#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 1.37 -1.22 0.00 -0.04 -1.26 -4.76 135.00 129.09 7i1b n PRO 2 Ca 0.00 -1.70 0.00 0.00 -0.04 0.00 0.00 63.50 61.76 7i1b n PRO 2 Cb 0.00 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 30.64 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 5.93 0.00 -3.62 0.52 0.31 -1.26 -4.75 118.33 115.46 7i1b n VAL 3 Ca 0.48 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.68 7i1b n VAL 3 Cb 0.38 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.18 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 -0.92 0.17 0.73 5.55 0.52 -1.26 -5.04 118.95 118.70 7i1b s ARG 4 Ca 0.00 0.69 -0.06 0.00 -0.52 0.00 0.00 55.73 55.83 7i1b s ARG 4 Cb 0.00 -0.18 0.09 0.00 0.52 0.00 0.00 34.95 35.38 7i1b s ARG 4 CO 0.00 -0.35 1.04 -1.12 0.02 0.00 0.00 175.30 174.89 7i1b s SER 5 N 2.43 4.57 -0.30 0.23 0.01 -1.26 -2.83 113.70 116.55 7i1b s SER 5 Ca 0.02 0.29 -0.11 0.00 1.31 0.00 0.00 55.95 57.47 7i1b s SER 5 Cb -0.13 -0.84 0.15 0.00 0.21 0.00 0.00 66.02 65.41 7i1b s SER 5 CO -0.10 -1.75 0.79 -0.22 0.41 0.00 0.00 173.24 172.37 7i1b s LEU 6 N -5.28 -0.94 0.36 2.44 2.96 0.45 -4.90 118.68 113.77 7i1b s LEU 6 Ca 0.62 1.14 -0.26 0.00 -0.22 0.00 0.00 54.13 55.42 7i1b s LEU 6 Cb -0.09 2.01 -0.09 0.00 0.50 0.00 0.00 46.19 48.52 7i1b s LEU 6 CO 0.45 -0.18 1.09 0.20 -1.32 0.00 0.00 176.35 176.59 7i1b s ASN 7 N 2.74 6.86 -0.26 3.68 0.01 -1.26 0.10 114.94 126.81 7i1b s ASN 7 Ca -0.01 2.17 -0.27 0.00 -0.71 0.00 0.00 52.86 54.04 7i1b s ASN 7 Cb -0.10 -2.60 0.16 0.00 0.41 0.00 0.00 41.25 39.11 7i1b s ASN 7 CO -0.18 -0.43 1.21 0.00 -1.51 0.00 0.00 177.10 176.19 7i1b s THR 9 N -0.42 2.42 -0.00 0.00 -4.23 -0.88 -1.35 115.64 111.18 7i1b s THR 9 Ca 0.04 -0.98 0.01 0.00 -1.18 0.00 0.00 61.69 59.58 7i1b s THR 9 Cb -0.03 -2.43 -0.00 0.00 1.34 0.00 0.00 72.50 71.37 7i1b s THR 9 CO -0.07 0.00 -0.02 -0.76 -0.54 0.00 0.00 174.62 173.22 7i1b s LEU 10 N -4.59 1.97 0.03 4.79 1.43 -1.26 -2.44 118.68 118.62 7i1b s LEU 10 Ca 0.60 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.68 7i1b s LEU 10 Cb -0.07 -0.12 -0.02 0.00 0.03 0.00 0.00 46.19 46.01 7i1b s LEU 10 CO 0.37 0.02 -0.08 -0.13 0.23 0.00 0.00 176.35 176.76 7i1b s ARG 11 N -0.02 0.58 0.93 1.70 0.52 -0.17 -3.58 118.95 118.90 7i1b s ARG 11 Ca 0.01 -0.61 -0.14 0.00 -0.52 0.00 0.00 55.73 54.46 7i1b s ARG 11 Cb -0.01 -0.46 0.18 0.00 0.52 0.00 0.00 34.95 35.18 7i1b s ARG 11 CO -0.00 0.10 1.28 0.16 0.02 0.00 0.00 175.30 176.86 7i1b s ASP 12 N -1.12 3.34 0.47 0.23 -4.77 -0.61 -0.59 116.67 113.63 7i1b s ASP 12 Ca -0.04 0.25 0.32 0.00 -3.30 0.00 0.00 52.55 49.77 7i1b s ASP 12 Cb -0.07 -0.36 1.67 0.00 -1.09 0.00 0.00 42.92 43.07 7i1b s ASP 12 CO 0.00 -2.59 1.98 0.77 0.70 0.00 0.00 175.17 176.03 7i1b h SER 13 N -1.50 0.00 -0.15 2.11 4.64 -1.88 0.51 113.55 117.29 7i1b h SER 13 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 7i1b h SER 13 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 7i1b h SER 13 CO 0.40 0.00 0.00 1.67 -0.87 0.00 0.00 176.83 178.03 7i1b n GLN 14 N -2.65 1.78 -0.99 4.77 -0.06 -1.26 -4.89 117.38 114.07 7i1b n GLN 14 Ca -0.02 -1.16 0.00 0.00 -2.00 0.00 0.00 57.00 53.82 7i1b n GLN 14 Cb 0.09 -1.42 0.00 0.00 -4.06 0.00 0.00 30.24 24.85 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 0.39 -0.02 -1.48 3.69 7.27 0.17 -5.01 117.38 122.39 7i1b n GLN 15 Ca 0.17 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 56.93 7i1b n GLN 15 Cb 0.36 -2.74 0.07 0.00 2.41 0.00 0.00 30.24 30.33 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 -0.03 2.60 0.36 3.69 1.02 -1.26 -4.74 119.74 121.38 7i1b s LYS 16 Ca 0.00 1.15 0.08 0.00 0.02 0.00 0.00 55.97 57.22 7i1b s LYS 16 Cb 0.00 -1.94 -0.05 0.00 -0.52 0.00 0.00 37.83 35.32 7i1b s LYS 16 CO 0.00 -1.37 0.07 -1.12 -0.92 0.00 0.00 175.35 172.01 7i1b s SER 17 N -3.33 4.29 -0.14 2.83 0.01 -0.99 -1.57 113.70 114.81 7i1b s SER 17 Ca 0.61 -1.01 -0.09 0.00 1.31 0.00 0.00 55.95 56.77 7i1b s SER 17 Cb -0.17 -0.54 -0.05 0.00 0.21 0.00 0.00 66.02 65.48 7i1b s SER 17 CO 0.52 -0.34 0.18 -0.76 0.41 0.00 0.00 173.24 173.25 7i1b s LEU 18 N -3.78 4.32 0.04 2.44 1.43 -1.24 -2.32 118.68 119.57 7i1b s LEU 18 Ca 0.37 0.43 0.06 0.00 -1.03 0.00 0.00 54.13 53.96 7i1b s LEU 18 Cb 0.01 -2.15 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 7i1b s LEU 18 CO 0.21 0.29 -0.17 0.68 0.23 0.00 0.00 176.35 177.59 7i1b s VAL 19 N -0.41 1.33 -0.78 -1.59 -7.23 0.71 -2.52 120.40 109.91 7i1b s VAL 19 Ca 0.14 -1.07 -0.24 0.00 -1.81 0.00 0.00 61.98 58.99 7i1b s VAL 19 Cb -0.12 -1.18 0.05 0.00 0.56 0.00 0.00 36.38 35.69 7i1b s VAL 19 CO 0.03 0.09 1.21 0.00 -0.31 0.00 0.00 175.10 176.12 7i1b s MET 20 N -1.13 3.27 0.00 4.82 0.23 -1.26 -0.22 119.30 125.00 7i1b s MET 20 Ca 0.04 -0.67 0.00 0.00 -1.03 0.00 0.00 55.69 54.03 7i1b s MET 20 Cb -0.08 -4.45 0.00 0.00 -1.53 0.00 0.00 34.83 28.77 7i1b s MET 20 CO 0.01 -2.04 0.07 -1.13 -2.03 0.00 0.00 175.02 169.90 7i1b n SER 21 N 8.62 0.00 -4.03 -1.18 3.41 -0.11 -4.93 113.62 115.39 7i1b n SER 21 Ca 0.08 0.07 -0.29 