#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 0.75 -2.85 0.00 -0.04 -1.26 -4.82 135.00 126.79 7i1b n PRO 2 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 7i1b n PRO 2 Cb 0.00 -1.13 0.02 0.00 -0.04 0.00 0.00 33.50 32.36 7i1b n PRO 2 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 7i1b s VAL 3 N 0.34 3.22 -0.11 0.52 -7.23 -1.26 -5.07 120.40 110.81 7i1b s VAL 3 Ca 0.00 -0.67 0.00 0.00 -1.81 0.00 0.00 61.98 59.50 7i1b s VAL 3 Cb 0.00 -3.18 0.02 0.00 0.56 0.00 0.00 36.38 33.78 7i1b s VAL 3 CO 0.00 -0.11 -0.09 -0.13 -0.31 0.00 0.00 175.10 174.45 7i1b s ARG 4 N -4.61 1.64 0.88 4.82 1.81 -1.26 -5.07 118.95 117.16 7i1b s ARG 4 Ca 0.53 -0.31 -0.10 0.00 -1.72 0.00 0.00 55.73 54.13 7i1b s ARG 4 Cb -0.10 -1.62 0.18 0.00 -0.45 0.00 0.00 34.95 32.96 7i1b s ARG 4 CO 0.37 -0.22 1.20 -1.12 -0.68 0.00 0.00 175.30 174.85 7i1b s SER 5 N 1.53 3.52 -0.30 0.23 0.01 -1.26 -2.97 113.70 114.47 7i1b s SER 5 Ca 0.02 -0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.25 7i1b s SER 5 Cb -0.13 -0.09 0.19 0.00 0.21 0.00 0.00 66.02 66.20 7i1b s SER 5 CO -0.07 -2.44 0.60 -0.22 0.41 0.00 0.00 173.24 171.52 7i1b s LEU 6 N -5.61 -1.46 0.14 2.44 2.96 0.57 -4.88 118.68 112.85 7i1b s LEU 6 Ca 0.72 0.66 -0.30 0.00 -0.22 0.00 0.00 54.13 54.99 7i1b s LEU 6 Cb -0.04 2.13 -0.07 0.00 0.50 0.00 0.00 46.19 48.71 7i1b s LEU 6 CO 0.50 -0.27 1.07 0.20 -1.32 0.00 0.00 176.35 176.52 7i1b s ASN 7 N 2.85 7.32 -0.21 3.68 0.01 -1.26 0.30 114.94 127.62 7i1b s ASN 7 Ca 0.18 1.98 -0.29 0.00 -0.71 0.00 0.00 52.86 54.02 7i1b s ASN 7 Cb -0.13 -2.60 0.14 0.00 0.41 0.00 0.00 41.25 39.07 7i1b s ASN 7 CO -0.23 -0.20 1.10 0.00 -1.51 0.00 0.00 177.10 176.26 7i1b s THR 9 N -0.78 2.89 -0.04 0.00 -4.23 -0.92 -2.34 115.64 110.22 7i1b s THR 9 Ca 0.02 -0.38 0.01 0.00 -1.18 0.00 0.00 61.69 60.15 7i1b s THR 9 Cb -0.02 -3.15 0.02 0.00 1.34 0.00 0.00 72.50 70.70 7i1b s THR 9 CO -0.03 -0.13 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.13 7i1b s LEU 10 N -4.95 1.27 0.13 4.79 1.43 -1.26 -2.33 118.68 117.77 7i1b s LEU 10 Ca 0.56 -0.10 0.08 0.00 -1.03 0.00 0.00 54.13 53.64 7i1b s LEU 10 Cb -0.10 -0.40 -0.04 0.00 0.03 0.00 0.00 46.19 45.68 7i1b s LEU 10 CO 0.42 -0.07 -0.18 -0.13 0.23 0.00 0.00 176.35 176.62 7i1b s ARG 11 N 0.97 1.16 0.90 1.70 0.52 -0.10 -3.61 118.95 120.49 7i1b s ARG 11 Ca -0.10 -1.28 -0.11 0.00 -0.52 0.00 0.00 55.73 53.71 7i1b s ARG 11 Cb -0.14 -1.25 0.20 0.00 0.52 0.00 0.00 34.95 34.28 7i1b s ARG 11 CO -0.00 0.26 1.22 -0.40 0.02 0.00 0.00 175.30 176.40 7i1b n ASP 12 N 0.63 0.51 0.33 0.23 5.75 -0.89 -0.95 116.55 122.16 7i1b n ASP 12 Ca -0.16 -1.70 0.21 0.00 -0.01 0.00 0.00 54.79 53.13 7i1b n ASP 12 Cb 0.56 -0.90 1.15 0.00 -1.03 0.00 0.00 41.12 40.90 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 -1.37 0.00 -0.11 -1.12 4.64 -1.89 0.16 113.55 113.86 7i1b h SER 13 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 7i1b h SER 13 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 7i1b h SER 13 CO 0.32 0.00 0.00 1.67 -0.87 0.00 0.00 176.83 177.95 7i1b n GLN 14 N -3.27 1.69 -0.99 4.77 7.27 -1.26 -4.89 117.38 120.70 7i1b n GLN 14 Ca -0.03 -1.03 0.00 0.00 0.07 0.00 0.00 57.00 56.01 7i1b n GLN 14 Cb 0.07 -1.42 0.00 0.00 2.41 0.00 0.00 30.24 31.30 7i1b n GLN 14 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 7i1b n GLN 15 N 0.25 -0.03 -1.00 3.69 7.27 0.57 -5.01 117.38 123.12 7i1b n GLN 15 Ca 0.17 0.01 -0.29 0.00 0.07 0.00 0.00 57.00 56.96 7i1b n GLN 15 Cb 0.33 -2.78 0.17 0.00 2.41 0.00 0.00 30.24 30.38 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 -0.04 0.55 0.34 3.69 1.02 -1.26 -4.70 119.74 119.35 7i1b s LYS 16 Ca 0.00 0.82 0.09 0.00 0.02 0.00 0.00 55.97 56.91 7i1b s LYS 16 Cb 0.00 -1.73 -0.06 0.00 -0.52 0.00 0.00 37.83 35.52 7i1b s LYS 16 CO 0.00 -2.72 -0.09 -1.12 -0.92 0.00 0.00 175.35 170.49 7i1b s SER 17 N -3.16 3.72 -0.14 2.83 0.01 -1.05 -2.10 113.70 113.82 7i1b s SER 17 Ca 0.65 -1.20 -0.10 0.00 1.31 0.00 0.00 55.95 56.61 7i1b s SER 17 Cb -0.20 -0.35 -0.05 0.00 0.21 