#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 0.62 -1.56 0.00 -0.04 -1.26 -4.72 135.00 128.03 7i1b n PRO 2 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 7i1b n PRO 2 Cb 0.00 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 7i1b n PRO 2 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 7i1b n VAL 3 N 1.53 0.00 -3.89 0.52 0.31 -1.26 -4.85 118.33 110.68 7i1b n VAL 3 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.05 7i1b n VAL 3 Cb 0.31 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.08 7i1b n VAL 3 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 7i1b s ARG 4 N -1.35 1.45 0.65 5.55 0.52 -1.26 -5.09 118.95 119.43 7i1b s ARG 4 Ca 0.00 -0.49 -0.07 0.00 -0.52 0.00 0.00 55.73 54.65 7i1b s ARG 4 Cb 0.00 -1.97 0.03 0.00 0.52 0.00 0.00 34.95 33.53 7i1b s ARG 4 CO 0.00 -0.41 0.97 -1.12 0.02 0.00 0.00 175.30 174.76 7i1b s SER 5 N 1.64 5.27 -0.21 0.23 0.01 -1.26 -3.26 113.70 116.13 7i1b s SER 5 Ca 0.01 0.68 -0.04 0.00 1.31 0.00 0.00 55.95 57.91 7i1b s SER 5 Cb -0.15 -1.52 0.09 0.00 0.21 0.00 0.00 66.02 64.65 7i1b s SER 5 CO -0.08 -1.31 0.19 -0.76 0.41 0.00 0.00 173.24 171.69 7i1b s LEU 6 N -5.14 0.03 0.04 2.44 1.02 0.84 -4.92 118.68 112.98 7i1b s LEU 6 Ca 0.57 -0.42 -0.30 0.00 0.02 0.00 0.00 54.13 53.99 7i1b s LEU 6 Cb -0.11 0.20 -0.05 0.00 0.02 0.00 0.00 46.19 46.25 7i1b s LEU 6 CO 0.46 -0.34 1.22 0.20 0.02 0.00 0.00 176.35 177.90 7i1b s ASN 7 N 2.27 7.05 -0.17 2.29 0.02 -1.26 0.69 114.94 125.83 7i1b s ASN 7 Ca 0.06 2.00 -0.29 0.00 -1.02 0.00 0.00 52.86 53.61 7i1b s ASN 7 Cb -0.16 -2.57 0.12 0.00 0.02 0.00 0.00 41.25 38.65 7i1b s ASN 7 CO -0.14 -0.51 0.95 0.00 0.02 0.00 0.00 177.10 177.41 7i1b s THR 9 N -0.77 2.20 -0.03 0.00 -4.23 -0.84 -2.03 115.64 109.94 7i1b s THR 9 Ca -0.02 -0.76 0.01 0.00 -1.18 0.00 0.00 61.69 59.75 7i1b s THR 9 Cb -0.02 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.39 7i1b s THR 9 CO 0.01 0.00 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.29 7i1b s LEU 10 N -4.92 1.53 0.02 4.79 1.43 -1.26 -2.48 118.68 117.79 7i1b s LEU 10 Ca 0.64 -0.10 0.04 0.00 -1.03 0.00 0.00 54.13 53.68 7i1b s LEU 10 Cb -0.06 -0.35 -0.02 0.00 0.03 0.00 0.00 46.19 45.80 7i1b s LEU 10 CO 0.42 -0.02 -0.12 -0.13 0.23 0.00 0.00 176.35 176.73 7i1b s ARG 11 N 0.57 0.84 0.96 1.70 0.52 0.38 -3.60 118.95 120.32 7i1b s ARG 11 Ca -0.07 -0.62 -0.15 0.00 -0.52 0.00 0.00 55.73 54.37 7i1b s ARG 11 Cb -0.10 -0.81 0.18 0.00 0.52 0.00 0.00 34.95 34.74 7i1b s ARG 11 CO -0.00 0.20 1.23 0.16 0.02 0.00 0.00 175.30 176.91 7i1b s ASP 12 N -0.88 3.13 0.00 0.23 -4.77 -0.16 0.85 116.67 115.07 7i1b s ASP 12 Ca 0.01 0.55 0.21 0.00 -3.30 0.00 0.00 52.55 50.03 7i1b s ASP 12 Cb -0.07 -0.81 1.02 0.00 -1.09 0.00 0.00 42.92 41.98 7i1b s ASP 12 CO 0.01 -2.75 1.69 -1.54 0.70 0.00 0.00 175.17 173.28 7i1b n SER 13 N -3.83 0.00 -1.07 2.11 3.41 -1.26 -2.52 113.62 110.47 7i1b n SER 13 Ca 0.12 0.17 0.12 0.00 -0.26 0.00 0.00 58.87 59.02 7i1b n SER 13 Cb 0.60 -0.37 0.16 0.00 -0.26 0.00 0.00 64.21 64.34 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 2.43 -1.43 4.33 7.27 -1.26 -4.97 117.38 122.39 7i1b n GLN 14 Ca 0.08 -2.13 0.00 0.00 0.07 0.00 0.00 57.00 55.03 7i1b n GLN 14 Cb 0.20 -1.49 0.00 0.00 2.41 0.00 0.00 30.24 31.36 7i1b n GLN 14 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 7i1b n GLN 15 N 1.44 0.00 -4.07 3.69 7.27 -1.05 -5.10 117.38 119.57 7i1b n GLN 15 Ca 0.17 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 57.11 7i1b n GLN 15 Cb 0.61 -1.54 -0.12 0.00 2.41 0.00 0.00 30.24 31.60 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 -3.00 0.46 0.39 3.69 1.02 -1.26 -4.66 119.74 116.39 7i1b s LYS 16 Ca 0.00 -0.59 0.08 0.00 0.02 0.00 0.00 55.97 55.48 7i1b s LYS 16 Cb 0.00 -0.26 -0.02 0.00 -0.52 0.00 0.00 37.83 37.02 7i1b s LYS 16 CO 0.00 0.05 0.35 -1.12 -0.92 0.00 0.00 175.35 173.71 7i1b s SER 17 N -1.19 5.09 -0.11 2.83 0.01 -0.89 -0.99 113.70 118.45 7i1b s SER 17 Ca -0.08 -0.69 -0.05 0.00 1.31 0.00 0.00 55.95 56.45 7i1b s SER 17 Cb -0.08 -0.67 -0.04 0.00 0.21 0.00 0.00 66.02 65.44 7i1b s SER 17 CO 0.00 -0.57 0.08 -0.76 0.41 0.00 0.00 173.24 172.40 7i1b s LEU 18 N -4.09 4.04 0.03 2.44 1.43 -1.24 -2.22 118.68 119.08 7i1b s LEU 18 Ca 0.46 0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.91 7i1b s LEU 18 Cb -0.04 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 7i1b s LEU 18 CO 0.27 0.38 -0.10 0.68 0.23 0.00 0.00 176.35 177.82 7i1b s VAL 19 N -0.90 0.74 -1.03 -1.59 -7.23 0.62 -2.63 120.40 108.38 7i1b s VAL 19 Ca 0.14 -0.89 -0.20 0.00 -1.81 0.00 0.00 61.98 59.22 7i1b s VAL 19 Cb -0.12 -0.71 0.10 0.00 0.56 0.00 0.00 36.38 36.21 7i1b s VAL 19 CO 0.03 -0.14 1.33 0.00 -0.31 0.00 0.00 175.10 176.01 7i1b s MET 20 N -1.14 3.69 0.17 4.82 0.23 -1.26 -0.17 119.30 125.63 7i1b s MET 20 Ca -0.03 -1.66 0.24 0.00 -1.03 0.00 0.00 55.69 53.21 7i1b s MET 20 Cb -0.08 -5.15 0.91 0.00 -1.53 0.00 0.00 34.83 28.99 7i1b s MET 20 CO 0.01 -1.97 1.73 0.45 -2.03 0.00 0.00 175.02 173.21 7i1b n SER 21 N 7.42 0.52 -3.23 -1.18 2.88 -1.08 -4.86 