0.00 -0.26 0.00 0.00 58.87 58.46 7i1b n SER 21 Cb 0.48 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.63 7i1b n SER 21 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 7i1b s GLY 22 N -0.35 1.81 0.09 5.00 0.00 -0.82 -4.92 107.32 108.14 7i1b s GLY 22 Ca 0.00 -1.35 -0.33 0.00 0.00 0.00 0.00 44.72 43.04 7i1b s GLY 22 CO 0.00 -0.55 1.59 -2.55 0.00 0.00 0.00 173.10 171.60 7i1b h PRO 23 N -1.66 -0.83 -0.81 2.90 0.11 -2.03 -2.95 132.00 126.73 7i1b h PRO 23 Ca -0.43 0.06 -0.51 0.00 0.11 0.00 0.00 66.00 65.22 7i1b h PRO 23 Cb 1.22 0.19 -0.28 0.00 0.11 0.00 0.00 31.00 32.24 7i1b h PRO 23 CO 0.33 -0.55 0.28 0.66 -0.21 0.00 0.00 178.00 178.51 7i1b n TYR 24 N -5.51 2.64 -3.77 0.65 4.01 -1.26 -4.94 117.16 108.98 7i1b n TYR 24 Ca -0.11 -2.33 -0.14 0.00 -0.16 0.00 0.00 57.90 55.16 7i1b n TYR 24 Cb 0.41 -0.92 -0.14 0.00 -0.31 0.00 0.00 39.34 38.37 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 -3.55 0.07 0.20 -0.72 2.02 -1.11 -4.29 118.70 111.31 7i1b s GLU 25 Ca 0.56 0.30 0.09 0.00 0.02 0.00 0.00 54.97 55.95 7i1b s GLU 25 Cb 0.46 -0.15 -0.04 0.00 0.10 0.00 0.00 34.13 34.49 7i1b s GLU 25 CO 0.02 -0.14 -0.18 -0.51 0.02 0.00 0.00 175.26 174.47 7i1b s LEU 26 N 0.97 2.49 0.09 1.80 1.02 -1.26 -0.94 118.68 122.86 7i1b s LEU 26 Ca -0.08 -0.93 0.02 0.00 0.02 0.00 0.00 54.13 53.17 7i1b s LEU 26 Cb -0.10 -0.89 -0.04 0.00 0.02 0.00 0.00 46.19 45.18 7i1b s LEU 26 CO -0.04 -0.03 -0.07 -0.54 0.02 0.00 0.00 176.35 175.68 7i1b s LYS 27 N -3.11 0.81 -0.27 1.70 1.02 0.69 -0.12 119.74 120.46 7i1b s LYS 27 Ca 0.21 -1.24 -0.03 0.00 0.02 0.00 0.00 55.97 54.93 7i1b s LYS 27 Cb -0.05 -0.28 0.03 0.00 -0.52 0.00 0.00 37.83 37.01 7i1b s LYS 27 CO 0.09 0.01 -0.02 0.00 -0.92 0.00 0.00 175.35 174.51 7i1b s ALA 28 N -3.16 2.80 0.32 5.17 0.00 -1.10 -0.21 121.76 125.58 7i1b s ALA 28 Ca 0.08 -1.55 -0.01 0.00 0.00 0.00 0.00 51.96 50.49 7i1b s ALA 28 Cb 0.02 -1.84 -0.01 0.00 0.00 0.00 0.00 23.12 21.29 7i1b s ALA 28 CO -0.03 -0.97 0.39 -0.48 0.00 0.00 0.00 175.76 174.67 7i1b s LEU 29 N 1.33 1.17 0.19 0.00 0.05 -0.98 -4.25 118.68 116.19 7i1b s LEU 29 Ca -0.01 -1.51 -0.30 0.00 0.05 0.00 0.00 54.13 52.36 7i1b s LEU 29 Cb -0.18 1.16 -0.08 0.00 -2.05 0.00 0.00 46.19 45.04 7i1b s LEU 29 CO -0.02 -1.19 1.15 -1.00 -0.55 0.00 0.00 176.35 174.73 7i1b s HIS 30 N -3.31 3.51 -0.05 3.48 3.76 -1.26 -2.34 115.29 119.08 7i1b s HIS 30 Ca 0.33 1.53 0.00 0.00 -0.15 0.00 0.00 55.06 56.77 7i1b s HIS 30 Cb 0.01 -3.35 0.02 0.00 1.11 0.00 0.00 32.58 30.37 7i1b s HIS 30 CO 0.21 -0.88 -0.02 -1.17 -0.85 0.00 0.00 174.74 172.02 7i1b s LEU 31 N -0.41 1.14 0.07 0.89 2.96 -1.26 -4.95 118.68 117.11 7i1b s LEU 31 Ca 0.50 -0.09 -0.26 0.00 -0.22 0.00 0.00 54.13 54.06 7i1b s LEU 31 Cb -0.31 -0.39 0.07 0.00 0.50 0.00 0.00 46.19 46.06 7i1b s LEU 31 CO 0.36 -0.09 0.65 -1.58 -1.32 0.00 0.00 176.35 174.37 7i1b s GLN 32 N 1.16 1.17 0.62 1.98 0.74 -1.26 -4.92 119.66 119.15 7i1b s GLN 32 Ca -0.07 -0.19 0.00 0.00 0.05 0.00 0.00 55.36 55.15 7i1b s GLN 32 Cb -0.14 0.54 0.00 0.00 1.10 0.00 0.00 33.01 34.52 7i1b s GLN 32 CO -0.01 -0.46 0.00 0.41 -0.55 0.00 0.00 175.29 174.67 7i1b n GLY 33 N 0.11 -1.90 0.20 2.59 0.00 -1.26 -4.00 105.19 100.94 7i1b n GLY 33 Ca -0.17 -1.69 0.13 0.00 0.00 0.00 0.00 46.02 44.29 7i1b n GLY 33 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 7i1b h GLN 34 N 0.00 0.00 0.00 1.61 4.20 -2.06 0.65 115.11 119.51 7i1b h GLN 34 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 7i1b h GLN 34 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 7i1b h GLN 34 CO 0.00 0.00 0.00 -3.47 -0.67 0.00 0.00 178.83 174.69 7i1b n ASP 35 N -2.43 0.00 -0.25 1.46 -0.08 -1.26 -3.16 116.55 110.84 7i1b n ASP 35 Ca -0.02 0.24 0.16 0.00 -1.51 0.00 0.00 54.79 53.66 7i1b n ASP 35 Cb 0.07 -0.38 0.45 0.00 2.34 0.00 0.00 41.12 43.60 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 0.51 0.00 -0.67 4.05 -1.06 0.17 114.93 117.93 7i1b h MET 36 Ca 0.00 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 7i1b h MET 36 Cb 0.21 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 7i1b h MET 36 CO 0.00 0.34 0.18 -0.85 0.23 0.00 0.00 176.91 176.81 7i1b n GLU 37 N -4.55 0.00 -0.57 0.39 0.28 -1.19 -0.51 120.64 114.50 7i1b n GLU 37 Ca 0.18 0.24 -0.07 0.00 -0.16 0.00 0.00 57.16 57.36 7i1b n GLU 37 Cb 0.60 -1.68 0.13 0.00 1.43 0.00 0.00 31.44 31.92 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 -1.21 2.11 -3.72 3.44 6.02 0.58 -4.87 117.38 119.73 7i1b n GLN 38 Ca 0.00 -1.55 -0.37 0.00 -0.01 0.00 0.00 57.00 55.07 7i1b n GLN 38 Cb 0.18 -1.70 -0.06 0.00 1.02 0.00 0.00 30.24 29.68 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 -1.75 3.64 0.41 -1.09 0.00 0.34 -4.63 119.66 116.57 7i1b s GLN 39 Ca 0.28 0.08 0.03 0.00 -0.00 0.00 0.00 55.36 55.76 7i1b s GLN 39 Cb 0.23 -3.18 -0.00 0.00 0.00 0.00 0.00 33.01 30.05 7i1b s GLN 39 CO 0.06 0.73 0.59 0.08 0.00 0.00 0.00 175.29 176.75 7i1b s VAL 40 N -1.09 3.97 0.09 3.63 1.01 -1.05 -5.00 120.40 121.95 7i1b s VAL 40 Ca 0.20 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.51 