0.00 0.00 66.02 65.64 7i1b s SER 17 CO 0.59 -0.21 0.20 -0.76 0.41 0.00 0.00 173.24 173.47 7i1b s LEU 18 N -3.61 4.32 0.02 2.44 1.43 -1.24 -2.41 118.68 119.64 7i1b s LEU 18 Ca 0.32 0.46 0.05 0.00 -1.03 0.00 0.00 54.13 53.94 7i1b s LEU 18 Cb 0.03 -2.19 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 7i1b s LEU 18 CO 0.16 0.28 -0.15 0.68 0.23 0.00 0.00 176.35 177.55 7i1b s VAL 19 N -0.37 1.22 -0.62 -1.59 -7.23 0.11 -2.62 120.40 109.29 7i1b s VAL 19 Ca 0.14 -0.87 -0.25 0.00 -1.81 0.00 0.00 61.98 59.20 7i1b s VAL 19 Cb -0.12 -1.06 0.05 0.00 0.56 0.00 0.00 36.38 35.80 7i1b s VAL 19 CO 0.03 0.18 1.05 0.00 -0.31 0.00 0.00 175.10 176.05 7i1b s MET 20 N -0.80 3.26 0.00 4.82 0.23 -1.26 -0.42 119.30 125.13 7i1b s MET 20 Ca 0.04 -0.36 0.24 0.00 -1.03 0.00 0.00 55.69 54.59 7i1b s MET 20 Cb -0.07 -4.12 0.26 0.00 -1.53 0.00 0.00 34.83 29.36 7i1b s MET 20 CO 0.01 -1.74 1.26 0.45 -2.03 0.00 0.00 175.02 172.96 7i1b n SER 21 N 8.06 1.81 -2.81 -1.18 2.88 -1.05 -4.98 113.62 116.34 7i1b n SER 21 Ca 0.01 -1.38 -0.10 0.00 -1.33 0.00 0.00 58.87 56.07 7i1b n SER 21 Cb 0.47 0.33 0.01 0.00 -0.75 0.00 0.00 64.21 64.28 7i1b n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 7i1b n GLY 22 N 1.38 1.33 0.38 0.46 0.00 -1.08 -4.99 105.19 102.67 7i1b n GLY 22 Ca 0.11 -1.36 -0.15 0.00 0.00 0.00 0.00 46.02 44.62 7i1b n GLY 22 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 7i1b h PRO 23 N 0.00 -0.93 -0.63 1.61 0.11 -2.03 -3.27 132.00 126.85 7i1b h PRO 23 Ca -0.31 0.06 -0.40 0.00 0.11 0.00 0.00 66.00 65.46 7i1b h PRO 23 Cb 1.20 0.21 -0.24 0.00 0.11 0.00 0.00 31.00 32.28 7i1b h PRO 23 CO 0.40 -0.62 -0.02 0.66 -0.21 0.00 0.00 178.00 178.21 7i1b n TYR 24 N -4.60 2.09 -3.97 0.65 4.01 -1.26 -4.96 117.16 109.13 7i1b n TYR 24 Ca -0.12 -2.07 -0.22 0.00 -0.16 0.00 0.00 57.90 55.33 7i1b n TYR 24 Cb 0.38 -0.69 -0.17 0.00 -0.31 0.00 0.00 39.34 38.55 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 -3.46 0.84 0.17 -0.72 8.01 -1.24 -4.45 118.70 117.85 7i1b s GLU 25 Ca 0.51 -0.04 0.09 0.00 0.01 0.00 0.00 54.97 55.54 7i1b s GLU 25 Cb 0.44 -1.00 -0.04 0.00 -4.31 0.00 0.00 34.13 29.21 7i1b s GLU 25 CO 0.01 -0.20 -0.12 -0.51 0.01 0.00 0.00 175.26 174.46 7i1b s LEU 26 N 1.47 2.90 0.03 1.80 2.01 -1.26 -2.52 118.68 123.11 7i1b s LEU 26 Ca -0.02 -0.58 0.01 0.00 0.01 0.00 0.00 54.13 53.54 7i1b s LEU 26 Cb -0.13 -1.62 -0.02 0.00 0.01 0.00 0.00 46.19 44.43 7i1b s LEU 26 CO -0.03 0.12 -0.04 -0.54 1.01 0.00 0.00 176.35 176.86 7i1b s LYS 27 N -2.68 0.38 -0.21 1.70 1.02 0.44 -2.05 119.74 118.34 7i1b s LYS 27 Ca 0.23 -0.67 -0.05 0.00 0.02 0.00 0.00 55.97 55.50 7i1b s LYS 27 Cb -0.09 -0.00 -0.02 0.00 -0.52 0.00 0.00 37.83 37.19 7i1b s LYS 27 CO 0.14 -0.02 0.01 0.00 -0.92 0.00 0.00 175.35 174.55 7i1b s ALA 28 N -1.50 3.02 0.36 5.17 0.00 -1.14 0.09 121.76 127.76 7i1b s ALA 28 Ca -0.14 -1.04 -0.09 0.00 0.00 0.00 0.00 51.96 50.69 7i1b s ALA 28 Cb -0.10 -1.82 0.04 0.00 0.00 0.00 0.00 23.12 21.24 7i1b s ALA 28 CO -0.01 -0.26 0.64 1.47 0.00 0.00 0.00 175.76 177.60 7i1b n LEU 29 N 4.46 0.00 -4.70 0.00 -0.00 -1.01 -3.90 117.00 111.85 7i1b n LEU 29 Ca -0.17 -2.60 -0.42 0.00 -0.00 0.00 0.00 56.01 52.81 7i1b n LEU 29 Cb 0.52 3.16 -0.03 0.00 -0.00 0.00 0.00 43.42 47.07 7i1b n LEU 29 CO 0.31 -0.74 0.72 -1.00 -0.00 0.00 0.00 177.39 176.68 7i1b s HIS 30 N -2.69 3.60 -0.07 1.47 3.76 -1.26 -2.52 115.29 117.58 7i1b s HIS 30 Ca 0.21 1.65 0.01 0.00 -0.15 0.00 0.00 55.06 56.78 7i1b s HIS 30 Cb -0.03 -3.15 0.02 0.00 1.11 0.00 0.00 32.58 30.53 7i1b s HIS 30 CO 0.15 -0.12 -0.08 -1.17 -0.85 0.00 0.00 174.74 172.67 7i1b s LEU 31 N 1.34 1.39 0.10 0.89 2.96 -1.26 -4.99 118.68 119.11 7i1b s LEU 31 Ca 0.51 -0.23 -0.25 0.00 -0.22 0.00 0.00 54.13 53.94 7i1b s LEU 31 Cb -0.20 -0.68 0.07 0.00 0.50 0.00 0.00 46.19 45.88 7i1b s LEU 31 CO 0.25 -0.04 0.63 -1.58 -1.32 0.00 0.00 176.35 174.29 7i1b s GLN 32 N 1.02 1.21 1.34 1.98 0.74 -1.26 -4.89 119.66 119.80 7i1b s GLN 32 Ca -0.09 -0.27 0.00 0.00 0.05 0.00 0.00 55.36 55.05 7i1b s GLN 32 Cb -0.14 0.56 