113.62 114.09 7i1b n SER 21 Ca 0.31 0.59 -0.12 0.00 -1.33 0.00 0.00 58.87 58.31 7i1b n SER 21 Cb 0.49 -0.71 -0.02 0.00 -0.75 0.00 0.00 64.21 63.21 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 -3.40 1.00 0.04 0.46 0.00 -0.75 -5.00 107.32 99.67 7i1b s GLY 22 Ca 0.08 -1.18 -0.21 0.00 0.00 0.00 0.00 44.72 43.41 7i1b s GLY 22 CO 0.46 -0.72 1.32 -2.55 0.00 0.00 0.00 173.10 171.61 7i1b h PRO 23 N 2.09 -0.66 -0.72 2.90 0.11 -2.02 -3.21 132.00 130.49 7i1b h PRO 23 Ca -0.29 0.04 -0.45 0.00 0.11 0.00 0.00 66.00 65.42 7i1b h PRO 23 Cb 1.24 0.15 -0.26 0.00 0.11 0.00 0.00 31.00 32.25 7i1b h PRO 23 CO 0.39 -0.44 0.18 0.66 -0.21 0.00 0.00 178.00 178.57 7i1b n TYR 24 N -4.08 2.35 -3.85 0.65 4.01 -1.26 -4.94 117.16 110.05 7i1b n TYR 24 Ca -0.08 -2.15 -0.18 0.00 -0.16 0.00 0.00 57.90 55.33 7i1b n TYR 24 Cb 0.28 -0.81 -0.17 0.00 -0.31 0.00 0.00 39.34 38.34 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 0.21 0.20 -0.72 2.02 -1.21 -4.49 118.70 111.23 7i1b s GLU 25 Ca 0.54 0.14 0.10 0.00 0.02 0.00 0.00 54.97 55.77 7i1b s GLU 25 Cb 0.45 -0.49 -0.04 0.00 0.10 0.00 0.00 34.13 34.15 7i1b s GLU 25 CO 0.02 -0.18 -0.13 -0.51 0.02 0.00 0.00 175.26 174.48 7i1b s LEU 26 N 1.28 2.82 -0.00 1.80 1.43 -1.26 -1.81 118.68 122.94 7i1b s LEU 26 Ca -0.06 -0.69 0.02 0.00 -1.03 0.00 0.00 54.13 52.36 7i1b s LEU 26 Cb -0.13 -1.50 -0.00 0.00 0.03 0.00 0.00 46.19 44.59 7i1b s LEU 26 CO -0.02 0.10 -0.05 -0.54 0.23 0.00 0.00 176.35 176.06 7i1b s LYS 27 N -2.90 0.41 -0.26 1.70 1.02 0.76 -2.37 119.74 118.10 7i1b s LYS 27 Ca 0.25 -0.18 -0.05 0.00 0.02 0.00 0.00 55.97 56.01 7i1b s LYS 27 Cb -0.08 -0.40 -0.00 0.00 -0.52 0.00 0.00 37.83 36.83 7i1b s LYS 27 CO 0.14 0.10 0.03 0.00 -0.92 0.00 0.00 175.35 174.70 7i1b s ALA 28 N -0.10 2.97 0.34 5.17 0.00 -1.10 -0.27 121.76 128.78 7i1b s ALA 28 Ca 0.02 -1.29 -0.07 0.00 0.00 0.00 0.00 51.96 50.62 7i1b s ALA 28 Cb -0.02 -1.95 0.01 0.00 0.00 0.00 0.00 23.12 21.16 7i1b s ALA 28 CO -0.00 -0.66 0.55 -0.48 0.00 0.00 0.00 175.76 175.17 7i1b s LEU 29 N 1.50 0.71 0.20 0.00 0.05 -0.94 -4.02 118.68 116.17 7i1b s LEU 29 Ca 0.04 -1.35 -0.30 0.00 0.05 0.00 0.00 54.13 52.57 7i1b s LEU 29 Cb -0.16 1.83 -0.09 0.00 -2.05 0.00 0.00 46.19 45.72 7i1b s LEU 29 CO 0.00 -1.38 1.33 -1.00 -0.55 0.00 0.00 176.35 174.75 7i1b s HIS 30 N -2.97 3.23 -0.05 3.48 3.76 -1.26 -2.10 115.29 119.39 7i1b s HIS 30 Ca 0.26 1.18 -0.01 0.00 -0.15 0.00 0.00 55.06 56.35 7i1b s HIS 30 Cb -0.02 -3.63 0.03 0.00 1.11 0.00 0.00 32.58 30.07 7i1b s HIS 30 CO 0.17 -2.00 0.01 -1.17 -0.85 0.00 0.00 174.74 170.90 7i1b s LEU 31 N -0.06 0.77 0.14 0.89 2.96 -1.26 -4.92 118.68 117.21 7i1b s LEU 31 Ca 0.57 -0.03 -0.20 0.00 -0.22 0.00 0.00 54.13 54.26 7i1b s LEU 31 Cb -0.37 -0.29 0.05 0.00 0.50 0.00 0.00 46.19 46.08 7i1b s LEU 31 CO 0.38 -0.16 0.51 -1.58 -1.32 0.00 0.00 176.35 174.18 7i1b s GLN 32 N 1.57 1.18 0.00 1.98 -0.44 -1.26 -4.90 119.66 117.79 7i1b s GLN 32 Ca -0.02 -0.59 0.00 0.00 -2.50 0.00 0.00 55.36 52.26 7i1b s GLN 32 Cb -0.13 0.53 0.00 0.00 -1.64 0.00 0.00 33.01 31.78 7i1b s GLN 32 CO -0.03 -0.49 0.00 0.41 0.50 0.00 0.00 175.29 175.68 7i1b n GLY 33 N -0.31 -1.22 0.16 2.59 0.00 -1.26 -3.81 105.19 101.34 7i1b n GLY 33 Ca -0.16 -1.58 0.04 0.00 0.00 0.00 0.00 46.02 44.32 7i1b n GLY 33 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 7i1b n GLN 34 N -1.11 0.06 0.00 1.61 6.02 -1.26 0.40 117.38 123.10 7i1b n GLN 34 Ca 0.00 0.52 0.09 0.00 -0.01 0.00 0.00 57.00 57.60 7i1b n GLN 34 Cb 0.00 -2.15 0.52 0.00 1.02 0.00 0.00 30.24 29.64 7i1b n GLN 34 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 7i1b n ASP 35 N -1.91 0.00 0.24 1.08 -0.08 -1.25 -2.91 116.55 111.72 7i1b n ASP 35 Ca -0.01 -0.50 0.09 0.00 -1.51 0.00 0.00 54.79 52.86 7i1b n ASP 35 Cb 0.47 -0.03 0.60 0.00 2.34 0.00 0.00 41.12 44.49 7i1b n ASP 35 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 7i1b h MET 36 N 0.00 0.00 0.00 -0.67 -0.00 -0.25 -1.96 114.93 112.04 7i1b h MET 36 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 7i1b h MET 36 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.62 7i1b h MET 36 CO 0.00 0.17 0.21 -0.85 -0.00 0.00 0.00 176.91 176.44 7i1b n GLU 37 N -3.98 0.07 -0.57 -0.10 0.28 -1.15 -0.22 120.64 114.98 7i1b n GLU 37 Ca -0.02 0.52 -0.06 0.00 -0.16 0.00 0.00 57.16 57.43 7i1b n GLU 37 Cb 0.25 -1.94 0.14 0.00 1.43 0.00 0.00 31.44 31.32 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 -1.88 2.15 -3.84 3.44 6.02 -0.74 -4.87 117.38 117.67 7i1b n GLN 38 Ca -0.01 -1.57 -0.36 0.00 -0.01 0.00 0.00 57.00 55.05 7i1b n GLN 38 Cb 0.22 -1.71 -0.07 0.00 1.02 0.00 0.00 30.24 29.70 7i1b n GLN 38 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 7i1b s GLN 39 N -1.77 3.74 0.70 -1.09 -2.07 0.70 -4.69 119.66 115.17 7i1b s GLN 39 Ca 0.29 -0.18 -0.08 0.00 -1.82 0.00 0.00 55.36 53.57 7i1b s GLN 39 Cb 0.23 -3.27 0.05 0.00 -1.09 0.00 0.00 33.01 28.93 7i1b s GLN 39 CO 0.07 0.58 1.03 0.08 -1.32 0.00 0.00 175.29 175.72 7i1b s VAL 40 N -0.44 2.63 -0.04 3.63 1.01 -1.08 -5.03 120.40 121.09 7i1b s VAL 40 