7i1b s VAL 40 Cb -0.14 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 7i1b s VAL 40 CO 0.09 -0.24 -0.11 -0.69 0.00 0.00 0.00 175.10 174.15 7i1b s VAL 41 N -2.41 0.96 0.22 2.92 1.01 -1.26 -4.68 120.40 117.16 7i1b s VAL 41 Ca 0.47 -1.52 0.07 0.00 0.00 0.00 0.00 61.98 61.01 7i1b s VAL 41 Cb -0.10 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 7i1b s VAL 41 CO 0.35 -0.46 -0.12 -0.36 0.00 0.00 0.00 175.10 174.51 7i1b s PHE 42 N -2.07 1.73 -0.46 5.22 0.08 -0.45 -2.50 117.98 119.53 7i1b s PHE 42 Ca 0.02 -0.62 0.02 0.00 0.12 0.00 0.00 56.93 56.47 7i1b s PHE 42 Cb -0.05 -0.85 0.12 0.00 -0.57 0.00 0.00 43.02 41.67 7i1b s PHE 42 CO 0.01 0.32 0.22 0.45 -0.10 0.00 0.00 175.22 176.11 7i1b s SER 43 N -3.34 4.77 0.30 1.36 0.15 0.50 -0.71 113.70 116.75 7i1b s SER 43 Ca 0.24 -2.56 -0.29 0.00 0.70 0.00 0.00 55.95 54.04 7i1b s SER 43 Cb 0.00 -1.71 -0.10 0.00 -1.71 0.00 0.00 66.02 62.51 7i1b s SER 43 CO 0.08 -0.35 1.16 -0.32 1.20 0.00 0.00 173.24 175.01 7i1b s MET 44 N 0.36 4.53 0.02 5.44 1.75 0.29 -2.23 119.30 129.46 7i1b s MET 44 Ca 0.14 1.93 0.03 0.00 -1.25 0.00 0.00 55.69 56.53 7i1b s MET 44 Cb -0.22 -3.13 -0.01 0.00 2.84 0.00 0.00 34.83 34.31 7i1b s MET 44 CO -0.04 0.07 -0.10 -1.12 -0.65 0.00 0.00 175.02 173.18 7i1b s SER 45 N -0.78 1.15 -0.49 1.11 0.01 -0.63 0.17 113.70 114.25 7i1b s SER 45 Ca 0.46 -0.31 -0.19 0.00 1.31 0.00 0.00 55.95 57.22 7i1b s SER 45 Cb -0.34 -0.08 0.05 0.00 0.21 0.00 0.00 66.02 65.86 7i1b s SER 45 CO 0.44 0.02 0.61 -0.36 0.41 0.00 0.00 173.24 174.37 7i1b s PHE 46 N -0.61 3.06 0.24 2.43 0.40 -1.13 -1.48 117.98 120.90 7i1b s PHE 46 Ca 0.00 -0.45 0.03 0.00 -0.60 0.00 0.00 56.93 55.92 7i1b s PHE 46 Cb -0.06 -3.44 0.03 0.00 0.51 0.00 0.00 43.02 40.06 7i1b s PHE 46 CO 0.00 -0.97 0.24 1.33 0.70 0.00 0.00 175.22 176.52 7i1b n VAL 47 N 5.64 0.00 -3.46 -0.44 0.24 -1.08 -4.52 118.33 114.70 7i1b n VAL 47 Ca -0.06 -0.89 -0.34 0.00 -2.04 0.00 0.00 64.34 61.01 7i1b n VAL 47 Cb 0.46 -0.49 -0.05 0.00 -1.47 0.00 0.00 33.84 32.29 7i1b n VAL 47 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 7i1b s GLN 48 N -3.02 3.84 0.00 7.34 2.00 0.25 -4.75 119.66 125.32 7i1b s GLN 48 Ca 0.18 0.29 0.00 0.00 -2.00 0.00 0.00 55.36 53.83 7i1b s GLN 48 Cb -0.01 -2.87 0.00 0.00 0.80 0.00 0.00 33.01 30.93 7i1b s GLN 48 CO 0.11 0.46 0.00 0.41 -0.50 0.00 0.00 175.29 175.77 7i1b n GLY 49 N 0.52 -1.09 3.51 2.59 0.00 -1.26 -4.72 105.19 104.74 7i1b n GLY 49 Ca -0.04 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 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 0.26 -1.81 1.61 1.02 -1.26 -4.78 120.64 115.67 7i1b n GLU 50 Ca 0.00 -1.05 -0.20 0.00 -0.02 0.00 0.00 57.16 55.89 7i1b n GLU 50 Cb 0.00 -3.30 -0.07 0.00 -0.02 0.00 0.00 31.44 28.05 7i1b n GLU 50 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 7i1b s GLU 51 N 8.23 1.97 0.00 3.49 2.02 -1.26 -4.78 118.70 128.37 7i1b s GLU 51 Ca 0.83 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 55.62 7i1b s GLU 51 Cb -0.15 -4.98 0.00 0.00 0.10 0.00 0.00 34.13 29.09 7i1b s GLU 51 CO 0.16 -4.23 0.00 0.45 0.02 0.00 0.00 175.26 171.66 7i1b n SER 52 N 16.68 0.00 -0.01 -0.19 2.88 -1.23 -5.03 113.62 126.72 7i1b n SER 52 Ca 0.43 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.84 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 0.59 -1.23 0.00 0.00 175.04 174.40 7i1b n ASN 53 N 0.00 1.30 0.00 -3.46 4.13 -1.26 -4.65 115.26 111.32 7i1b n ASN 53 Ca 0.00 0.34 0.00 0.00 1.68 0.00 0.00 54.58 56.60 7i1b n ASN 53 Cb 0.00 -0.33 0.00 0.00 -1.54 0.00 0.00 39.78 37.91 7i1b n ASN 53 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 7i1b n ASP 54 N -3.19 4.34 -4.60 6.41 9.92 -1.26 -4.98 116.55 123.19 7i1b n ASP 54 Ca -0.22 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.61 7i1b n ASP 54 Cb 1.05 0.20 -0.03 0.00 -0.64 0.00 0.00 41.12 41.71 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 -1.98 3.23 -0.47 -1.24 1.02 -1.26 -4.45 119.74 114.59 7i1b s LYS 55 Ca 0.00 1.55 -0.03 0.00 0.02 0.00 0.00 55.97 57.51 7i1b s LYS 55 Cb 0.00 -4.26 0.13 0.00 -0.52 0.00 0.00 37.83 33.18 7i1b s LYS 55 CO 0.00 -1.98 0.28 0.42 -0.92 0.00 0.00 175.35 173.15 7i1b s ILE 56 N 7.43 3.47 0.02 2.17 1.01 -1.05 -3.51 121.20 130.74 7i1b s ILE 56 Ca 0.85 -2.30 -0.30 0.00 0.00 0.00 0.00 60.65 58.90 7i1b s ILE 56 Cb -0.25 -3.34 -0.08 0.00 0.01 0.00 0.00 42.46 38.81 7i1b s ILE 56 CO 0.33 -0.75 1.88 -2.84 0.00 0.00 0.00 174.94 173.56 7i1b s PRO 57 N 0.81 4.15 0.00 2.79 0.02 -1.26 -2.30 135.00 139.22 7i1b s PRO 57 Ca 0.11 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.64 7i1b s PRO 57 Cb -0.22 -4.07 0.00 0.00 0.02 0.00 0.00 34.50 30.23 7i1b s PRO 57 CO -0.04 -0.92 0.00 1.33 -0.33 0.00 0.00 177.00 177.05 7i1b n VAL 58 N 5.45 0.00 -3.72 3.83 0.24 -0.95 -2.63 118.33 120.56 7i1b n VAL 58 Ca 0.19 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.35 7i1b n VAL 58 Cb 0.41 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.64 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 -0.33 -0.32 2.33 0.00 -0.55 -2.14 