0.00 0.00 1.10 0.00 0.00 33.01 34.53 7i1b s GLN 32 CO -0.00 -0.50 0.00 0.41 -0.55 0.00 0.00 175.29 174.65 7i1b n GLY 33 N -0.03 -1.69 0.38 2.59 0.00 -1.26 -3.95 105.19 101.23 7i1b n GLY 33 Ca -0.17 -1.51 0.16 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.06 0.32 115.11 118.39 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 0.00 0.06 2.03 -1.25 -2.20 116.55 110.73 7i1b n ASP 35 Ca 0.14 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.80 7i1b n ASP 35 Cb 0.55 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 7i1b n ASP 35 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 7i1b n MET 36 N -1.36 0.00 0.14 -0.67 0.00 0.11 -0.42 117.12 114.92 7i1b n MET 36 Ca 0.00 0.26 0.12 0.00 0.00 0.00 0.00 57.70 58.09 7i1b n MET 36 Cb 0.01 -1.52 0.22 0.00 0.00 0.00 0.00 33.22 31.93 7i1b n MET 36 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 175.97 177.02 7i1b h GLU 37 N 0.00 0.00 -1.00 3.17 4.11 -1.68 -3.23 114.58 115.95 7i1b h GLU 37 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 7i1b h GLU 37 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 7i1b h GLU 37 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 179.01 180.12 7i1b n GLN 38 N -2.61 0.99 -3.00 1.06 6.02 0.44 -4.79 117.38 115.49 7i1b n GLN 38 Ca 0.04 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.62 7i1b n GLN 38 Cb 0.49 -1.31 -0.05 0.00 1.02 0.00 0.00 30.24 30.38 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 -0.63 4.30 0.72 -1.09 -2.07 -1.22 -4.52 119.66 115.14 7i1b s GLN 39 Ca 0.00 0.84 -0.11 0.00 -1.82 0.00 0.00 55.36 54.28 7i1b s GLN 39 Cb 0.00 -3.55 0.03 0.00 -1.09 0.00 0.00 33.01 28.40 7i1b s GLN 39 CO 0.00 -0.21 1.09 0.08 -1.32 0.00 0.00 175.29 174.92 7i1b s VAL 40 N 1.78 3.05 0.02 3.63 1.01 -1.08 -5.03 120.40 123.80 7i1b s VAL 40 Ca 0.35 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.59 7i1b s VAL 40 Cb -0.16 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 7i1b s VAL 40 CO 0.13 -0.41 -0.07 -0.69 0.00 0.00 0.00 175.10 174.06 7i1b s VAL 41 N -3.36 0.53 0.17 2.92 1.01 -1.26 -4.74 120.40 115.68 7i1b s VAL 41 Ca 0.59 -0.74 0.10 0.00 0.00 0.00 0.00 61.98 61.93 7i1b s VAL 41 Cb -0.11 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 7i1b s VAL 41 CO 0.50 -0.16 -0.22 -0.36 0.00 0.00 0.00 175.10 174.86 7i1b s PHE 42 N -0.85 2.07 -0.63 5.22 0.40 -0.99 -3.44 117.98 119.76 7i1b s PHE 42 Ca -0.04 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.88 7i1b s PHE 42 Cb -0.07 -1.04 0.16 0.00 0.51 0.00 0.00 43.02 42.58 7i1b s PHE 42 CO 0.00 0.40 0.42 0.45 0.70 0.00 0.00 175.22 177.19 7i1b s SER 43 N -2.58 4.96 0.51 1.36 0.15 0.24 -1.04 113.70 117.30 7i1b s SER 43 Ca 0.17 -3.10 -0.21 0.00 0.70 0.00 0.00 55.95 53.51 7i1b s SER 43 Cb -0.07 -1.77 -0.06 0.00 -1.71 0.00 0.00 66.02 62.40 7i1b s SER 43 CO 0.08 -0.27 1.15 -0.32 1.20 0.00 0.00 173.24 175.08 7i1b s MET 44 N -0.42 3.51 -0.05 5.44 1.75 0.15 -2.52 119.30 127.16 7i1b s MET 44 Ca 0.19 1.70 -0.02 0.00 -1.25 0.00 0.00 55.69 56.31 7i1b s MET 44 Cb -0.19 -2.18 0.03 0.00 2.84 0.00 0.00 34.83 35.33 7i1b s MET 44 CO -0.04 -0.74 0.09 -1.12 -0.65 0.00 0.00 175.02 172.55 7i1b s SER 45 N -1.57 0.59 -0.43 1.11 0.01 -0.53 0.21 113.70 113.10 7i1b s SER 45 Ca 0.69 0.16 -0.28 0.00 1.31 0.00 0.00 55.95 57.82 7i1b s SER 45 Cb -0.27 0.02 -0.00 0.00 0.21 0.00 0.00 66.02 65.98 7i1b s SER 45 CO 0.31 -0.20 1.59 -0.36 0.41 0.00 0.00 173.24 174.99 7i1b s PHE 46 N 1.76 2.10 0.00 2.43 0.08 -1.16 -1.17 117.98 122.03 7i1b s PHE 46 Ca -0.01 0.64 0.00 0.00 0.12 0.00 0.00 56.93 57.67 7i1b s PHE 46 Cb -0.12 -4.24 0.00 0.00 -0.57 0.00 0.00 43.02 38.09 7i1b s PHE 46 CO -0.04 -2.34 0.00 1.33 -0.10 0.00 0.00 175.22 174.07 7i1b n VAL 47 N 7.18 0.00 -3.43 -0.44 0.24 -1.01 -4.50 118.33 116.36 7i1b n VAL 47 Ca 0.18 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 62.17 7i1b n VAL 47 Cb 0.48 -0.99 -0.05 0.00 -1.47 0.00 0.00 33.84 31.81 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 -0.76 3.76 0.00 7.34 0.74 0.11 -4.83 119.66 