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.00 7i1b s VAL 40 Cb -0.12 -3.14 0.03 0.00 0.00 0.00 0.00 36.38 33.15 7i1b s VAL 40 CO 0.02 -0.16 0.00 -0.69 0.00 0.00 0.00 175.10 174.27 7i1b s VAL 41 N -3.26 0.21 0.49 2.92 1.01 -1.26 -4.77 120.40 115.74 7i1b s VAL 41 Ca 0.59 0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.75 7i1b s VAL 41 Cb -0.11 -0.32 0.04 0.00 0.00 0.00 0.00 36.38 36.00 7i1b s VAL 41 CO 0.46 0.17 0.66 -0.36 0.00 0.00 0.00 175.10 176.03 7i1b s PHE 42 N 1.19 2.15 -0.37 5.22 0.40 -0.86 -2.88 117.98 122.83 7i1b s PHE 42 Ca -0.07 -0.56 0.01 0.00 -0.60 0.00 0.00 56.93 55.71 7i1b s PHE 42 Cb -0.13 -2.29 0.12 0.00 0.51 0.00 0.00 43.02 41.23 7i1b s PHE 42 CO -0.02 -0.75 0.17 0.45 0.70 0.00 0.00 175.22 175.77 7i1b s SER 43 N -4.49 3.75 0.28 1.36 0.15 0.22 -1.80 113.70 113.17 7i1b s SER 43 Ca 0.58 -2.13 -0.29 0.00 0.70 0.00 0.00 55.95 54.80 7i1b s SER 43 Cb -0.08 -0.89 -0.09 0.00 -1.71 0.00 0.00 66.02 63.25 7i1b s SER 43 CO 0.35 -0.34 1.13 -0.32 1.20 0.00 0.00 173.24 175.27 7i1b s MET 44 N 1.01 4.59 -0.06 5.44 1.75 0.22 -2.64 119.30 129.61 7i1b s MET 44 Ca 0.14 1.86 -0.00 0.00 -1.25 0.00 0.00 55.69 56.44 7i1b s MET 44 Cb -0.21 -3.18 0.02 0.00 2.84 0.00 0.00 34.83 34.30 7i1b s MET 44 CO -0.11 0.13 -0.03 -1.12 -0.65 0.00 0.00 175.02 173.24 7i1b s SER 45 N -0.72 1.36 -0.29 1.11 0.01 -0.61 0.29 113.70 114.85 7i1b s SER 45 Ca 0.46 -0.14 -0.29 0.00 1.31 0.00 0.00 55.95 57.29 7i1b s SER 45 Cb -0.33 -0.50 -0.01 0.00 0.21 0.00 0.00 66.02 65.39 7i1b s SER 45 CO 0.42 -0.11 1.48 -0.36 0.41 0.00 0.00 173.24 175.08 7i1b s PHE 46 N 1.41 2.34 0.14 2.43 0.08 -1.20 -0.85 117.98 122.32 7i1b s PHE 46 Ca -0.03 0.69 0.01 0.00 0.12 0.00 0.00 56.93 57.71 7i1b s PHE 46 Cb -0.13 -4.02 0.01 0.00 -0.57 0.00 0.00 43.02 38.30 7i1b s PHE 46 CO -0.03 -2.34 0.07 1.33 -0.10 0.00 0.00 175.22 174.15 7i1b n VAL 47 N 6.53 0.00 -3.50 -0.44 0.24 -0.99 -4.61 118.33 115.55 7i1b n VAL 47 Ca 0.17 -0.58 -0.34 0.00 -2.04 0.00 0.00 64.34 61.55 7i1b n VAL 47 Cb 0.46 -0.19 -0.05 0.00 -1.47 0.00 0.00 33.84 32.58 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 -2.53 3.82 0.00 7.34 2.00 -0.25 -4.73 119.66 125.30 7i1b s GLN 48 Ca 0.05 0.26 0.00 0.00 -2.00 0.00 0.00 55.36 53.66 7i1b s GLN 48 Cb -0.00 -2.93 0.00 0.00 0.80 0.00 0.00 33.01 30.88 7i1b s GLN 48 CO 0.03 0.50 0.00 0.41 -0.50 0.00 0.00 175.29 175.73 7i1b n GLY 49 N 0.69 -0.99 3.55 2.59 0.00 -1.26 -4.60 105.19 105.17 7i1b n GLY 49 Ca -0.06 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 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 0.12 -1.95 1.61 1.02 -1.26 -4.81 120.64 115.37 7i1b n GLU 50 Ca 0.00 -1.56 -0.24 0.00 -0.02 0.00 0.00 57.16 55.34 7i1b n GLU 50 Cb 0.00 -3.78 -0.05 0.00 -0.02 0.00 0.00 31.44 27.58 7i1b n GLU 50 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 7i1b s GLU 51 N 8.42 2.36 0.00 3.49 2.12 -1.26 -4.78 118.70 129.05 7i1b s GLU 51 Ca 0.79 -0.09 0.00 0.00 0.36 0.00 0.00 54.97 56.03 7i1b s GLU 51 Cb -0.06 -4.98 0.00 0.00 0.26 0.00 0.00 34.13 29.35 7i1b s GLU 51 CO 0.17 -3.57 0.00 0.45 -0.54 0.00 0.00 175.26 171.77 7i1b n SER 52 N 14.89 0.00 -0.00 -1.70 2.88 -1.23 -5.01 113.62 123.45 7i1b n SER 52 Ca 0.41 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.78 7i1b n SER 52 Cb 0.46 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.78 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 1.69 -0.00 -3.46 5.15 -1.26 -4.47 115.26 112.91 7i1b n ASN 53 Ca 0.00 0.28 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 7i1b n ASN 53 Cb 0.00 -0.59 -0.00 0.00 -0.53 0.00 0.00 39.78 38.66 7i1b n ASN 53 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 7i1b n ASP 54 N -3.33 0.45 -4.67 1.20 9.92 -1.26 -5.00 116.55 113.86 7i1b n ASP 54 Ca -0.27 -0.72 -0.40 0.00 -0.53 0.00 0.00 54.79 52.87 7i1b n ASP 54 Cb 1.05 0.56 -0.06 0.00 -0.64 0.00 0.00 41.12 42.03 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 -0.56 4.25 -0.49 -1.24 1.02 -1.26 -4.23 119.74 117.23 7i1b s LYS 55 Ca 0.00 0.60 0.03 0.00 0.02 0.00 0.00 55.97 56.62 7i1b s LYS 55 Cb 0.00 -3.55 0.13 0.00 -0.52 0.00 0.00 37.83 33.89 7i1b s LYS 55 CO 0.00 -0.16 0.25 0.42 -0.92 0.00 0.00 175.35 174.94 7i1b s ILE 56 N 1.63 2.10 0.13 2.17 1.01 -0.89 -3.55 121.20 123.80 7i1b s ILE 56 Ca 0.29 -3.00 -0.31 0.00 0.00 0.00 0.00 60.65 57.62 7i1b s ILE 56 Cb -0.16 -2.46 -0.10 0.00 0.01 0.00 0.00 42.46 39.75 7i1b s ILE 56 CO 0.11 -0.84 1.75 -2.84 0.00 0.00 0.00 174.94 173.13 7i1b s PRO 57 N -0.02 4.15 0.00 2.79 0.02 -1.26 -1.77 135.00 138.91 7i1b s PRO 57 Ca 0.17 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.72 7i1b s PRO 57 Cb -0.25 -3.47 0.00 0.00 0.02 0.00 0.00 34.50 30.80 7i1b s PRO 57 CO 0.00 -0.79 0.00 1.33 -0.33 0.00 0.00 177.00 177.22 7i1b n VAL 58 N 4.54 0.00 -3.66 3.83 0.24 -0.92 -2.35 118.33 120.01 7i1b n VAL 58 Ca 0.17 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.29 7i1b n VAL 58 Cb 0.38 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.59 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 -0.07 -0.48 2.33 0.00 -0.03 -2.59 121.76 118.91 7i1b s ALA 59 Ca 0.00 0.46 -0.18 0.00 0.00 0.00 0.00 51.96 52.24 7i1b s ALA 59 Cb 0.00 -0.79 0.05 0.00 0.00 0.00 0.00 23.12 22.38 7i1b s ALA 59 CO 0.00 -0.57 0.55 -0.51 0.00 0.00 0.00 175.76 175.23 7i1b s LEU 60 N 2.27 5.06 -0.09 0.00 1.43 -1.26 -1.57 118.68 124.53 7i1b s LEU 60 Ca 0.04 -0.93 0.03 0.00 -1.03 0.00 0.00 54.13 52.23 7i1b s LEU 60 Cb -0.12 -2.40 0.01 0.00 0.03 0.00 0.00 46.19 43.71 7i1b s LEU 60 CO -0.05 -0.79 -0.16 -0.83 0.23 0.00 0.00 176.35 174.75 7i1b s GLY 61 N 2.50 1.00 0.07 -3.19 0.00 -1.08 -2.51 107.32 104.11 7i1b s GLY 61 Ca 0.13 -0.65 -0.36 0.00 0.00 0.00 0.00 44.72 43.84 7i1b s GLY 61 CO 0.11 0.04 1.50 1.04 0.00 0.00 0.00 173.10 175.80 7i1b n LEU 62 N 3.86 2.39 0.23 0.66 4.77 -0.67 -0.61 117.00 127.62 7i1b n LEU 62 Ca -0.21 1.09 -0.11 0.00 -0.03 0.00 0.00 56.01 56.75 7i1b n LEU 62 Cb 0.52 -1.29 -0.06 0.00 -2.33 0.00 0.00 43.42 40.26 7i1b n LEU 62 CO 0.26 -0.64 0.52 0.50 -1.33 0.00 0.00 177.39 176.70 7i1b h LYS 63 N 5.62 -0.64 0.34 3.23 3.64 -1.77 -3.27 116.57 123.72 7i1b h LYS 63 Ca -0.47 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 58.95 7i1b h LYS 63 Cb 1.30 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 33.25 7i1b h LYS 63 CO 0.85 -0.43 -0.29 0.93 -2.27 0.00 0.00 179.45 178.24 7i1b h GLU 64 N -0.67 -0.61 -7.36 1.90 5.08 -1.90 -3.44 114.58 107.59 7i1b h GLU 64 Ca -0.06 0.04 -0.46 0.00 -1.00 0.00 0.00 59.36 57.88 7i1b h GLU 64 Cb 0.54 0.14 0.11 0.00 0.50 0.00 0.00 28.75 30.04 7i1b h GLU 64 CO 0.04 -0.41 0.22 0.15 -1.00 0.00 0.00 179.01 178.01 7i1b s LYS 65 N -6.05 1.31 -0.38 2.33 1.02 -1.23 -5.01 119.74 111.73 7i1b s LYS 65 Ca -0.16 -0.89 0.05 0.00 0.02 0.00 0.00 55.97 55.00 7i1b s LYS 65 Cb 0.06 -2.17 0.48 0.00 -0.52 0.00 0.00 37.83 35.68 7i1b s LYS 65 CO 0.64 -1.79 1.50 0.27 -0.92 0.00 0.00 175.35 175.05 7i1b n ASN 66 N -3.16 4.62 -4.73 2.83 6.94 -1.26 -4.35 115.26 116.15 7i1b n ASN 66 Ca 0.15 -3.78 -0.38 0.00 -0.02 0.00 0.00 54.58 50.56 7i1b n ASN 66 Cb 0.60 -0.60 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 7i1b n ASN 66 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 7i1b s LEU 67 N -3.52 4.28 -0.15 -4.53 1.43 -1.26 -2.70 118.68 112.22 7i1b s LEU 67 Ca 0.52 0.78 0.01 0.00 -1.03 0.00 0.00 54.13 54.41 7i1b s LEU 67 Cb 0.43 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 44.01 7i1b s LEU 67 CO 0.01 0.03 -0.18 -0.31 0.23 0.00 0.00 176.35 176.14 7i1b s TYR 68 N 0.50 2.75 0.52 0.29 1.51 -1.01 -1.68 117.35 120.23 7i1b s TYR 68 Ca 0.25 -1.17 -0.21 0.00 -1.01 0.00 0.00 57.07 54.92 7i1b s TYR 68 Cb -0.15 -1.87 -0.08 0.00 -0.11 0.00 0.00 41.96 39.76 7i1b s TYR 68 CO 0.10 -0.54 0.98 1.28 -1.11 0.00 0.00 175.55 176.26 7i1b n LEU 69 N 4.11 3.16 -3.73 -1.29 4.32 -1.05 -2.57 117.00 119.95 7i1b n LEU 69 Ca -0.19 0.91 -0.13 0.00 -0.02 0.00 0.00 56.01 56.58 7i1b n LEU 69 Cb 0.52 -1.37 -0.10 0.00 -1.62 0.00 0.00 43.42 40.84 7i1b n LEU 69 CO 0.28 -1.68 0.10 -0.94 -1.22 0.00 0.00 177.39 173.93 7i1b s SER 70 N -0.99 -0.44 -0.34 -1.43 1.04 0.02 -4.25 113.70 107.32 7i1b s SER 70 Ca 0.69 0.85 -0.17 0.00 0.48 0.00 0.00 55.95 57.80 7i1b s SER 70 Cb -0.48 0.86 -0.01 0.00 0.10 0.00 0.00 66.02 66.50 7i1b s SER 70 CO 0.52 -0.15 0.47 0.00 0.98 0.00 0.00 173.24 175.07 7i1b s VAL 72 N 2.29 1.54 -0.03 0.00 -7.23 -0.98 -4.74 120.40 111.26 7i1b s VAL 72 Ca 0.17 -1.69 -0.22 0.00 -1.81 0.00 0.00 61.98 58.43 7i1b s VAL 72 Cb -0.16 -1.58 -0.05 0.00 0.56 0.00 0.00 36.38 35.16 7i1b s VAL 72 CO 0.12 -0.28 0.64 -0.76 -0.31 0.00 0.00 175.10 174.52 7i1b s LEU 73 N -2.31 4.38 -0.80 1.32 1.43 -1.26 -1.20 118.68 120.24 7i1b s LEU 73 Ca 0.09 1.18 0.02 0.00 -1.03 0.00 0.00 54.13 54.39 7i1b s LEU 73 Cb -0.07 -3.00 0.20 0.00 0.03 0.00 0.00 46.19 43.35 7i1b s LEU 73 CO 0.04 0.01 0.64 0.29 0.23 0.00 0.00 176.35 177.56 7i1b n LYS 74 N 3.16 2.23 -1.86 1.70 5.02 0.62 -4.64 118.16 124.38 7i1b n LYS 74 Ca -0.04 -4.50 0.00 0.00 -2.02 0.00 0.00 58.31 51.75 7i1b n LYS 74 Cb 0.51 -2.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.18 7i1b n LYS 74 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 7i1b n ASP 75 N 2.07 -1.80 0.00 4.39 8.00 -1.26 -3.51 116.55 124.44 7i1b n ASP 75 Ca 0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.71 7i1b n ASP 75 Cb 0.36 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 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 -0.59 -4.62 -4.17 -2.24 8.00 -1.26 -4.96 116.55 106.71 7i1b n ASP 76 Ca 0.00 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.15 7i1b n ASP 76 Cb 0.45 -2.26 -0.13 0.00 -0.02 0.00 0.00 41.12 39.15 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 -1.17 2.37 0.47 -1.24 2.47 -1.23 -5.06 119.74 116.35 7i1b s LYS 77 Ca 0.00 -1.34 -0.23 0.00 -1.56 0.00 0.00 55.97 52.84 7i1b s LYS 77 Cb 0.00 -3.25 -0.09 0.00 -1.46 0.00 0.00 37.83 33.03 7i1b s LYS 77 CO 0.00 -0.69 1.10 -2.30 0.16 0.00 0.00 175.35 173.62 7i1b n PRO 78 N 4.63 1.44 -3.92 4.03 -0.02 -1.26 -0.28 135.00 139.62 7i1b n PRO 78 Ca -0.11 0.52 -0.08 0.00 -2.02 0.00 0.00 63.50 61.80 7i1b n PRO 