121.76 118.76 7i1b s ALA 59 Ca 0.00 0.75 -0.14 0.00 0.00 0.00 0.00 51.96 52.57 7i1b s ALA 59 Cb 0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 7i1b s ALA 59 CO 0.00 -0.31 0.32 -0.51 0.00 0.00 0.00 175.76 175.26 7i1b s LEU 60 N 1.59 4.30 -0.12 0.00 1.43 -1.26 -1.60 118.68 123.02 7i1b s LEU 60 Ca -0.05 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 7i1b s LEU 60 Cb -0.11 -2.30 0.02 0.00 0.03 0.00 0.00 46.19 43.83 7i1b s LEU 60 CO -0.07 -0.25 -0.15 -0.83 0.23 0.00 0.00 176.35 175.29 7i1b s GLY 61 N 1.72 1.05 0.19 -3.19 0.00 -0.94 -2.46 107.32 103.68 7i1b s GLY 61 Ca 0.11 -0.76 -0.33 0.00 0.00 0.00 0.00 44.72 43.74 7i1b s GLY 61 CO 0.11 0.33 1.33 1.04 0.00 0.00 0.00 173.10 175.90 7i1b n LEU 62 N 4.37 2.36 -0.15 0.66 4.77 -0.85 0.19 117.00 128.34 7i1b n LEU 62 Ca -0.18 1.13 -0.09 0.00 -0.03 0.00 0.00 56.01 56.84 7i1b n LEU 62 Cb 0.51 -1.32 0.05 0.00 -2.33 0.00 0.00 43.42 40.33 7i1b n LEU 62 CO 0.23 -0.83 0.75 0.50 -1.33 0.00 0.00 177.39 176.71 7i1b h LYS 63 N 4.12 0.94 0.43 3.23 3.64 -1.76 -3.23 116.57 123.94 7i1b h LYS 63 Ca -0.45 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 58.58 7i1b h LYS 63 Cb 1.30 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 7i1b h LYS 63 CO 0.75 1.01 -0.29 0.93 -2.27 0.00 0.00 179.45 179.58 7i1b h GLU 64 N 0.84 -0.67 0.00 1.90 4.39 -1.89 -3.46 114.58 115.69 7i1b h GLU 64 Ca 0.13 0.05 -0.49 0.00 0.34 0.00 0.00 59.36 59.38 7i1b h GLU 64 Cb 0.67 0.15 -0.10 0.00 -0.10 0.00 0.00 28.75 29.37 7i1b h GLU 64 CO 0.05 -0.45 -0.39 1.63 -1.16 0.00 0.00 179.01 178.69 7i1b n LYS 65 N -5.42 0.76 -1.36 2.33 5.02 -1.22 -5.03 118.16 113.23 7i1b n LYS 65 Ca -0.11 -2.94 -0.26 0.00 -2.02 0.00 0.00 58.31 52.98 7i1b n LYS 65 Cb 0.32 1.31 -0.01 0.00 -0.02 0.00 0.00 35.03 36.63 7i1b n LYS 65 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 7i1b n ASN 66 N -1.49 6.69 -4.50 4.39 0.23 -1.26 -4.06 115.26 115.26 7i1b n ASN 66 Ca -0.09 -3.29 -0.43 0.00 -0.53 0.00 0.00 54.58 50.24 7i1b n ASN 66 Cb 0.52 -1.15 -0.08 0.00 -2.08 0.00 0.00 39.78 36.99 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 -2.43 4.71 -0.19 -4.53 1.43 -1.26 -2.58 118.68 113.83 7i1b s LEU 67 Ca 0.51 -0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 52.96 7i1b s LEU 67 Cb 0.36 -2.51 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 7i1b s LEU 67 CO -0.17 -0.64 0.24 -0.31 0.23 0.00 0.00 176.35 175.71 7i1b s TYR 68 N 2.37 3.40 0.65 0.29 1.51 -0.08 -2.01 117.35 123.48 7i1b s TYR 68 Ca 0.16 0.45 -0.17 0.00 -1.01 0.00 0.00 57.07 56.50 7i1b s TYR 68 Cb -0.16 -2.31 -0.05 0.00 -0.11 0.00 0.00 41.96 39.33 7i1b s TYR 68 CO 0.15 0.17 0.66 1.28 -1.11 0.00 0.00 175.55 176.71 7i1b n LEU 69 N 3.86 1.70 -3.73 -1.29 4.32 -1.03 -1.90 117.00 118.93 7i1b n LEU 69 Ca -0.13 0.69 -0.12 0.00 -0.02 0.00 0.00 56.01 56.42 7i1b n LEU 69 Cb 0.52 -1.26 -0.10 0.00 -1.62 0.00 0.00 43.42 40.96 7i1b n LEU 69 CO 0.38 -2.73 0.06 -0.94 -1.22 0.00 0.00 177.39 172.94 7i1b s SER 70 N -1.35 -0.44 -0.20 -1.43 1.04 0.23 -4.32 113.70 107.23 7i1b s SER 70 Ca 0.70 0.81 -0.14 0.00 0.48 0.00 0.00 55.95 57.80 7i1b s SER 70 Cb -0.39 0.79 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 7i1b s SER 70 CO 0.54 -0.15 0.31 0.00 0.98 0.00 0.00 173.24 174.91 7i1b s VAL 72 N 1.01 0.14 0.08 0.00 -7.23 -1.02 -4.70 120.40 108.68 7i1b s VAL 72 Ca 0.15 -1.14 -0.25 0.00 -1.81 0.00 0.00 61.98 58.93 7i1b s VAL 72 Cb -0.14 -0.95 -0.06 0.00 0.56 0.00 0.00 36.38 35.79 7i1b s VAL 72 CO 0.06 -0.63 0.79 -0.76 -0.31 0.00 0.00 175.10 174.25 7i1b s LEU 73 N -2.21 4.49 -0.66 1.32 1.43 -1.26 -1.28 118.68 120.51 7i1b s LEU 73 Ca -0.04 1.52 0.05 0.00 -1.03 0.00 0.00 54.13 54.63 7i1b s LEU 73 Cb -0.00 -3.28 0.17 0.00 0.03 0.00 0.00 46.19 43.10 7i1b s LEU 73 CO -0.05 0.05 0.46 -0.54 0.23 0.00 0.00 176.35 176.50 7i1b s LYS 74 N -0.28 2.25 0.00 1.70 1.02 0.65 -4.71 119.74 120.38 7i1b s LYS 74 Ca 0.39 -3.16 0.00 0.00 0.02 0.00 0.00 55.97 53.22 7i1b s LYS 74 Cb -0.21 -3.19 0.00 0.00 -0.52 0.00 0.00 37.83 33.91 7i1b s LYS 74 CO 0.24 -1.29 0.00 -0.25 -0.92 0.00 0.00 175.35 173.14 7i1b n ASP 75 N 2.15 -1.67 -0.05 2.83 8.00 -1.26 -3.59 116.55 122.96 7i1b n ASP 75 Ca 0.20 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.69 7i1b n ASP 75 Cb 0.36 -0.42 -0.00 0.00 -0.02 0.00 0.00 41.12 41.04 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 -0.38 -4.94 -4.12 -2.24 8.00 -1.26 -4.96 116.55 106.65 7i1b n ASP 76 Ca 0.00 0.02 -0.33 0.00 0.71 0.00 0.00 54.79 55.18 7i1b n ASP 76 Cb 0.42 -2.49 -0.15 0.00 -0.02 0.00 0.00 41.12 38.88 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 -1.38 2.53 0.52 -1.24 2.47 -1.24 -5.08 119.74 116.32 7i1b s LYS 77 Ca 0.00 -1.17 -0.22 0.00 -1.56 0.00 0.00 55.97 53.03 7i1b s LYS 77 Cb 0.00 -2.90 -0.07 0.00 -1.46 0.00 0.00 37.83 33.40 7i1b s LYS 77 CO 0.00 -0.48 1.10 -2.30 0.16 0.00 0.00 175.35 173.83 7i1b n PRO 78 N 4.55 1.32 -3.91 4.03 -0.02 -1.26 -0.25 135.00 139.46 7i1b n PRO 78 Ca -0.16 0.49 -0.09 0.00 -2.02 0.00 0.00 63.50 61.73 7i1b n PRO 78 Cb 0.45 -2.26 