126.02 7i1b s GLN 48 Ca 0.00 0.21 0.00 0.00 0.05 0.00 0.00 55.36 55.62 7i1b s GLN 48 Cb 0.00 -2.67 0.00 0.00 1.10 0.00 0.00 33.01 31.44 7i1b s GLN 48 CO 0.00 0.32 0.00 0.41 -0.55 0.00 0.00 175.29 175.47 7i1b n GLY 49 N -0.19 -0.88 3.57 2.59 0.00 -1.26 -4.71 105.19 104.30 7i1b n GLY 49 Ca -0.00 -1.25 -0.19 0.00 0.00 0.00 0.00 46.02 44.58 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 0.18 -2.07 1.61 -0.58 -1.26 -4.86 120.64 113.65 7i1b n GLU 50 Ca 0.00 -1.66 -0.42 0.00 -0.42 0.00 0.00 57.16 54.66 7i1b n GLU 50 Cb 0.00 -3.74 -0.03 0.00 -0.57 0.00 0.00 31.44 27.10 7i1b n GLU 50 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 7i1b s GLU 51 N 8.21 4.24 0.00 3.49 0.41 -1.26 -4.63 118.70 129.16 7i1b s GLU 51 Ca 0.79 2.15 0.00 0.00 -0.41 0.00 0.00 54.97 57.50 7i1b s GLU 51 Cb -0.02 -3.58 0.00 0.00 -1.78 0.00 0.00 34.13 28.75 7i1b s GLU 51 CO 0.21 -0.65 0.00 0.45 -0.49 0.00 0.00 175.26 174.77 7i1b n SER 52 N 5.46 0.00 -0.01 -0.19 2.88 -1.00 -5.05 113.62 115.71 7i1b n SER 52 Ca 0.14 -0.69 -0.12 0.00 -1.33 0.00 0.00 58.87 56.88 7i1b n SER 52 Cb 0.42 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.74 7i1b n SER 52 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 7i1b h ASN 53 N 0.00 0.12 0.00 -3.46 -0.26 -2.01 -3.41 115.58 106.56 7i1b h ASN 53 Ca 0.00 -0.26 -0.45 0.00 -0.56 0.00 0.00 56.30 55.03 7i1b h ASN 53 Cb 0.00 -0.04 -0.07 0.00 -1.06 0.00 0.00 38.32 37.15 7i1b h ASN 53 CO 0.00 1.23 -2.52 0.47 -1.06 0.00 0.00 177.43 175.55 7i1b n ASP 54 N -3.17 1.94 -4.56 5.81 8.00 -1.26 -4.87 116.55 118.43 7i1b n ASP 54 Ca -0.20 0.28 -0.43 0.00 0.71 0.00 0.00 54.79 55.15 7i1b n ASP 54 Cb 1.05 -0.76 -0.05 0.00 -0.02 0.00 0.00 41.12 41.34 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 -2.50 3.58 -0.39 -1.24 1.02 -1.26 -4.05 119.74 114.90 7i1b s LYS 55 Ca -0.38 0.11 0.04 0.00 0.02 0.00 0.00 55.97 55.75 7i1b s LYS 55 Cb 0.14 -3.88 0.11 0.00 -0.52 0.00 0.00 37.83 33.68 7i1b s LYS 55 CO 0.49 -0.99 0.11 0.42 -0.92 0.00 0.00 175.35 174.46 7i1b s ILE 56 N 3.23 2.42 0.06 2.17 1.01 -1.04 -2.39 121.20 126.66 7i1b s ILE 56 Ca 0.31 -2.56 -0.31 0.00 0.00 0.00 0.00 60.65 58.10 7i1b s ILE 56 Cb -0.12 -2.76 -0.08 0.00 0.01 0.00 0.00 42.46 39.51 7i1b s ILE 56 CO 0.20 -0.65 1.65 -2.16 0.00 0.00 0.00 174.94 173.98 7i1b s PRO 57 N 0.64 4.20 0.00 2.79 0.05 -1.26 -1.81 135.00 139.60 7i1b s PRO 57 Ca 0.12 2.31 0.00 0.00 0.05 0.00 0.00 61.00 63.48 7i1b s PRO 57 Cb -0.21 -3.64 0.00 0.00 0.05 0.00 0.00 34.50 30.70 7i1b s PRO 57 CO -0.06 -0.74 0.00 1.33 0.05 0.00 0.00 177.00 177.58 7i1b n VAL 58 N 4.80 0.00 -3.68 -0.36 0.24 -0.97 -2.42 118.33 115.94 7i1b n VAL 58 Ca 0.16 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.32 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 -0.41 -0.38 2.33 0.00 -0.32 -2.28 121.76 118.70 7i1b s ALA 59 Ca 0.00 0.80 -0.19 0.00 0.00 0.00 0.00 51.96 52.58 7i1b s ALA 59 Cb 0.00 -0.87 0.01 0.00 0.00 0.00 0.00 23.12 22.26 7i1b s ALA 59 CO 0.00 -0.53 0.54 -0.51 0.00 0.00 0.00 175.76 175.26 7i1b s LEU 60 N 2.14 4.45 -0.10 0.00 1.43 -1.26 -1.45 118.68 123.90 7i1b s LEU 60 Ca -0.00 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 7i1b s LEU 60 Cb -0.12 -2.60 0.01 0.00 0.03 0.00 0.00 46.19 43.51 7i1b s LEU 60 CO -0.07 -0.57 -0.16 -0.83 0.23 0.00 0.00 176.35 174.95 7i1b s GLY 61 N 1.83 1.02 -0.06 -3.19 0.00 -1.05 -2.42 107.32 103.44 7i1b s GLY 61 Ca 0.19 -0.68 -0.34 0.00 0.00 0.00 0.00 44.72 43.89 7i1b s GLY 61 CO 0.15 0.12 1.88 1.04 0.00 0.00 0.00 173.10 176.29 7i1b n LEU 62 N 4.00 3.53 -0.05 0.66 4.77 -1.02 0.83 117.00 129.72 7i1b n LEU 62 Ca -0.20 0.97 -0.09 0.00 -0.03 0.00 0.00 56.01 56.66 7i1b n LEU 62 Cb 0.52 -1.39 -0.02 0.00 -2.33 0.00 0.00 43.42 40.19 7i1b n LEU 62 CO 0.25 -0.03 0.93 0.50 -1.33 0.00 0.00 177.39 177.71 7i1b h LYS 63 N 9.26 0.22 0.12 3.23 3.64 -1.84 -3.02 116.57 128.18 7i1b h LYS 63 Ca -0.49 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 58.90 7i1b h LYS 63 Cb 1.27 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.00 