78 Cb 0.43 -2.21 -0.04 0.00 -0.02 0.00 0.00 33.50 31.66 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 -1.31 0.00 -0.10 3.45 2.01 -0.34 -4.77 115.64 114.58 7i1b s THR 79 Ca 0.66 -1.18 -0.04 0.00 0.31 0.00 0.00 61.69 61.44 7i1b s THR 79 Cb -0.50 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 7i1b s THR 79 CO 0.54 -0.02 0.05 -0.22 -0.69 0.00 0.00 174.62 174.28 7i1b s LEU 80 N -2.96 3.85 0.07 4.42 2.96 -1.26 -2.31 118.68 123.44 7i1b s LEU 80 Ca 0.17 0.25 -0.21 0.00 -0.22 0.00 0.00 54.13 54.12 7i1b s LEU 80 Cb -0.02 -1.90 0.05 0.00 0.50 0.00 0.00 46.19 44.81 7i1b s LEU 80 CO 0.07 0.38 0.49 -1.58 -1.32 0.00 0.00 176.35 174.39 7i1b s GLN 81 N -0.88 1.04 -0.24 1.98 0.74 -0.86 -4.82 119.66 116.63 7i1b s GLN 81 Ca 0.13 -0.35 -0.11 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 34.42 7i1b s GLN 81 CO 0.03 -0.39 0.20 -0.51 -0.55 0.00 0.00 175.29 174.07 7i1b s LEU 82 N -2.17 4.12 -0.18 3.68 1.43 -1.26 -0.80 118.68 123.50 7i1b s LEU 82 Ca -0.03 0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.25 7i1b s LEU 82 Cb -0.00 -2.18 0.02 0.00 0.03 0.00 0.00 46.19 44.06 7i1b s LEU 82 CO -0.04 0.03 -0.20 -0.70 0.23 0.00 0.00 176.35 175.67 7i1b s GLU 83 N 1.15 3.00 -0.23 1.70 2.56 -1.06 -4.93 118.70 120.88 7i1b s GLU 83 Ca 0.09 -0.83 -0.29 0.00 0.00 0.00 0.00 54.97 53.95 7i1b s GLU 83 Cb -0.14 -2.57 -0.03 0.00 2.00 0.00 0.00 34.13 33.40 7i1b s GLU 83 CO 0.05 -0.19 1.70 -1.12 -0.56 0.00 0.00 175.26 175.14 7i1b s SER 84 N 1.25 6.24 0.20 -1.70 0.01 -1.26 -2.41 113.70 116.03 7i1b s SER 84 Ca 0.04 1.62 0.01 0.00 1.31 0.00 0.00 55.95 58.93 7i1b s SER 84 Cb -0.13 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.58 7i1b s SER 84 CO -0.12 -1.37 0.11 1.33 0.41 0.00 0.00 173.24 173.60 7i1b n VAL 85 N 6.63 0.00 -2.30 3.43 0.24 -1.10 -4.99 118.33 120.24 7i1b n VAL 85 Ca 0.20 -0.22 -0.43 0.00 -2.04 0.00 0.00 64.34 61.86 7i1b n VAL 85 Cb 0.45 -1.08 -0.02 0.00 -1.47 0.00 0.00 33.84 31.72 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 -1.46 6.66 0.00 -1.34 2.15 -1.26 -4.86 116.67 116.57 7i1b s ASP 86 Ca 0.08 1.54 0.12 0.00 0.43 0.00 0.00 52.55 54.72 7i1b s ASP 86 Cb -0.01 -2.54 0.63 0.00 -0.30 0.00 0.00 42.92 40.71 7i1b s ASP 86 CO 0.05 -1.03 1.29 -0.81 -0.17 0.00 0.00 175.17 174.49 7i1b n PRO 87 N 7.21 0.20 -0.08 4.34 -0.04 -1.26 -1.98 135.00 143.39 7i1b n PRO 87 Ca 0.16 0.15 -0.12 0.00 -0.04 0.00 0.00 63.50 63.64 7i1b n PRO 87 Cb 0.45 -1.50 -0.07 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 -1.25 0.40 0.03 0.54 5.02 -1.26 -4.67 118.16 116.97 7i1b n LYS 88 Ca 0.06 0.10 -0.08 0.00 -2.02 0.00 0.00 58.31 56.38 7i1b n LYS 88 Cb 0.09 -1.30 -0.13 0.00 -0.02 0.00 0.00 35.03 33.67 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 -0.09 0.00 -3.03 4.39 -0.26 -1.96 -3.46 115.58 111.17 7i1b h ASN 89 Ca -0.38 0.00 -0.56 0.00 -0.56 0.00 0.00 56.30 54.80 7i1b h ASN 89 Cb 1.54 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.78 7i1b h ASN 89 CO -0.09 1.00 -0.32 -0.31 -1.06 0.00 0.00 177.43 176.65 7i1b s TYR 90 N -2.66 3.48 0.01 1.19 2.02 -0.84 -4.40 117.35 116.14 7i1b s TYR 90 Ca -0.01 0.46 -0.00 0.00 -0.37 0.00 0.00 57.07 57.15 7i1b s TYR 90 Cb 0.09 -1.94 0.00 0.00 -0.40 0.00 0.00 41.96 39.71 7i1b s TYR 90 CO 0.82 0.40 0.01 -0.35 -1.57 0.00 0.00 175.55 174.86 7i1b n PRO 91 N -0.26 -0.26 -3.87 -1.71 -0.04 -1.26 -4.76 135.00 122.83 7i1b n PRO 91 Ca -0.03 -0.01 -0.05 0.00 -0.04 0.00 0.00 63.50 63.36 7i1b n PRO 91 Cb 0.53 -0.01 0.02 0.00 -0.04 0.00 0.00 33.50 34.00 7i1b n PRO 91 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 7i1b s LYS 92 N -3.02 1.63 0.01 0.54 -2.85 -1.26 -4.72 119.74 110.07 7i1b s LYS 92 Ca 0.01 -1.06 -0.25 0.00 -1.00 0.00 0.00 55.97 53.67 7i1b s LYS 92 Cb -0.00 0.45 -0.18 0.00 -2.06 0.00 0.00 37.83 36.03 7i1b s LYS 92 CO 0.00 -0.76 1.38 -0.22 0.10 0.00 0.00 175.35 175.85 7i1b h LYS 93 N 2.00 -0.05 -6.03 1.78 3.64 -1.93 -3.44 116.57 112.53 7i1b h LYS 93 Ca -0.29 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.49 7i1b h LYS 93 Cb 1.23 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.02 7i1b h LYS 93 CO 0.38 0.29 -0.42 0.21 -2.27 0.00 0.00 179.45 177.65 7i1b s LYS 94 N -4.79 3.51 0.06 1.90 2.20 -1.26 -1.09 119.74 120.26 7i1b s LYS 94 Ca -0.15 -0.32 -0.06 0.00 -0.36 0.00 0.00 55.97 55.08 7i1b s LYS 94 Cb 0.03 -2.95 -0.01 0.00 -1.51 0.00 0.00 37.83 33.38 7i1b s LYS 94 CO 0.65 0.54 0.11 -1.64 -0.36 0.00 0.00 175.35 174.65 7i1b s MET 95 N -2.67 0.70 0.43 4.03 -1.94 -1.26 -4.97 119.30 113.62 7i1b s MET 95 Ca 0.37 -0.92 -0.24 0.00 -1.71 0.00 0.00 55.69 53.19 7i1b s MET 95 Cb -0.12 0.27 -0.08 0.00 2.01 0.00 0.00 34.83 36.91 7i1b s MET 95 CO 0.27 -0.19 1.11 -1.21 -0.01 0.00 0.00 175.02 174.99 7i1b s GLU 96 N -3.37 3.97 0.57 2.03 2.02 -1.26 -4.81 118.70 117.85 7i1b s GLU 96 Ca 0.01 1.65 0.36 0.00 0.02 0.00 0.00 54.97 57.01 7i1b s GLU 96 Cb 0.03 -2.48 1.45 0.00 0.10 0.00 0.00 34.13 33.23 7i1b s GLU 96 CO -0.08 -0.34 1.68 0.87 0.02 0.00 0.00 175.26 177.41 7i1b h LYS 97 N 2.29 0.00 -0.10 1.61 6.56 -1.93 0.29 116.57 