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 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 -1.36 0.01 -0.11 3.45 2.01 -0.40 -4.71 115.64 114.53 7i1b s THR 79 Ca 0.70 -1.18 -0.04 0.00 0.31 0.00 0.00 61.69 61.49 7i1b s THR 79 Cb -0.46 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 7i1b s THR 79 CO 0.51 -0.03 0.04 -0.22 -0.69 0.00 0.00 174.62 174.23 7i1b s LEU 80 N -2.96 3.77 0.05 4.42 2.96 -1.26 -2.43 118.68 123.22 7i1b s LEU 80 Ca 0.17 0.20 -0.21 0.00 -0.22 0.00 0.00 54.13 54.06 7i1b s LEU 80 Cb -0.02 -1.89 0.05 0.00 0.50 0.00 0.00 46.19 44.83 7i1b s LEU 80 CO 0.06 0.36 0.49 -1.58 -1.32 0.00 0.00 176.35 174.36 7i1b s GLN 81 N -0.74 1.02 0.11 1.98 2.00 -0.45 -4.83 119.66 118.75 7i1b s GLN 81 Ca 0.12 -0.29 -0.12 0.00 -2.00 0.00 0.00 55.36 53.07 7i1b s GLN 81 Cb -0.12 0.46 -0.06 0.00 0.80 0.00 0.00 33.01 34.09 7i1b s GLN 81 CO 0.02 -0.37 0.47 -0.51 -0.50 0.00 0.00 175.29 174.41 7i1b s LEU 82 N -2.03 4.35 -0.03 3.68 1.43 -1.26 0.74 118.68 125.57 7i1b s LEU 82 Ca -0.05 0.94 0.00 0.00 -1.03 0.00 0.00 54.13 53.99 7i1b s LEU 82 Cb -0.01 -3.09 0.03 0.00 0.03 0.00 0.00 46.19 43.15 7i1b s LEU 82 CO -0.03 0.15 -0.00 -0.70 0.23 0.00 0.00 176.35 176.00 7i1b s GLU 83 N -1.88 0.33 -0.34 1.70 2.56 -0.80 -4.87 118.70 115.40 7i1b s GLU 83 Ca 0.35 0.06 -0.29 0.00 0.00 0.00 0.00 54.97 55.09 7i1b s GLU 83 Cb -0.15 -0.49 0.02 0.00 2.00 0.00 0.00 34.13 35.51 7i1b s GLU 83 CO 0.18 -0.12 1.06 -1.54 -0.56 0.00 0.00 175.26 174.28 7i1b s SER 84 N 0.97 6.87 0.00 -1.70 1.04 -1.26 -0.90 113.70 118.72 7i1b s SER 84 Ca -0.10 0.93 0.00 0.00 0.48 0.00 0.00 55.95 57.26 7i1b s SER 84 Cb -0.13 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.45 7i1b s SER 84 CO -0.02 -0.92 0.00 1.33 0.98 0.00 0.00 173.24 174.62 7i1b n VAL 85 N 5.99 0.00 -3.02 5.02 0.24 -1.07 -4.98 118.33 120.51 7i1b n VAL 85 Ca 0.11 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 62.01 7i1b n VAL 85 Cb 0.47 -0.99 -0.05 0.00 -1.47 0.00 0.00 33.84 31.81 7i1b n VAL 85 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 7i1b s ASP 86 N -1.00 6.80 0.05 -1.34 -1.08 -1.26 -4.92 116.67 113.92 7i1b s ASP 86 Ca 0.00 0.98 0.09 0.00 -0.52 0.00 0.00 52.55 53.10 7i1b s ASP 86 Cb 0.00 -2.39 0.42 0.00 -1.46 0.00 0.00 42.92 39.49 7i1b s ASP 86 CO 0.00 -0.33 1.30 -0.81 0.52 0.00 0.00 175.17 175.85 7i1b n PRO 87 N 5.13 0.03 -0.10 4.34 -0.04 -1.26 -2.52 135.00 140.58 7i1b n PRO 87 Ca 0.01 0.41 -0.13 0.00 -0.04 0.00 0.00 63.50 63.75 7i1b n PRO 87 Cb 0.49 -1.57 -0.10 0.00 -0.04 0.00 0.00 33.50 32.29 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 -1.63 0.63 -0.12 0.54 4.76 -1.26 -4.40 118.16 116.68 7i1b n LYS 88 Ca 0.01 0.10 0.02 0.00 -2.87 0.00 0.00 58.31 55.58 7i1b n LYS 88 Cb 0.09 -1.40 0.08 0.00 -1.84 0.00 0.00 35.03 31.96 7i1b n LYS 88 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 7i1b n ASN 89 N -3.02 1.20 -3.73 4.39 5.03 -1.12 -4.82 115.26 113.19 7i1b n ASN 89 Ca -0.34 -2.05 -0.14 0.00 0.87 0.00 0.00 54.58 52.92 7i1b n ASN 89 Cb 0.89 -0.22 -0.08 0.00 -1.02 0.00 0.00 39.78 39.35 7i1b n ASN 89 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 7i1b s TYR 90 N -1.68 -0.22 0.85 3.10 2.02 -1.05 -4.51 117.35 115.87 7i1b s TYR 90 Ca 0.11 0.32 -0.12 0.00 -0.37 0.00 0.00 57.07 57.01 7i1b s TYR 90 Cb 0.07 0.13 0.10 0.00 -0.40 0.00 0.00 41.96 41.86 7i1b s TYR 90 CO 0.07 -0.43 1.14 -1.25 -1.57 0.00 0.00 175.55 173.51 7i1b s PRO 91 N -1.46 1.61 0.17 -1.71 0.04 -1.26 -4.75 135.00 127.64 7i1b s PRO 91 Ca -0.12 0.32 -0.04 0.00 0.04 0.00 0.00 61.00 61.20 7i1b s PRO 91 Cb -0.04 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 7i1b s PRO 91 CO 0.04 -1.88 0.16 0.15 0.04 0.00 0.00 177.00 175.51 7i1b s LYS 92 N -5.33 1.12 0.43 4.56 1.02 -1.26 -4.70 119.74 115.57 7i1b s LYS 92 Ca 0.62 -1.44 0.12 0.00 0.02 0.00 0.00 55.97 55.29 7i1b s LYS 92 Cb -0.14 0.30 0.97 0.00 -0.52 0.00 0.00 37.83 38.45 7i1b s LYS 92 CO 0.52 -0.37 2.00 -0.22 -0.92 0.00 0.00 175.35 176.37 7i1b h LYS 93 N 2.67 0.45 -6.62 1.68 3.64 -1.92 -3.42 116.57 113.05 7i1b h LYS 93 Ca -0.34 -0.03 -0.67 0.00 -1.27 0.00 0.00 60.65 58.34 7i1b h LYS 93 Cb 1.23 -0.10 -0.18 0.00 -0.41 0.00 0.00 32.23 32.76 7i1b h LYS 93 CO 0.53 0.29 -0.78 0.21 -2.27 0.00 0.00 179.45 177.44 7i1b s LYS 94 N -5.43 1.98 -0.05 1.90 2.36 -1.26 -0.59 119.74 118.66 7i1b s LYS 94 Ca -0.08 -1.07 -0.09 0.00 -2.55 0.00 0.00 55.97 52.18 7i1b s LYS 94 Cb 0.19 -2.21 0.02 0.00 -1.05 0.00 0.00 37.83 34.78 7i1b s LYS 94 CO 0.74 0.51 0.21 -1.64 1.55 0.00 0.00 175.35 176.72 7i1b s MET 95 N -2.00 0.40 0.90 4.03 -1.94 -1.26 -4.98 119.30 114.44 7i1b s MET 95 Ca 0.18 0.01 -0.11 0.00 -1.71 0.00 0.00 55.69 54.07 7i1b s MET 95 Cb -0.11 0.18 0.13 0.00 2.01 0.00 0.00 34.83 37.04 7i1b s MET 95 CO 0.10 -0.08 1.13 -1.91 -0.01 0.00 0.00 175.02 174.25 7i1b n GLU 96 N 2.23 -0.34 -0.01 2.03 2.13 -1.26 -4.69 120.64 120.73 7i1b n GLU 96 Ca -0.17 -0.03 0.05 0.00 0.66 0.00 0.00 57.16 57.66 7i1b n GLU 96 Cb 0.57 -2.37 0.43 0.00 0.27 0.00 0.00 31.44 30.34 7i1b n GLU 96 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 