7i1b h LYS 63 CO 0.95 0.14 -0.31 0.93 -2.27 0.00 0.00 179.45 178.89 7i1b h GLU 64 N 0.22 -0.52 0.00 1.90 4.39 -1.89 -3.44 114.58 115.24 7i1b h GLU 64 Ca 0.09 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.83 7i1b h GLU 64 Cb 0.04 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 7i1b h GLU 64 CO -0.08 -0.34 0.00 1.63 -1.16 0.00 0.00 179.01 179.06 7i1b n LYS 65 N -5.41 3.43 -1.85 2.33 5.02 -1.14 -5.05 118.16 115.48 7i1b n LYS 65 Ca -0.07 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.14 7i1b n LYS 65 Cb 0.32 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.40 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 0.00 3.00 -4.57 4.39 6.94 -1.26 -4.54 115.26 119.22 7i1b n ASN 66 Ca 0.00 -3.18 -0.41 0.00 -0.02 0.00 0.00 54.58 50.98 7i1b n ASN 66 Cb 0.00 -0.41 -0.08 0.00 -2.36 0.00 0.00 39.78 36.93 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 -3.16 4.25 -0.22 -4.53 1.43 -1.26 -2.64 118.68 112.55 7i1b s LEU 67 Ca 0.41 0.12 -0.10 0.00 -1.03 0.00 0.00 54.13 53.53 7i1b s LEU 67 Cb 0.38 -2.59 -0.05 0.00 0.03 0.00 0.00 46.19 43.96 7i1b s LEU 67 CO -0.03 -0.41 0.14 -0.31 0.23 0.00 0.00 176.35 175.97 7i1b s TYR 68 N 2.35 3.36 0.47 0.29 1.51 -0.86 -2.44 117.35 122.03 7i1b s TYR 68 Ca 0.19 0.26 -0.23 0.00 -1.01 0.00 0.00 57.07 56.28 7i1b s TYR 68 Cb -0.15 -2.21 -0.09 0.00 -0.11 0.00 0.00 41.96 39.40 7i1b s TYR 68 CO 0.12 0.17 1.08 1.28 -1.11 0.00 0.00 175.55 177.10 7i1b n LEU 69 N 3.91 3.40 -3.72 -1.29 4.32 -1.02 -2.51 117.00 120.09 7i1b n LEU 69 Ca -0.16 0.99 -0.14 0.00 -0.02 0.00 0.00 56.01 56.69 7i1b n LEU 69 Cb 0.52 -1.41 -0.09 0.00 -1.62 0.00 0.00 43.42 40.82 7i1b n LEU 69 CO 0.36 -1.31 0.10 -0.94 -1.22 0.00 0.00 177.39 174.38 7i1b s SER 70 N -0.82 -0.35 -0.35 -1.43 1.04 0.75 -4.57 113.70 107.97 7i1b s SER 70 Ca 0.66 0.50 -0.12 0.00 0.48 0.00 0.00 55.95 57.46 7i1b s SER 70 Cb -0.50 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.19 7i1b s SER 70 CO 0.54 -0.33 0.23 0.00 0.98 0.00 0.00 173.24 174.66 7i1b s VAL 72 N 1.68 1.62 0.07 0.00 -7.23 -0.89 -4.78 120.40 110.88 7i1b s VAL 72 Ca 0.05 -1.68 -0.27 0.00 -1.81 0.00 0.00 61.98 58.28 7i1b s VAL 72 Cb -0.18 -1.60 -0.06 0.00 0.56 0.00 0.00 36.38 35.11 7i1b s VAL 72 CO 0.09 -0.23 0.84 -0.76 -0.31 0.00 0.00 175.10 174.73 7i1b s LEU 73 N -2.24 4.47 -0.63 1.32 1.43 -1.26 -1.75 118.68 120.03 7i1b s LEU 73 Ca 0.09 1.58 0.05 0.00 -1.03 0.00 0.00 54.13 54.82 7i1b s LEU 73 Cb -0.08 -3.36 0.17 0.00 0.03 0.00 0.00 46.19 42.95 7i1b s LEU 73 CO 0.05 -0.01 0.44 -0.54 0.23 0.00 0.00 176.35 176.52 7i1b s LYS 74 N -0.08 2.08 0.00 1.70 1.02 -0.40 -4.71 119.74 119.35 7i1b s LYS 74 Ca 0.41 -3.01 0.00 0.00 0.02 0.00 0.00 55.97 53.39 7i1b s LYS 74 Cb -0.22 -2.97 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 7i1b s LYS 74 CO 0.26 -1.29 0.00 -0.25 -0.92 0.00 0.00 175.35 173.14 7i1b n ASP 75 N 2.26 -1.48 -0.33 2.83 8.00 -1.26 -3.69 116.55 122.88 7i1b n ASP 75 Ca 0.21 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.66 7i1b n ASP 75 Cb 0.37 -0.37 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 7i1b n ASP 75 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 7i1b n ASP 76 N 0.00 -5.02 -4.11 -2.24 8.00 -1.26 -4.96 116.55 106.96 7i1b n ASP 76 Ca 0.00 0.11 -0.33 0.00 0.71 0.00 0.00 54.79 55.27 7i1b n ASP 76 Cb 0.37 -2.90 -0.14 0.00 -0.02 0.00 0.00 41.12 38.43 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 -1.95 2.24 0.43 -1.24 2.20 -1.24 -5.08 119.74 115.09 7i1b s LYS 77 Ca 0.00 -1.38 -0.25 0.00 -0.36 0.00 0.00 55.97 53.98 7i1b s LYS 77 Cb 0.00 -3.06 -0.10 0.00 -1.51 0.00 0.00 37.83 33.16 7i1b s LYS 77 CO 0.00 -0.64 1.15 -2.30 -0.36 0.00 0.00 175.35 173.20 7i1b n PRO 78 N 4.50 1.64 -3.86 4.03 -0.02 -1.26 -1.28 135.00 138.75 7i1b n PRO 78 Ca -0.12 0.59 -0.09 0.00 -2.02 0.00 0.00 63.50 61.86 7i1b n PRO 78 Cb 0.42 -2.23 -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 -1.24 0.02 -0.14 3.45 2.01 -0.71 -4.78 115.64 114.25 7i1b s THR 79 Ca 0.63 -1.06 -0.07 0.00 0.31 0.00 0.00 61.69 