125.29 7i1b h LYS 97 Ca -0.49 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.09 7i1b h LYS 97 Cb 1.23 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.89 7i1b h LYS 97 CO 0.61 0.00 0.03 0.00 -2.06 0.00 0.00 179.45 178.04 7i1b h ARG 98 N 0.00 0.15 -0.01 3.15 3.08 -1.89 -2.54 114.38 116.33 7i1b h ARG 98 Ca 0.54 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.56 7i1b h ARG 98 Cb 2.44 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 32.47 7i1b h ARG 98 CO -0.01 0.29 0.00 1.19 -1.07 0.00 0.00 179.97 180.37 7i1b n PHE 99 N -4.91 0.01 -3.50 3.04 3.72 0.95 -2.93 117.46 113.85 7i1b n PHE 99 Ca -0.06 -0.01 -0.38 0.00 -0.05 0.00 0.00 57.45 56.95 7i1b n PHE 99 Cb 0.13 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.57 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 -1.99 5.25 -0.19 -4.37 1.01 -0.72 -4.35 120.40 115.04 7i1b s VAL 100 Ca 0.42 0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.79 7i1b s VAL 100 Cb 0.21 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 33.00 7i1b s VAL 100 CO 0.34 0.22 -0.19 -0.36 0.00 0.00 0.00 175.10 175.12 7i1b s PHE 101 N 1.78 2.82 -0.60 5.22 0.40 -1.07 -2.29 117.98 124.26 7i1b s PHE 101 Ca 0.11 -1.67 -0.27 0.00 -0.60 0.00 0.00 56.93 54.50 7i1b s PHE 101 Cb -0.16 -1.93 -0.00 0.00 0.51 0.00 0.00 43.02 41.44 7i1b s PHE 101 CO 0.10 -0.80 1.62 -0.80 0.70 0.00 0.00 175.22 176.03 7i1b s ASN 102 N 1.28 5.74 -0.43 1.36 0.02 -0.77 -2.16 114.94 119.98 7i1b s ASN 102 Ca 0.04 0.26 -0.29 0.00 -1.02 0.00 0.00 52.86 51.85 7i1b s ASN 102 Cb -0.14 -2.54 0.02 0.00 0.02 0.00 0.00 41.25 38.61 7i1b s ASN 102 CO -0.12 -2.03 1.34 -0.75 0.02 0.00 0.00 177.10 175.57 7i1b s LYS 103 N 6.23 3.61 0.20 -0.60 2.20 -0.73 -2.59 119.74 128.06 7i1b s LYS 103 Ca 0.58 0.83 0.06 0.00 -0.36 0.00 0.00 55.97 57.08 7i1b s LYS 103 Cb -0.12 -4.00 -0.04 0.00 -1.51 0.00 0.00 37.83 32.17 7i1b s LYS 103 CO 0.22 -1.53 0.14 0.42 -0.36 0.00 0.00 175.35 174.24 7i1b s ILE 104 N 5.19 4.38 -0.18 5.43 1.01 -0.48 -2.10 121.20 134.45 7i1b s ILE 104 Ca 0.58 -1.24 0.01 0.00 0.00 0.00 0.00 60.65 60.00 7i1b s ILE 104 Cb -0.12 -3.28 0.03 0.00 0.01 0.00 0.00 42.46 39.10 7i1b s ILE 104 CO 0.33 -0.20 -0.15 -1.61 0.00 0.00 0.00 174.94 173.31 7i1b s GLU 105 N -3.35 2.48 -0.01 2.79 2.02 -1.26 -1.39 118.70 119.99 7i1b s GLU 105 Ca 0.31 -0.81 0.01 0.00 0.02 0.00 0.00 54.97 54.50 7i1b s GLU 105 Cb -0.09 -2.43 0.01 0.00 0.10 0.00 0.00 34.13 31.72 7i1b s GLU 105 CO 0.23 -0.31 -0.02 0.42 0.02 0.00 0.00 175.26 175.61 7i1b s ILE 106 N 1.35 0.18 -1.58 -1.63 1.01 0.52 -4.84 121.20 116.22 7i1b s ILE 106 Ca 0.02 -0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.53 7i1b s ILE 106 Cb -0.14 -0.20 0.09 0.00 0.01 0.00 0.00 42.46 42.22 7i1b s ILE 106 CO -0.10 0.08 0.62 0.59 0.00 0.00 0.00 174.94 176.13 7i1b n ASN 107 N 3.39 -2.07 -2.27 3.58 4.13 -1.26 0.95 115.26 121.71 7i1b n ASN 107 Ca -0.17 -1.01 -0.20 0.00 1.68 0.00 0.00 54.58 54.88 7i1b n ASN 107 Cb 0.56 -2.88 -0.02 0.00 -1.54 0.00 0.00 39.78 35.90 7i1b n ASN 107 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 7i1b n ASN 108 N -2.80 -5.63 -4.28 6.41 4.13 -1.26 -4.96 115.26 106.87 7i1b n ASN 108 Ca -0.09 0.09 -0.15 0.00 1.68 0.00 0.00 54.58 56.11 7i1b n ASN 108 Cb 0.58 -4.74 -0.10 0.00 -1.54 0.00 0.00 39.78 33.98 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 -4.82 1.15 0.08 3.52 -0.14 0.27 -5.06 119.74 114.74 7i1b s LYS 109 Ca 0.00 -1.52 0.03 0.00 -1.36 0.00 0.00 55.97 53.12 7i1b s LYS 109 Cb 0.00 -0.67 -0.04 0.00 -1.68 0.00 0.00 37.83 35.44 7i1b s LYS 109 CO 0.00 0.04 0.08 -0.51 -0.76 0.00 0.00 175.35 174.20 7i1b s LEU 110 N -3.21 3.81 -0.09 3.17 1.43 -1.05 -0.36 118.68 122.38 7i1b s LEU 110 Ca 0.20 -0.00 -0.03 0.00 -1.03 0.00 0.00 54.13 53.27 7i1b s LEU 110 Cb 0.03 -2.48 0.05 0.00 0.03 0.00 0.00 46.19 43.81 7i1b s LEU 110 CO 0.03 0.18 0.11 -1.61 0.23 0.00 0.00 176.35 175.29 7i1b s GLU 111 N -2.37 0.00 -0.37 1.70 2.02 -0.48 -1.26 118.70 117.94 7i1b s GLU 111 Ca 0.29 0.33 -0.17 0.00 0.02 0.00 0.00 54.97 55.45 7i1b s GLU 111 Cb -0.12 -0.75 0.00 0.00 0.10 0.00 0.00 34.13 33.36 7i1b s GLU 111 CO 0.22 -0.41 0.43 -0.06 0.02 0.00 0.00 175.26 175.45 7i1b s PHE 112 N 2.22 3.19 -0.14 1.61 0.08 -1.26 -1.39 117.98 122.28 7i1b s PHE 112 Ca 0.04 -0.09 -0.08 0.00 0.12 0.00 0.00 56.93 56.93 7i1b s PHE 112 Cb -0.13 -2.81 -0.04 0.00 -0.57 0.00 0.00 43.02 39.46 7i1b s PHE 112 CO -0.06 -0.55 0.13 -2.00 -0.10 0.00 0.00 175.22 172.65 7i1b s GLU 113 N 2.16 3.65 -0.42 0.44 2.12 -1.07 -2.22 118.70 123.36 7i1b s GLU 113 Ca 0.14 -0.17 -0.28 0.00 0.36 0.00 0.00 54.97 55.02 7i1b s GLU 113 Cb -0.16 -3.25 -0.03 0.00 0.26 0.00 0.00 34.13 30.95 7i1b s GLU 113 CO 0.13 0.63 1.90 0.45 -0.54 0.00 0.00 175.26 177.83 7i1b s SER 114 N -0.60 5.55 0.61 -1.70 0.15 -0.41 -1.84 113.70 115.46 7i1b s SER 114 Ca 0.13 1.05 0.17 0.00 0.70 0.00 0.00 55.95 58.00 7i1b s SER 114 Cb -0.12 -2.52 0.94 0.00 -1.71 0.00 0.00 66.02 62.61 7i1b s SER 114 CO 0.02 -2.02 1.51 0.00 1.20 0.00 0.00 173.24 173.95 7i1b h ALA 115 N 14.23 1.54 0.00 5.45 0.00 -1.60 -0.07 119.26 138.81 7i1b h ALA 115 Ca -0.31 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 7i1b h ALA 115 Cb 1.