7i1b h LYS 97 N -1.71 0.54 -0.59 5.31 1.79 -1.91 -1.36 116.57 118.64 7i1b h LYS 97 Ca -0.44 -0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.03 7i1b h LYS 97 Cb 1.28 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 31.77 7i1b h LYS 97 CO 0.42 0.35 0.39 0.07 -1.08 0.00 0.00 179.45 179.60 7i1b h ARG 98 N 0.55 0.69 0.00 3.15 0.11 -1.89 -1.55 114.38 115.44 7i1b h ARG 98 Ca 0.16 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.20 7i1b h ARG 98 Cb -0.01 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 30.91 7i1b h ARG 98 CO -0.04 0.46 -0.85 1.19 0.10 0.00 0.00 179.97 180.82 7i1b n PHE 99 N -4.46 0.50 -2.95 4.08 3.72 -0.66 -2.69 117.46 114.99 7i1b n PHE 99 Ca 0.07 0.14 -0.41 0.00 -0.05 0.00 0.00 57.45 57.20 7i1b n PHE 99 Cb 0.12 -0.61 -0.05 0.00 -0.94 0.00 0.00 39.48 38.00 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 -3.21 4.89 -0.17 -4.37 1.01 -0.59 -4.31 120.40 113.65 7i1b s VAL 100 Ca 0.04 1.47 0.01 0.00 0.00 0.00 0.00 61.98 63.49 7i1b s VAL 100 Cb 0.13 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.45 7i1b s VAL 100 CO 0.76 -0.01 -0.17 -0.36 0.00 0.00 0.00 175.10 175.32 7i1b s PHE 101 N 2.51 2.78 -0.62 5.22 0.40 -0.91 -2.02 117.98 125.34 7i1b s PHE 101 Ca 0.33 -1.36 -0.27 0.00 -0.60 0.00 0.00 56.93 55.03 7i1b s PHE 101 Cb -0.16 -1.91 0.01 0.00 0.51 0.00 0.00 43.02 41.47 7i1b s PHE 101 CO 0.09 -0.66 1.46 -0.80 0.70 0.00 0.00 175.22 176.01 7i1b s ASN 102 N 1.10 5.98 -0.55 1.36 0.02 -0.73 -2.24 114.94 119.89 7i1b s ASN 102 Ca 0.00 0.10 -0.28 0.00 -1.02 0.00 0.00 52.86 51.66 7i1b s ASN 102 Cb -0.14 -2.55 0.02 0.00 0.02 0.00 0.00 41.25 38.60 7i1b s ASN 102 CO -0.06 -1.86 1.36 -0.75 0.02 0.00 0.00 177.10 175.80 7i1b s LYS 103 N 5.84 3.39 0.16 -0.60 2.20 -0.97 -2.52 119.74 127.24 7i1b s LYS 103 Ca 0.50 0.47 0.05 0.00 -0.36 0.00 0.00 55.97 56.63 7i1b s LYS 103 Cb -0.10 -4.08 -0.04 0.00 -1.51 0.00 0.00 37.83 32.10 7i1b s LYS 103 CO 0.21 -1.82 0.16 0.42 -0.36 0.00 0.00 175.35 173.96 7i1b s ILE 104 N 5.71 4.61 -0.23 5.43 1.01 0.20 -2.53 121.20 135.41 7i1b s ILE 104 Ca 0.51 -1.02 -0.00 0.00 0.00 0.00 0.00 60.65 60.15 7i1b s ILE 104 Cb -0.10 -3.36 0.03 0.00 0.01 0.00 0.00 42.46 39.04 7i1b s ILE 104 CO 0.26 -0.10 -0.10 -1.61 0.00 0.00 0.00 174.94 173.39 7i1b s GLU 105 N -3.11 2.77 -0.04 2.79 2.02 -1.26 -0.96 118.70 120.91 7i1b s GLU 105 Ca 0.31 -1.00 0.00 0.00 0.02 0.00 0.00 54.97 54.31 7i1b s GLU 105 Cb -0.10 -2.86 0.02 0.00 0.10 0.00 0.00 34.13 31.29 7i1b s GLU 105 CO 0.24 -0.38 -0.02 0.42 0.02 0.00 0.00 175.26 175.55 7i1b s ILE 106 N 1.28 0.34 -1.44 -1.63 1.01 0.44 -4.82 121.20 116.38 7i1b s ILE 106 Ca -0.00 0.01 -0.08 0.00 0.00 0.00 0.00 60.65 60.58 7i1b s ILE 106 Cb -0.16 -0.42 0.05 0.00 0.01 0.00 0.00 42.46 41.94 7i1b s ILE 106 CO -0.07 0.19 0.87 -3.20 0.00 0.00 0.00 174.94 172.74 7i1b n ASN 107 N 4.24 -3.39 -1.79 3.58 5.15 -1.26 -0.03 115.26 121.75 7i1b n ASN 107 Ca -0.23 -0.79 -0.20 0.00 -0.60 0.00 0.00 54.58 52.76 7i1b n ASN 107 Cb 0.50 -3.98 -0.06 0.00 -0.53 0.00 0.00 39.78 35.71 7i1b n ASN 107 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 7i1b n ASN 108 N -2.93 -5.55 -4.40 1.20 2.85 -1.26 -4.97 115.26 100.20 7i1b n ASN 108 Ca -0.10 0.34 -0.21 0.00 -0.11 0.00 0.00 54.58 54.51 7i1b n ASN 108 Cb 0.59 -4.75 -0.10 0.00 1.24 0.00 0.00 39.78 36.75 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 -4.12 1.48 0.07 1.20 -0.14 0.95 -5.05 119.74 114.12 7i1b s LYS 109 Ca 0.00 -1.70 0.02 0.00 -1.36 0.00 0.00 55.97 52.93 7i1b s LYS 109 Cb 0.00 -1.26 -0.04 0.00 -1.68 0.00 0.00 37.83 34.85 7i1b s LYS 109 CO 0.00 0.16 0.10 -0.51 -0.76 0.00 0.00 175.35 174.34 7i1b s LEU 110 N -3.40 3.91 -0.06 3.17 1.43 -1.00 -0.42 118.68 122.32 7i1b s LEU 110 Ca 0.26 0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.40 7i1b s LEU 110 Cb 0.00 -2.54 0.04 0.00 0.03 0.00 0.00 46.19 43.71 7i1b s LEU 110 CO 0.10 0.18 0.10 -0.70 0.23 0.00 0.00 176.35 176.26 7i1b s GLU 111 N -2.34 -0.02 -0.37 1.70 2.12 -0.14 -1.26 118.70 118.40 7i1b s GLU 111 Ca 0.30 0.41 -0.12 0.00 0.36 0.00 0.00 54.97 55.92 7i1b s GLU 111 Cb -0.12 -0.35 0.02 0.00 0.26 0.00 0.00 34.13 33.93 7i1b s GLU 111 CO 0.22 -0.28 0.22 -0.06 -0.54 0.00 0.00 175.26 174.82 7i1b s PHE 112 N 1.94 3.23 -0.09 5.30 0.08 -1.26 -0.62 117.98 126.55 7i1b s PHE 112 Ca 0.01 -0.75 -0.12 0.00 0.12 0.00 0.00 56.93 56.19 7i1b s PHE 112 Cb -0.12 -2.45 -0.05 0.00 -0.57 0.00 0.00 43.02 39.83 7i1b s PHE 112 CO -0.04 -0.57 0.28 -2.00 -0.10 0.00 0.00 175.22 172.78 7i1b s GLU 113 N 1.60 3.86 -0.52 0.44 2.12 -1.05 -2.28 118.70 122.88 7i1b s GLU 113 Ca 0.03 0.12 -0.27 0.00 0.36 0.00 0.00 54.97 55.21 7i1b s GLU 113 Cb -0.19 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 30.92 7i1b s GLU 113 CO 0.07 0.58 1.72 0.45 -0.54 0.00 0.00 175.26 177.54 7i1b s SER 114 N -0.58 5.68 0.66 -1.70 0.15 -0.32 -1.77 113.70 115.81 7i1b s SER 114 Ca 0.18 0.58 0.15 0.00 0.70 0.00 0.00 55.95 57.56 7i1b s SER 114 Cb -0.14 -2.53 0.80 0.00 -1.71 0.00 0.00 66.02 62.44 7i1b s SER 114 CO 0.07 -2.01 