61.50 7i1b s THR 79 Cb -0.53 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 7i1b s THR 79 CO 0.57 -0.07 0.10 -0.22 -0.69 0.00 0.00 174.62 174.30 7i1b s LEU 80 N -2.93 4.10 -0.00 4.42 2.96 -1.26 -2.09 118.68 123.87 7i1b s LEU 80 Ca 0.14 0.30 -0.23 0.00 -0.22 0.00 0.00 54.13 54.12 7i1b s LEU 80 Cb -0.01 -2.00 0.05 0.00 0.50 0.00 0.00 46.19 44.72 7i1b s LEU 80 CO 0.03 0.33 0.52 -1.58 -1.32 0.00 0.00 176.35 174.33 7i1b s GLN 81 N -0.55 0.95 -0.03 1.98 0.74 -0.10 -4.81 119.66 117.84 7i1b s GLN 81 Ca 0.11 -0.05 -0.15 0.00 0.05 0.00 0.00 55.36 55.33 7i1b s GLN 81 Cb -0.12 0.44 -0.05 0.00 1.10 0.00 0.00 33.01 34.37 7i1b s GLN 81 CO 0.02 -0.31 0.40 -0.51 -0.55 0.00 0.00 175.29 174.34 7i1b s LEU 82 N -1.52 4.43 -0.07 3.68 1.43 -1.26 -0.18 118.68 125.18 7i1b s LEU 82 Ca -0.09 0.89 0.01 0.00 -1.03 0.00 0.00 54.13 53.90 7i1b s LEU 82 Cb -0.02 -2.56 0.02 0.00 0.03 0.00 0.00 46.19 43.66 7i1b s LEU 82 CO 0.04 0.27 -0.08 -0.70 0.23 0.00 0.00 176.35 176.11 7i1b s GLU 83 N -0.73 1.31 -0.25 1.70 2.12 -1.04 -4.95 118.70 116.86 7i1b s GLU 83 Ca 0.23 -0.25 -0.29 0.00 0.36 0.00 0.00 54.97 55.02 7i1b s GLU 83 Cb -0.16 -1.22 -0.01 0.00 0.26 0.00 0.00 34.13 33.00 7i1b s GLU 83 CO 0.12 -0.09 1.42 0.45 -0.54 0.00 0.00 175.26 176.62 7i1b s SER 84 N 1.03 6.59 0.01 -1.70 0.15 -1.26 -2.04 113.70 116.49 7i1b s SER 84 Ca -0.08 1.44 0.00 0.00 0.70 0.00 0.00 55.95 58.01 7i1b s SER 84 Cb -0.14 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 7i1b s SER 84 CO -0.00 -1.11 0.00 1.33 1.20 0.00 0.00 173.24 174.66 7i1b n VAL 85 N 6.17 0.00 -2.92 4.45 0.24 -1.08 -4.99 118.33 120.19 7i1b n VAL 85 Ca 0.16 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.04 7i1b n VAL 85 Cb 0.46 -1.10 -0.05 0.00 -1.47 0.00 0.00 33.84 31.68 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 6.62 0.00 -1.34 2.15 -1.26 -4.90 116.67 116.94 7i1b s ASP 86 Ca 0.00 0.53 0.10 0.00 0.43 0.00 0.00 52.55 53.61 7i1b s ASP 86 Cb 0.00 -2.41 0.45 0.00 -0.30 0.00 0.00 42.92 40.66 7i1b s ASP 86 CO 0.00 -0.70 1.25 -0.81 -0.17 0.00 0.00 175.17 174.74 7i1b n PRO 87 N 6.38 0.07 -0.13 4.34 -0.04 -1.26 -1.57 135.00 142.80 7i1b n PRO 87 Ca 0.04 0.26 -0.19 0.00 -0.04 0.00 0.00 63.50 63.57 7i1b n PRO 87 Cb 0.48 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.39 0.62 0.05 0.54 4.01 -1.26 -4.64 118.16 116.09 7i1b n LYS 88 Ca 0.04 0.16 -0.22 0.00 -0.51 0.00 0.00 58.31 57.78 7i1b n LYS 88 Cb 0.09 -1.49 -0.15 0.00 -0.51 0.00 0.00 35.03 32.97 7i1b n LYS 88 CO 0.00 0.00 0.00 -0.91 -1.11 0.00 0.00 177.40 175.38 7i1b h ASN 89 N -0.17 0.53 -3.69 4.39 2.35 -1.95 -3.46 115.58 113.59 7i1b h ASN 89 Ca -0.58 -0.91 -0.50 0.00 -0.55 0.00 0.00 56.30 53.76 7i1b h ASN 89 Cb 1.82 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.99 7i1b h ASN 89 CO -0.14 1.62 0.09 -0.31 -1.65 0.00 0.00 177.43 177.04 7i1b s TYR 90 N -2.51 3.42 0.75 1.19 2.02 -0.61 -4.07 117.35 117.55 7i1b s TYR 90 Ca -0.16 1.23 -0.11 0.00 -0.37 0.00 0.00 57.07 57.66 7i1b s TYR 90 Cb 0.04 -2.54 0.04 0.00 -0.40 0.00 0.00 41.96 39.10 7i1b s TYR 90 CO 0.83 0.14 1.08 -1.25 -1.57 0.00 0.00 175.55 174.78 7i1b s PRO 91 N -2.81 2.44 0.06 -1.71 0.04 -1.26 -4.70 135.00 127.05 7i1b s PRO 91 Ca 0.52 0.76 -0.00 0.00 0.04 0.00 0.00 61.00 62.31 7i1b s PRO 91 Cb -0.11 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 7i1b s PRO 91 CO 0.18 -1.40 -0.04 0.21 0.04 0.00 0.00 177.00 176.00 7i1b s LYS 92 N -5.12 0.65 0.25 4.56 2.47 -1.26 -5.03 119.74 116.26 7i1b s LYS 92 Ca 0.60 -1.24 -0.04 0.00 -1.56 0.00 0.00 55.97 53.73 7i1b s LYS 92 Cb -0.14 0.13 0.41 0.00 -1.46 0.00 0.00 37.83 36.77 7i1b s LYS 92 CO 0.54 -0.09 1.83 -0.22 0.16 0.00 0.00 175.35 177.57 7i1b h LYS 93 N 3.13 0.85 -6.29 4.03 3.64 -1.93 -3.41 116.57 116.59 7i1b h LYS 93 Ca -0.34 -0.05 -0.66 0.00 -1.27 0.00 0.00 60.65 58.32 7i1b h LYS 93 Cb 1.15 -0.19 -0.14 0.00 -0.41 0.00 0.00 32.23 32.63 7i1b h LYS 93 CO 0.66 0.56 -0.68 0.21 -2.27 0.00 0.00 179.45 177.93 7i1b s LYS 94 N -6.03 2.58 -0.01 1.90 2.20 -1.26 0.05 119.74 119.17 7i1b