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 7i1b h ALA 115 CO 1.09 -0.54 -0.14 0.37 0.00 0.00 0.00 179.25 180.03 7i1b h GLN 116 N 0.00 0.00 -3.94 0.00 4.15 -1.80 -3.43 115.11 110.09 7i1b h GLN 116 Ca 0.00 0.00 -0.70 0.00 0.77 0.00 0.00 58.65 58.72 7i1b h GLN 116 Cb 1.12 0.00 -0.35 0.00 0.21 0.00 0.00 27.48 28.46 7i1b h GLN 116 CO 0.00 0.36 -0.44 -0.06 -1.93 0.00 0.00 178.83 176.76 7i1b s PHE 117 N -1.88 3.47 0.82 3.99 0.08 -0.04 -5.09 117.98 119.34 7i1b s PHE 117 Ca -0.09 -2.59 -0.13 0.00 0.12 0.00 0.00 56.93 54.24 7i1b s PHE 117 Cb -0.00 -3.21 0.09 0.00 -0.57 0.00 0.00 43.02 39.33 7i1b s PHE 117 CO 0.27 -0.89 1.18 -2.30 -0.10 0.00 0.00 175.22 173.37 7i1b n PRO 118 N 3.93 0.09 0.00 0.24 -0.02 -1.20 -2.38 135.00 135.65 7i1b n PRO 118 Ca 0.04 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 7i1b n PRO 118 Cb 0.39 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 7i1b n PRO 118 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 7i1b n ASN 119 N -3.34 0.00 -4.40 2.55 4.13 -1.26 -4.97 115.26 107.96 7i1b n ASN 119 Ca 0.13 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 56.02 7i1b n ASN 119 Cb 0.51 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.62 7i1b n ASN 119 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 7i1b s TRP 120 N -2.21 3.12 0.54 3.10 0.52 -1.00 -4.50 118.94 118.50 7i1b s TRP 120 Ca 0.00 -0.66 0.01 0.00 0.02 0.00 0.00 56.10 55.47 7i1b s TRP 120 Cb 0.00 -2.27 0.01 0.00 -1.15 0.00 0.00 33.47 30.07 7i1b s TRP 120 CO 0.00 -0.46 0.12 0.66 0.02 0.00 0.00 176.95 177.29 7i1b n TYR 121 N 4.91 0.70 -3.03 -1.98 4.02 -0.91 -1.29 117.16 119.58 7i1b n TYR 121 Ca -0.15 -2.53 -0.40 0.00 -0.01 0.00 0.00 57.90 54.81 7i1b n TYR 121 Cb 0.50 -0.38 -0.05 0.00 -0.02 0.00 0.00 39.34 39.39 7i1b n TYR 121 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 7i1b s ILE 122 N -2.86 4.98 0.17 -0.72 1.01 -0.94 -1.48 121.20 121.36 7i1b s ILE 122 Ca 0.09 1.38 0.03 0.00 0.00 0.00 0.00 60.65 62.15 7i1b s ILE 122 Cb -0.01 -4.02 -0.05 0.00 0.01 0.00 0.00 42.46 38.39 7i1b s ILE 122 CO 0.06 0.11 -0.03 -0.44 0.00 0.00 0.00 174.94 174.64 7i1b s SER 123 N 1.10 1.53 0.16 3.58 0.01 -0.47 -4.47 113.70 115.13 7i1b s SER 123 Ca 0.33 -1.13 0.06 0.00 1.31 0.00 0.00 55.95 56.53 7i1b s SER 123 Cb -0.16 0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.08 7i1b s SER 123 CO 0.12 -0.48 -0.13 0.42 0.41 0.00 0.00 173.24 173.58 7i1b s THR 124 N -3.50 1.44 -0.23 1.44 -4.23 -0.79 -2.56 115.64 107.20 7i1b s THR 124 Ca 0.22 -1.98 -0.21 0.00 -1.18 0.00 0.00 61.69 58.54 7i1b s THR 124 Cb 0.05 -1.80 -0.02 0.00 1.34 0.00 0.00 72.50 72.07 7i1b s THR 124 CO 0.04 -0.56 0.66 -0.55 -0.54 0.00 0.00 174.62 173.66 7i1b s SER 125 N -2.94 6.65 0.56 3.99 0.15 -1.26 -2.71 113.70 118.13 7i1b s SER 125 Ca 0.16 0.80 0.36 0.00 0.70 0.00 0.00 55.95 57.97 7i1b s SER 125 Cb -0.01 -2.36 1.51 0.00 -1.71 0.00 0.00 66.02 63.45 7i1b s SER 125 CO 0.04 -0.36 1.75 -0.61 1.20 0.00 0.00 173.24 175.26 7i1b h GLN 126 N 7.72 0.00 -6.55 5.44 4.15 -1.97 -3.41 115.11 120.48 7i1b h GLN 126 Ca -0.28 0.00 -0.47 0.00 0.77 0.00 0.00 58.65 58.67 7i1b h GLN 126 Cb 1.13 0.00 0.24 0.00 0.21 0.00 0.00 27.48 29.05 7i1b h GLN 126 CO 0.79 0.00 -1.35 0.00 -1.93 0.00 0.00 178.83 176.34 7i1b n ALA 127 N -2.69 -4.35 -2.41 3.38 0.00 -1.26 -4.93 120.51 108.25 7i1b n ALA 127 Ca 0.25 -1.23 -0.38 0.00 0.00 0.00 0.00 53.44 52.07 7i1b n ALA 127 Cb 1.28 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 19.26 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 -3.17 4.18 -0.42 0.00 2.02 -1.26 -4.57 118.70 115.47 7i1b s GLU 128 Ca 0.52 0.64 -0.24 0.00 0.02 0.00 0.00 54.97 55.91 7i1b s GLU 128 Cb -0.09 -3.28 0.03 0.00 0.10 0.00 0.00 34.13 30.90 7i1b s GLU 128 CO 0.67 0.55 0.59 -1.71 0.02 0.00 0.00 175.26 175.37 7i1b n ASN 129 N 2.14 -6.96 -3.88 -0.19 5.15 -1.26 -5.03 115.26 105.23 7i1b n ASN 129 Ca -0.10 0.29 -0.12 0.00 -0.60 0.00 0.00 54.58 54.06 7i1b n ASN 129 Cb 0.51 -3.83 -0.14 0.00 -0.53 0.00 0.00 39.78 35.80 7i1b n ASN 129 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 7i1b s MET 130 N -2.47 0.05 0.42 1.20 -1.94 -1.26 -5.01 119.30 110.29 7i1b s MET 130 Ca 0.29 -0.05 -0.26 0.00 -1.71 0.00 0.00 55.69 53.95 7i1b s MET 130 Cb -0.05 0.02 -0.09 0.00 2.01 0.00 0.00 34.83 36.72 7i1b s MET 130 CO 0.79 -0.01 1.41 -1.25 -0.01 0.00 0.00 175.02 175.95 7i1b s PRO 131 N -0.16 3.85 0.69 2.03 0.04 -1.26 -2.71 135.00 137.48 7i1b s PRO 131 Ca -0.02 2.38 -0.11 0.00 0.04 0.00 0.00 61.00 63.29 7i1b s PRO 131 Cb -0.01 -2.75 0.01 0.00 0.04 0.00 0.00 34.50 31.79 7i1b s PRO 131 CO -0.00 -0.67 1.06 0.08 0.04 0.00 0.00 177.00 177.51 7i1b s VAL 132 N -1.20 3.93 0.29 -0.36 1.01 -1.00 -4.69 120.40 118.38 7i1b s VAL 132 Ca 0.58 0.66 -0.19 0.00 0.00 0.00 0.00 61.98 63.03 7i1b s VAL 132 Cb -0.43 -3.35 0.06 0.00 0.00 0.00 0.00 36.38 32.67 7i1b s VAL 132 CO 0.56 -0.79 0.90 0.72 0.00 0.00 0.00 175.10 176.49 7i1b