1.45 0.00 1.20 0.00 0.00 173.24 173.95 7i1b h ALA 115 N 13.31 1.67 0.28 5.45 0.00 -1.52 0.20 119.26 138.66 7i1b h ALA 115 Ca -0.28 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 7i1b h ALA 115 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 7i1b h ALA 115 CO 1.16 -0.67 -0.14 0.37 0.00 0.00 0.00 179.25 179.97 7i1b h GLN 116 N 0.00 -0.37 -3.95 0.00 5.75 -1.80 -3.41 115.11 111.32 7i1b h GLN 116 Ca 0.00 0.03 -0.70 0.00 -0.15 0.00 0.00 58.65 57.83 7i1b h GLN 116 Cb 1.34 0.08 -0.35 0.00 1.07 0.00 0.00 27.48 29.62 7i1b h GLN 116 CO 0.00 -0.24 -0.43 -0.06 -2.65 0.00 0.00 178.83 175.45 7i1b s PHE 117 N -2.79 3.48 0.72 3.99 0.08 0.06 -5.07 117.98 118.45 7i1b s PHE 117 Ca -0.06 -2.55 -0.16 0.00 0.12 0.00 0.00 56.93 54.28 7i1b s PHE 117 Cb 0.01 -3.24 0.02 0.00 -0.57 0.00 0.00 43.02 39.24 7i1b s PHE 117 CO 0.17 -0.90 1.10 -2.30 -0.10 0.00 0.00 175.22 173.19 7i1b n PRO 118 N 3.97 0.59 0.00 0.24 -0.02 -1.21 -2.23 135.00 136.34 7i1b n PRO 118 Ca 0.03 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 7i1b n PRO 118 Cb 0.39 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 -2.09 0.00 -4.34 2.55 3.02 -1.26 -4.99 115.26 108.15 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 0.49 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 3.04 0.52 3.10 0.52 -0.95 -4.58 118.94 117.92 7i1b s TRP 120 Ca 0.00 -0.86 0.02 0.00 0.02 0.00 0.00 56.10 55.28 7i1b s TRP 120 Cb 0.00 -2.17 -0.00 0.00 -1.15 0.00 0.00 33.47 30.15 7i1b s TRP 120 CO 0.00 -0.52 0.08 0.71 0.02 0.00 0.00 176.95 177.24 7i1b s TYR 121 N 1.51 1.82 -0.21 -1.98 1.51 -0.29 -1.17 117.35 118.53 7i1b s TYR 121 Ca 0.05 -0.93 -0.27 0.00 -1.01 0.00 0.00 57.07 54.91 7i1b s TYR 121 Cb -0.15 -1.67 -0.00 0.00 -0.11 0.00 0.00 41.96 40.03 7i1b s TYR 121 CO -0.01 0.09 0.94 0.42 -1.11 0.00 0.00 175.55 175.88 7i1b s ILE 122 N -2.86 4.77 0.25 2.71 1.01 -0.97 -0.94 121.20 125.19 7i1b s ILE 122 Ca 0.11 1.82 0.07 0.00 0.00 0.00 0.00 60.65 62.66 7i1b s ILE 122 Cb 0.01 -4.22 -0.05 0.00 0.01 0.00 0.00 42.46 38.20 7i1b s ILE 122 CO 0.06 -0.10 -0.10 -0.44 0.00 0.00 0.00 174.94 174.37 7i1b s SER 123 N 1.23 2.74 0.15 3.58 0.01 -0.46 -4.46 113.70 116.49 7i1b s SER 123 Ca 0.41 -1.12 -0.00 0.00 1.31 0.00 0.00 55.95 56.55 7i1b s SER 123 Cb -0.16 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 7i1b s SER 123 CO 0.09 -0.25 0.05 0.42 0.41 0.00 0.00 173.24 173.95 7i1b s THR 124 N -2.97 0.26 -0.23 1.44 -4.23 -0.87 -2.66 115.64 106.38 7i1b s THR 124 Ca 0.27 -1.93 -0.09 0.00 -1.18 0.00 0.00 61.69 58.75 7i1b s THR 124 Cb 0.02 -2.09 -0.05 0.00 1.34 0.00 0.00 72.50 71.72 7i1b s THR 124 CO 0.10 -0.44 0.13 -0.55 -0.54 0.00 0.00 174.62 173.32 7i1b s SER 125 N -3.09 5.88 0.56 3.99 0.15 -1.26 -2.65 113.70 117.27 7i1b s SER 125 Ca 0.25 0.06 0.34 0.00 0.70 0.00 0.00 55.95 57.30 7i1b s SER 125 Cb 0.07 -2.05 1.48 0.00 -1.71 0.00 0.00 66.02 63.81 7i1b s SER 125 CO 0.03 0.08 1.78 -0.61 1.20 0.00 0.00 173.24 175.72 7i1b h GLN 126 N 7.44 0.00 -6.91 5.44 4.15 -1.95 -3.41 115.11 119.87 7i1b h GLN 126 Ca -0.38 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 58.52 7i1b h GLN 126 Cb 1.17 0.00 0.21 0.00 0.21 0.00 0.00 27.48 29.07 7i1b h GLN 126 CO 0.65 0.00 -0.40 0.00 -1.93 0.00 0.00 178.83 177.15 7i1b n ALA 127 N -2.63 -2.29 -2.41 3.38 0.00 -1.26 -4.97 120.51 110.33 7i1b n ALA 127 Ca 0.21 -0.66 -0.30 0.00 0.00 0.00 0.00 53.44 52.69 7i1b n ALA 127 Cb 1.14 -1.88 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 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 -3.89 3.73 -0.82 0.00 2.02 -1.26 -4.51 118.70 113.97 7i1b s GLU 128 Ca 0.59 0.21 -0.03 0.00 0.02 0.00 0.00 54.97 55.77 7i1b s GLU 128 Cb -0.21 -2.59 -0.01 0.00 0.10 0.00 0.00 34.13 31.42 7i1b s GLU 128 CO 0.65 0.21 0.70 0.09 0.02 0.00 0.00 175.26 176.93 7i1b n ASN 129 N -0.68 -6.79 -3.76 -0.19 3.02 -1.26 -5.02 115.26 100.57 7i1b n ASN 129 Ca 0.00 -0.42 -0.18 0.00 -0.03 0.00 0.00 54.58 53.95 7i1b n ASN 129 Cb 0.53 -4.28 -0.17 0.00 -0.61 0.00 0.00 39.78 35.25 7i1b n ASN 129 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 7i1b s MET 130 N -3.85 0.15 0.33 3.52 1.75 -1.26 -5.04 119.30 114.91 7i1b s MET 130 Ca 0.08 0.19 -0.29 0.00 -1.25 0.00 0.00 55.69 54.43 7i1b s MET 130 Cb -0.02 -0.50 -0.11 0.00 2.84 0.00 0.00 34.83 37.04 7i1b s MET 130 CO 0.79 -0.22 1.47 -1.25 -0.65 0.00 0.00 175.02 175.16 7i1b s PRO 131 N 1.48 4.18 0.70 4.11 0.04 -1.26 -2.70 135.00 141.55 7i1b s PRO 131 Ca -0.04 2.47 -0.15 0.00 0.04 0.00 0.00 61.00 63.33 7i1b s PRO 131 Cb -0.13 -3.02 0.02 0.00 0.04 0.00 0.00 34.50 31.42 7i1b s PRO 131 CO -0.03 -0.47 1.15 0.08 0.04 0.00 0.00 177.00 177.77 7i1b s VAL 132 N -0.76 2.82 0.38 -0.36 1.01 0.83 -4.84 120.40 119.48 7i1b s VAL 132 Ca 0.55 0.39 -0.14 0.00 0.00 0.00 0.00 61.98 62.78 7i1b s VAL 132 Cb -0.45 -2.91 0.05 0.00 0.00 0.00 0.00 36.38 33.07 7i1b s VAL 132 CO 0.56 -0.23 0.75 0.72 0.00 0.00 0.00 175.10 176.89 7i1b s PHE 133 N -2.21 0.24 -0.22 5.22 -0.71 -1.09 -4.83 117.98 114.39 7i1b s PHE 133 Ca 0.70 -0.86 -0.11 0.00 -1.04 0.00 0.00 56.93 