s LYS 94 Ca -0.12 -0.75 -0.09 0.00 -0.36 0.00 0.00 55.97 54.64 7i1b s LYS 94 Cb 0.20 -2.54 0.01 0.00 -1.51 0.00 0.00 37.83 33.98 7i1b s LYS 94 CO 0.79 0.58 0.20 -1.64 -0.36 0.00 0.00 175.35 174.92 7i1b s MET 95 N -1.79 0.50 0.93 4.03 -1.94 -1.26 -4.96 119.30 114.81 7i1b s MET 95 Ca 0.21 -0.24 -0.11 0.00 -1.71 0.00 0.00 55.69 53.84 7i1b s MET 95 Cb -0.11 0.22 0.15 0.00 2.01 0.00 0.00 34.83 37.10 7i1b s MET 95 CO 0.12 -0.12 1.11 -1.21 -0.01 0.00 0.00 175.02 174.91 7i1b s GLU 96 N -1.16 0.89 0.37 2.03 2.02 -1.26 -4.75 118.70 116.85 7i1b s GLU 96 Ca -0.12 1.29 0.04 0.00 0.02 0.00 0.00 54.97 56.20 7i1b s GLU 96 Cb -0.06 -1.73 0.72 0.00 0.10 0.00 0.00 34.13 33.16 7i1b s GLU 96 CO 0.02 -2.63 2.02 0.87 0.02 0.00 0.00 175.26 175.56 7i1b h LYS 97 N -1.86 0.73 -0.91 1.61 1.79 -1.93 -1.73 116.57 114.26 7i1b h LYS 97 Ca -0.47 -0.04 0.20 0.00 -2.18 0.00 0.00 60.65 58.15 7i1b h LYS 97 Cb 1.28 -0.16 -0.07 0.00 -1.58 0.00 0.00 32.23 31.69 7i1b h LYS 97 CO 0.46 0.48 0.60 0.00 -1.08 0.00 0.00 179.45 179.91 7i1b h ARG 98 N 0.75 0.46 -0.00 3.15 3.08 -1.90 -0.02 114.38 119.90 7i1b h ARG 98 Ca 0.21 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.23 7i1b h ARG 98 Cb -0.06 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.88 7i1b h ARG 98 CO -0.05 0.31 -0.82 1.19 -1.07 0.00 0.00 179.97 179.53 7i1b n PHE 99 N -4.54 0.00 -2.99 3.04 3.72 -0.71 -2.54 117.46 113.44 7i1b n PHE 99 Ca 0.20 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.19 7i1b n PHE 99 Cb 0.66 -0.05 -0.05 0.00 -0.94 0.00 0.00 39.48 39.10 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 -2.93 4.93 -0.18 -4.37 1.01 -0.02 -4.42 120.40 114.42 7i1b s VAL 100 Ca 0.10 1.42 0.01 0.00 0.00 0.00 0.00 61.98 63.52 7i1b s VAL 100 Cb 0.17 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 32.52 7i1b s VAL 100 CO 0.79 0.05 -0.19 -0.36 0.00 0.00 0.00 175.10 175.39 7i1b s PHE 101 N 2.17 2.76 -0.53 5.22 0.40 -0.97 -2.23 117.98 124.81 7i1b s PHE 101 Ca 0.33 -1.65 -0.28 0.00 -0.60 0.00 0.00 56.93 54.74 7i1b s PHE 101 Cb -0.16 -1.90 0.01 0.00 0.51 0.00 0.00 43.02 41.48 7i1b s PHE 101 CO 0.11 -0.80 1.45 -0.80 0.70 0.00 0.00 175.22 175.87 7i1b s ASN 102 N 1.30 6.11 -0.42 1.36 0.02 -0.85 -2.29 114.94 120.16 7i1b s ASN 102 Ca 0.05 0.43 -0.29 0.00 -1.02 0.00 0.00 52.86 52.03 7i1b s ASN 102 Cb -0.13 -2.54 0.01 0.00 0.02 0.00 0.00 41.25 38.61 7i1b s ASN 102 CO -0.13 -1.69 1.34 -0.75 0.02 0.00 0.00 177.10 175.90 7i1b s LYS 103 N 5.48 3.62 0.18 -0.60 2.20 -0.75 -2.48 119.74 127.39 7i1b s LYS 103 Ca 0.56 0.86 0.06 0.00 -0.36 0.00 0.00 55.97 57.08 7i1b s LYS 103 Cb -0.12 -3.99 -0.04 0.00 -1.51 0.00 0.00 37.83 32.17 7i1b s LYS 103 CO 0.27 -1.51 0.10 0.42 -0.36 0.00 0.00 175.35 174.26 7i1b s ILE 104 N 5.16 4.23 -0.14 5.43 1.01 0.32 -2.50 121.20 134.72 7i1b s ILE 104 Ca 0.58 -1.23 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 7i1b s ILE 104 Cb -0.12 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 7i1b s ILE 104 CO 0.32 -0.13 -0.05 -1.61 0.00 0.00 0.00 174.94 173.47 7i1b s GLU 105 N -3.12 3.53 -0.28 2.79 2.02 -1.26 -0.47 118.70 121.91 7i1b s GLU 105 Ca 0.30 -0.53 -0.03 0.00 0.02 0.00 0.00 54.97 54.72 7i1b s GLU 105 Cb -0.10 -2.85 0.11 0.00 0.10 0.00 0.00 34.13 31.39 7i1b s GLU 105 CO 0.22 0.30 0.16 0.42 0.02 0.00 0.00 175.26 176.38 7i1b s ILE 106 N 0.19 -0.15 -0.87 -1.63 -1.09 0.61 -4.88 121.20 113.38 7i1b s ILE 106 Ca -0.03 -0.66 -0.00 0.00 -2.23 0.00 0.00 60.65 57.73 7i1b s ILE 106 Cb -0.14 -0.96 0.00 0.00 -1.58 0.00 0.00 42.46 39.78 7i1b s ILE 106 CO 0.03 -0.64 0.73 -3.20 -1.23 0.00 0.00 174.94 170.63 7i1b n ASN 107 N 5.27 -2.25 0.00 3.58 2.85 -1.26 -2.15 115.26 121.29 7i1b n ASN 107 Ca -0.05 -0.44 0.00 0.00 -0.11 0.00 0.00 54.58 53.98 7i1b n ASN 107 Cb 0.43 -3.83 0.00 0.00 1.24 0.00 0.00 39.78 37.62 7i1b n ASN 107 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 7i1b n ASN 108 N -2.48 -1.82 -4.81 1.20 6.94 -1.26 -4.96 115.26 108.06 7i1b n ASN 108 Ca -0.19 0.00 -0.22 0.00 -0.02 0.00 0.00 54.58 54.15 7i1b n ASN 