s PHE 133 N -2.96 0.09 -0.21 5.22 -0.71 -1.06 -4.88 117.98 113.46 7i1b s PHE 133 Ca 0.59 -0.63 -0.11 0.00 -1.04 0.00 0.00 56.93 55.75 7i1b s PHE 133 Cb -0.15 0.77 -0.05 0.00 -1.21 0.00 0.00 43.02 42.39 7i1b s PHE 133 CO 0.53 -1.26 0.15 -1.17 -1.34 0.00 0.00 175.22 172.14 7i1b s LEU 134 N -3.21 4.18 0.05 -1.99 2.96 -1.26 -1.37 118.68 118.03 7i1b s LEU 134 Ca 0.18 0.22 0.06 0.00 -0.22 0.00 0.00 54.13 54.36 7i1b s LEU 134 Cb -0.04 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 7i1b s LEU 134 CO 0.08 0.13 -0.16 -0.83 -1.32 0.00 0.00 176.35 174.26 7i1b s GLY 135 N 0.60 0.89 -0.87 7.98 0.00 -0.55 -4.69 107.32 110.68 7i1b s GLY 135 Ca 0.09 -0.91 -0.01 0.00 0.00 0.00 0.00 44.72 43.88 7i1b s GLY 135 CO 0.01 -0.88 1.89 0.61 0.00 0.00 0.00 173.10 174.72 7i1b n GLY 136 N 1.80 5.73 2.72 0.20 0.00 -1.26 -2.15 105.19 112.22 7i1b n GLY 136 Ca -0.18 -2.53 -0.30 0.00 0.00 0.00 0.00 46.02 43.01 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 -4.89 1.05 -0.68 2.61 2.01 -1.26 -4.99 115.64 109.49 7i1b s THR 137 Ca 0.48 -1.85 -0.26 0.00 0.31 0.00 0.00 61.69 60.37 7i1b s THR 137 Cb 0.36 -1.77 -0.07 0.00 0.01 0.00 0.00 72.50 71.04 7i1b s THR 137 CO -0.32 -0.77 2.15 -0.54 -0.69 0.00 0.00 174.62 174.45 7i1b s LYS 138 N 1.12 2.23 7.87 4.92 1.02 -1.26 -4.60 119.74 131.04 7i1b s LYS 138 Ca 0.13 0.61 0.00 0.00 0.02 0.00 0.00 55.97 56.74 7i1b s LYS 138 Cb -0.20 -4.68 0.00 0.00 -0.52 0.00 0.00 37.83 32.43 7i1b s LYS 138 CO -0.14 -3.40 0.00 0.41 -0.92 0.00 0.00 175.35 171.30 7i1b n GLY 139 N 6.28 2.20 7.00 -3.33 0.00 -1.26 -4.96 105.19 111.12 7i1b n GLY 139 Ca 0.35 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 4.11 0.08 -0.02 0.00 -1.26 -2.65 105.19 105.46 7i1b n GLY 140 Ca 0.00 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 12.95 1.19 -2.38 1.61 0.00 -1.26 -4.95 117.38 124.54 7i1b n GLN 141 Ca 0.00 0.02 -0.41 0.00 -0.00 0.00 0.00 57.00 56.61 7i1b n GLN 141 Cb 0.00 -1.42 -0.03 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 -5.19 7.10 -0.70 1.69 1.01 -1.08 -4.76 116.67 114.74 7i1b s ASP 142 Ca -0.12 2.27 -0.25 0.00 0.71 0.00 0.00 52.55 55.16 7i1b s ASP 142 Cb 0.05 -2.61 0.05 0.00 1.01 0.00 0.00 42.92 41.42 7i1b s ASP 142 CO 0.63 -0.34 1.12 -0.63 0.21 0.00 0.00 175.17 176.16 7i1b s ILE 143 N -0.30 4.02 -0.13 0.77 1.01 -1.10 -4.38 121.20 121.09 7i1b s ILE 143 Ca 0.51 0.05 0.18 0.00 0.00 0.00 0.00 60.65 61.40 7i1b s ILE 143 Cb -0.33 -4.80 -0.19 0.00 0.01 0.00 0.00 42.46 37.15 7i1b s ILE 143 CO 0.38 -1.65 0.62 0.35 0.00 0.00 0.00 174.94 174.64 7i1b n THR 144 N 6.17 0.99 -1.11 2.92 -2.24 -1.26 -1.88 114.28 117.86 7i1b n THR 144 Ca -0.00 -0.68 -0.29 0.00 -2.27 0.00 0.00 64.05 60.80 7i1b n THR 144 Cb 0.47 -0.53 0.16 0.00 -2.10 0.00 0.00 70.33 68.33 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 -5.47 2.97 0.22 3.42 1.47 -1.26 -4.61 116.67 113.41 7i1b s ASP 145 Ca -0.05 1.44 -0.06 0.00 1.18 0.00 0.00 52.55 55.06 7i1b s ASP 145 Cb 0.09 -2.11 0.02 0.00 -0.34 0.00 0.00 42.92 40.58 7i1b s ASP 145 CO 0.83 -2.95 0.40 0.49 0.68 0.00 0.00 175.17 174.62 7i1b n PHE 146 N -4.08 -1.51 -3.59 2.11 3.72 -0.39 -4.26 117.46 109.47 7i1b n PHE 146 Ca 0.06 -1.22 -0.12 0.00 -0.05 0.00 0.00 57.45 56.12 7i1b n PHE 146 Cb 0.56 0.46 -0.11 0.00 -0.94 0.00 0.00 39.48 39.44 7i1b n PHE 146 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 7i1b s THR 147 N -2.55 -0.49 0.25 4.37 -4.23 0.25 -2.52 115.64 110.73 7i1b s THR 147 Ca 0.13 0.15 -0.02 0.00 -1.18 0.00 0.00 61.69 60.76 7i1b s THR 147 Cb -0.02 -0.58 -0.04 0.00 1.34 0.00 0.00 72.50 73.19 7i1b s THR 147 CO 0.09 0.03 0.47 -0.32 -0.54 0.00 0.00 174.62 174.35 7i1b s MET 148 N 2.47 3.56 -0.11 3.99 1.75 -1.26 -0.47 119.30 129.22 7i1b s MET 148 Ca 0.03 -0.22 -0.04 0.00 -1.25 0.00 0.00 55.69 54.22 7i1b s MET 148 Cb -0.13 -2.75 0.05 0.00 2.84 0.00 0.00 34.83 34.84 7i1b s MET 148 CO -0.11 0.30 0.12 -0.65 -0.65 0.00 0.00 175.02 174.03 7i1b s GLN 149 N -3.53 0.03 0.72 4.11 -1.52 -1.03 -4.97 119.66 113.47 7i1b s GLN 149 Ca 0.41 0.27 -0.16 0.00 -1.95 0.00 0.00 55.36 53.93 7i1b s GLN 149 Cb -0.11 -0.94 0.03 0.00 -0.22 0.00 0.00 33.01 31.78 7i1b s GLN 149 CO 0.30 -0.47 1.25 -0.06 -0.25 0.00 0.00 175.29 176.06 7i1b s PHE 150 N 2.22 1.95 0.00 0.91 0.40 -1.26 -1.98 117.98 120.21 7i1b s PHE 150 Ca 0.04 1.57 0.00 0.00 -0.60 0.00 0.00 56.93 57.94 7i1b s PHE 150 Cb -0.14 -3.60 0.00 0.00 0.51 0.00 0.00 43.02 39.79 7i1b s PHE 150 CO -0.07 -2.89 0.00 1.33 0.70 0.00 0.00 175.22 174.29 7i1b n VAL 151 N -2.55 0.00 -4.12 -0.44 0.24 -0.96 -4.85 118.33 105.64 7i1b n VAL 151 Ca 0.15 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.35 7i1b n VAL 151 Cb 0.49 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.77 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 -0.75 0.28 0.00 -1.34 0.01 -1.26 -4.84 113.70 105.79 7i1b s SER 152 Ca 0.00 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.10 7i1b s SER 152 Cb 0.00 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.54 7i1b s SER 152 CO 0.00 -0.75 0.00 -1.20 0.41 0.00 0.00 173.24 171.70