55.63 7i1b s PHE 133 Cb -0.24 0.72 -0.05 0.00 -1.21 0.00 0.00 43.02 42.24 7i1b s PHE 133 CO 0.44 -1.51 0.16 -1.17 -1.34 0.00 0.00 175.22 171.79 7i1b s LEU 134 N -3.09 4.17 0.40 -1.99 2.96 -1.26 -1.35 118.68 118.52 7i1b s LEU 134 Ca 0.17 0.20 0.03 0.00 -0.22 0.00 0.00 54.13 54.32 7i1b s LEU 134 Cb -0.05 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 7i1b s LEU 134 CO 0.13 0.12 0.09 -0.83 -1.32 0.00 0.00 176.35 174.53 7i1b s GLY 135 N 0.69 2.54 -0.31 7.98 0.00 -0.11 -4.63 107.32 113.47 7i1b s GLY 135 Ca 0.09 -1.34 0.16 0.00 0.00 0.00 0.00 44.72 43.63 7i1b s GLY 135 CO 0.01 -1.88 1.06 0.61 0.00 0.00 0.00 173.10 172.90 7i1b n GLY 136 N -0.91 2.90 2.53 0.20 0.00 -1.26 -1.14 105.19 107.51 7i1b n GLY 136 Ca -0.07 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 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 -3.90 -0.04 0.04 2.61 2.01 -1.26 -4.99 115.64 110.10 7i1b s THR 137 Ca 0.33 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 61.16 7i1b s THR 137 Cb 0.40 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.86 7i1b s THR 137 CO -0.02 -0.76 1.17 -0.75 -0.69 0.00 0.00 174.62 173.57 7i1b s LYS 138 N 1.99 4.44 7.82 4.92 2.20 -1.26 -4.46 119.74 135.38 7i1b s LYS 138 Ca 0.10 1.71 0.00 0.00 -0.36 0.00 0.00 55.97 57.42 7i1b s LYS 138 Cb -0.17 -3.39 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 7i1b s LYS 138 CO -0.33 -0.25 0.00 0.41 -0.36 0.00 0.00 175.35 174.82 7i1b n GLY 139 N 3.20 3.26 7.00 5.54 0.00 -1.21 -4.86 105.19 118.11 7i1b n GLY 139 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 2.56 0.04 -0.02 0.00 -1.26 -1.68 105.19 104.83 7i1b n GLY 140 Ca 0.00 0.31 0.02 0.00 0.00 0.00 0.00 46.02 46.36 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 12.72 0.86 -3.25 1.61 0.00 -1.26 -4.94 117.38 123.11 7i1b n GLN 141 Ca 0.00 -0.10 -0.39 0.00 -0.00 0.00 0.00 57.00 56.51 7i1b n GLN 141 Cb 0.00 -1.41 -0.06 0.00 0.00 0.00 0.00 30.24 28.77 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 -4.38 6.91 -0.53 1.69 1.11 -0.67 -4.73 116.67 116.07 7i1b s ASP 142 Ca -0.07 1.08 -0.20 0.00 0.18 0.00 0.00 52.55 53.54 7i1b s ASP 142 Cb 0.09 -2.34 0.06 0.00 1.07 0.00 0.00 42.92 41.79 7i1b s ASP 142 CO 0.70 0.11 0.72 -0.63 1.18 0.00 0.00 175.17 177.25 7i1b s ILE 143 N -0.15 4.73 -0.13 0.77 1.01 -1.09 -3.32 121.20 123.03 7i1b s ILE 143 Ca 0.29 -0.35 0.18 0.00 0.00 0.00 0.00 60.65 60.78 7i1b s ILE 143 Cb -0.18 -4.39 -0.19 0.00 0.01 0.00 0.00 42.46 37.71 7i1b s ILE 143 CO 0.16 -0.93 0.60 0.35 0.00 0.00 0.00 174.94 175.11 7i1b n THR 144 N 5.76 0.95 -0.96 2.92 -2.24 -1.26 -2.05 114.28 117.41 7i1b n THR 144 Ca -0.05 -0.68 -0.30 0.00 -2.27 0.00 0.00 64.05 60.75 7i1b n THR 144 Cb 0.46 -0.50 0.16 0.00 -2.10 0.00 0.00 70.33 68.35 7i1b n THR 144 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 7i1b s ASP 145 N -5.43 2.96 0.25 3.42 1.47 -1.26 -4.61 116.67 113.47 7i1b s ASP 145 Ca -0.05 1.71 -0.06 0.00 1.18 0.00 0.00 52.55 55.32 7i1b s ASP 145 Cb 0.09 -2.34 0.03 0.00 -0.34 0.00 0.00 42.92 40.36 7i1b s ASP 145 CO 0.83 -2.99 0.45 0.49 0.68 0.00 0.00 175.17 174.63 7i1b n PHE 146 N -4.13 -1.60 -3.58 2.11 3.72 -0.39 -4.53 117.46 109.05 7i1b n PHE 146 Ca 0.08 -1.38 -0.12 0.00 -0.05 0.00 0.00 57.45 55.98 7i1b n PHE 146 Cb 0.54 0.52 -0.11 0.00 -0.94 0.00 0.00 39.48 39.49 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 -0.51 0.09 4.37 -4.23 0.24 -2.38 115.64 110.70 7i1b s THR 147 Ca 0.14 0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 7i1b s THR 147 Cb -0.02 -0.60 -0.04 0.00 1.34 0.00 0.00 72.50 73.17 7i1b s THR 147 CO 0.10 0.02 0.24 -0.32 -0.54 0.00 0.00 174.62 174.13 7i1b s MET 148 N 2.49 3.45 -0.08 3.99 1.75 -1.26 -1.00 119.30 128.64 7i1b s MET 148 Ca 0.03 -0.45 -0.02 0.00 -1.25 0.00 0.00 55.69 54.01 7i1b s MET 148 Cb -0.13 -3.00 0.03 0.00 2.84 0.00 0.00 34.83 34.56 7i1b s MET 148 CO -0.12 0.57 0.01 -0.65 -0.65 0.00 0.00 175.02 174.19 7i1b s GLN 149 N -2.70 0.54 0.34 4.11 -0.21 -1.02 -5.00 119.66 115.73 7i1b s GLN 149 Ca 0.35 0.11 -0.26 0.00 0.02 0.00 0.00 55.36 55.58 7i1b s GLN 149 Cb -0.12 -0.99 -0.09 0.00 1.00 0.00 0.00 33.01 32.80 7i1b s GLN 149 CO 0.28 -0.32 1.06 -0.06 -2.12 0.00 0.00 175.29 174.13 7i1b s PHE 150 N 1.99 3.43 0.00 0.91 0.08 -1.26 -2.07 117.98 121.06 7i1b s PHE 150 Ca 0.05 1.68 0.00 0.00 0.12 0.00 0.00 56.93 58.78 7i1b s PHE 150 Cb -0.12 -3.18 0.00 0.00 -0.57 0.00 0.00 43.02 39.15 7i1b s PHE 150 CO -0.05 -0.53 0.00 1.33 -0.10 0.00 0.00 175.22 175.87 7i1b n VAL 151 N 0.49 0.00 -0.95 -0.44 0.24 -1.18 -4.95 118.33 111.54 7i1b n VAL 151 Ca 0.02 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 62.02 7i1b n VAL 151 Cb 0.48 0.00 0.14 0.00 -1.47 0.00 0.00 33.84 32.99 7i1b n VAL 151 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 7i1b s SER 152 N -0.07 3.42 0.00 -1.34 0.15 -1.26 -4.85 113.70 109.74 7i1b s SER 152 Ca 0.00 1.93 0.25 0.00 0.70 0.00 0.00 55.95 58.83 7i1b s SER 152 Cb 0.00 -2.49 0.40 0.00 -1.71 0.00 0.00 66.02 62.23 7i1b s SER 152 CO 0.00 -2.74 1.38 -1.54 1.20 0.00 0.00 173.24 171.54