0.11 0.00 1.07 0.00 0.00 42.92 41.60 7i1b s ASP 142 CO 0.66 -0.68 0.66 -0.63 1.18 0.00 0.00 175.17 176.36 7i1b s ILE 143 N -2.19 4.90 -0.13 0.77 1.01 -1.09 -4.35 121.20 120.12 7i1b s ILE 143 Ca 0.64 -1.09 0.18 0.00 0.00 0.00 0.00 60.65 60.38 7i1b s ILE 143 Cb -0.13 -4.46 -0.19 0.00 0.01 0.00 0.00 42.46 37.69 7i1b s ILE 143 CO 0.22 -1.07 0.61 0.35 0.00 0.00 0.00 174.94 175.04 7i1b n THR 144 N 5.49 0.96 -0.90 2.92 -2.24 -1.26 -1.72 114.28 117.53 7i1b n THR 144 Ca -0.10 -0.68 -0.30 0.00 -2.27 0.00 0.00 64.05 60.70 7i1b n THR 144 Cb 0.42 -0.51 0.17 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 2.70 0.25 3.42 1.47 -1.26 -4.62 116.67 113.19 7i1b s ASP 145 Ca -0.05 1.70 -0.06 0.00 1.18 0.00 0.00 52.55 55.31 7i1b s ASP 145 Cb 0.09 -2.33 0.03 0.00 -0.34 0.00 0.00 42.92 40.37 7i1b s ASP 145 CO 0.83 -3.16 0.45 0.49 0.68 0.00 0.00 175.17 174.46 7i1b n PHE 146 N -4.24 -1.60 -3.58 2.11 3.72 0.87 -4.36 117.46 110.39 7i1b n PHE 146 Ca 0.07 -1.38 -0.07 0.00 -0.05 0.00 0.00 57.45 56.03 7i1b n PHE 146 Cb 0.54 0.52 -0.08 0.00 -0.94 0.00 0.00 39.48 39.52 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 -2.52 -0.72 0.25 4.37 -4.23 0.12 -0.74 115.64 112.16 7i1b s THR 147 Ca 0.14 0.09 -0.06 0.00 -1.18 0.00 0.00 61.69 60.68 7i1b s THR 147 Cb -0.02 -0.77 -0.06 0.00 1.34 0.00 0.00 72.50 72.99 7i1b s THR 147 CO 0.10 0.02 0.52 -0.32 -0.54 0.00 0.00 174.62 174.41 7i1b s MET 148 N 2.67 3.68 -0.16 3.99 1.75 -1.26 -0.96 119.30 129.01 7i1b s MET 148 Ca 0.01 0.07 -0.04 0.00 -1.25 0.00 0.00 55.69 54.48 7i1b s MET 148 Cb -0.13 -2.68 0.08 0.00 2.84 0.00 0.00 34.83 34.94 7i1b s MET 148 CO -0.15 0.29 0.25 -0.65 -0.65 0.00 0.00 175.02 174.11 7i1b s GLN 149 N -3.17 0.16 0.99 4.11 -1.52 -1.02 -4.97 119.66 114.23 7i1b s GLN 149 Ca 0.44 0.53 -0.14 0.00 -1.95 0.00 0.00 55.36 54.25 7i1b s GLN 149 Cb -0.11 -0.48 0.05 0.00 -0.22 0.00 0.00 33.01 32.24 7i1b s GLN 149 CO 0.26 -0.44 0.28 1.19 -0.25 0.00 0.00 175.29 176.34 7i1b n PHE 150 N 5.34 -1.55 -4.08 0.91 3.01 -1.26 -2.35 117.46 117.47 7i1b n PHE 150 Ca -0.06 0.21 -0.12 0.00 1.01 0.00 0.00 57.45 58.49 7i1b n PHE 150 Cb 0.50 -1.72 -0.11 0.00 -0.01 0.00 0.00 39.48 38.13 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 -2.35 0.55 0.16 -4.37 -7.23 -1.12 -4.76 120.40 101.28 7i1b s VAL 151 Ca 0.56 -1.29 0.01 0.00 -1.81 0.00 0.00 61.98 59.45 7i1b s VAL 151 Cb -0.19 -0.86 -0.00 0.00 0.56 0.00 0.00 36.38 35.88 7i1b s VAL 151 CO 0.68 -0.52 0.18 -1.54 -0.31 0.00 0.00 175.10 173.59 7i1b n SER 152 N 1.09 -0.50 0.00 4.85 3.41 -1.26 -4.91 113.62 116.30 7i1b n SER 152 Ca -0.20 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.48 7i1b n SER 152 Cb 0.56 1.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.51 7i1b n SER 152 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34