108 Cb 0.62 -1.82 -0.05 0.00 -2.36 0.00 0.00 39.78 36.17 7i1b n ASN 108 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 7i1b s LYS 109 N -0.84 2.54 0.18 -3.83 1.02 -0.91 -5.04 119.74 112.86 7i1b s LYS 109 Ca 0.00 -1.46 0.06 0.00 0.02 0.00 0.00 55.97 54.59 7i1b s LYS 109 Cb 0.00 -2.33 -0.04 0.00 -0.52 0.00 0.00 37.83 34.94 7i1b s LYS 109 CO 0.00 0.02 0.07 -0.51 -0.92 0.00 0.00 175.35 174.01 7i1b s LEU 110 N -3.97 3.55 -0.14 3.17 1.43 -0.41 -0.28 118.68 122.03 7i1b s LEU 110 Ca 0.41 -0.28 -0.05 0.00 -1.03 0.00 0.00 54.13 53.19 7i1b s LEU 110 Cb -0.04 -2.18 0.07 0.00 0.03 0.00 0.00 46.19 44.08 7i1b s LEU 110 CO 0.25 0.07 0.26 -0.70 0.23 0.00 0.00 176.35 176.46 7i1b s GLU 111 N -3.08 0.15 -0.24 1.70 2.12 0.38 -0.60 118.70 119.13 7i1b s GLU 111 Ca 0.29 0.68 -0.14 0.00 0.36 0.00 0.00 54.97 56.17 7i1b s GLU 111 Cb -0.09 -0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.09 7i1b s GLU 111 CO 0.21 -0.33 0.31 -0.06 -0.54 0.00 0.00 175.26 174.85 7i1b s PHE 112 N 2.41 3.30 -0.01 5.30 0.08 -1.26 -0.52 117.98 127.28 7i1b s PHE 112 Ca 0.02 0.41 0.01 0.00 0.12 0.00 0.00 56.93 57.49 7i1b s PHE 112 Cb -0.12 -2.46 -0.04 0.00 -0.57 0.00 0.00 43.02 39.83 7i1b s PHE 112 CO -0.09 -0.07 0.01 -1.83 -0.10 0.00 0.00 175.22 173.14 7i1b s GLU 113 N 1.52 2.84 -0.52 0.44 4.04 -1.03 -2.29 118.70 123.70 7i1b s GLU 113 Ca 0.14 -0.57 -0.28 0.00 0.04 0.00 0.00 54.97 54.30 7i1b s GLU 113 Cb -0.15 -2.70 0.01 0.00 0.02 0.00 0.00 34.13 31.31 7i1b s GLU 113 CO 0.08 0.64 1.44 0.45 -1.84 0.00 0.00 175.26 176.03 7i1b s SER 114 N -1.48 6.14 0.61 0.83 0.15 -0.64 -2.01 113.70 117.30 7i1b s SER 114 Ca 0.19 0.46 0.21 0.00 0.70 0.00 0.00 55.95 57.50 7i1b s SER 114 Cb -0.12 -2.54 1.12 0.00 -1.71 0.00 0.00 66.02 62.78 7i1b s SER 114 CO 0.09 -1.66 1.61 0.00 1.20 0.00 0.00 173.24 174.48 7i1b h ALA 115 N 11.17 1.45 0.00 5.45 0.00 -1.64 -1.14 119.26 134.56 7i1b h ALA 115 Ca -0.27 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 7i1b h ALA 115 Cb 1.10 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 7i1b h ALA 115 CO 1.15 -0.45 -0.10 0.37 0.00 0.00 0.00 179.25 180.22 7i1b h GLN 116 N 0.00 0.00 -4.01 0.00 5.75 -1.81 -3.43 115.11 111.61 7i1b h GLN 116 Ca 0.00 0.00 -0.70 0.00 -0.15 0.00 0.00 58.65 57.80 7i1b h GLN 116 Cb 0.95 0.00 -0.34 0.00 1.07 0.00 0.00 27.48 29.16 7i1b h GLN 116 CO 0.00 0.18 -0.42 -0.06 -2.65 0.00 0.00 178.83 175.87 7i1b s PHE 117 N -1.76 3.49 0.87 3.99 0.08 -0.43 -5.09 117.98 119.13 7i1b s PHE 117 Ca -0.06 -2.49 -0.12 0.00 0.12 0.00 0.00 56.93 54.38 7i1b s PHE 117 Cb -0.00 -3.26 0.12 0.00 -0.57 0.00 0.00 43.02 39.31 7i1b s PHE 117 CO 0.15 -0.91 1.16 -2.30 -0.10 0.00 0.00 175.22 173.21 7i1b n PRO 118 N 4.07 -0.17 0.00 0.24 -0.02 -1.21 -2.42 135.00 135.50 7i1b n PRO 118 Ca 0.03 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 7i1b n PRO 118 Cb 0.40 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 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 -3.75 0.00 -4.46 2.55 5.03 -1.26 -4.97 115.26 108.40 7i1b n ASN 119 Ca 0.13 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.20 7i1b n ASN 119 Cb 0.51 0.00 -0.12 0.00 -1.02 0.00 0.00 39.78 39.15 7i1b n ASN 119 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 7i1b s TRP 120 N -1.78 3.13 0.27 3.10 0.52 -1.01 -4.61 118.94 118.56 7i1b s TRP 120 Ca 0.00 -0.40 0.01 0.00 0.02 0.00 0.00 56.10 55.72 7i1b s TRP 120 Cb 0.00 -2.29 0.01 0.00 -1.15 0.00 0.00 33.47 30.04 7i1b s TRP 120 CO 0.00 -0.36 0.06 0.66 0.02 0.00 0.00 176.95 177.32 7i1b n TYR 121 N 4.96 0.16 -3.53 -1.98 4.02 -0.57 -1.61 117.16 118.60 7i1b n TYR 121 Ca -0.15 -1.26 -0.37 0.00 -0.01 0.00 0.00 57.90 56.11 7i1b n TYR 121 Cb 0.51 -0.19 -0.07 0.00 -0.02 0.00 0.00 39.34 39.57 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 -1.79 5.29 0.18 -0.72 1.01 -0.97 -1.43 121.20 122.78 7i1b s ILE 122 Ca 0.04 0.58 -0.04 0.00 0.00 0.00 0.00 60.65 61.24 7i1b s ILE 122 Cb -0.00 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 7i1b s ILE 122 CO 0.03 0.40 0.19 -0.44 0.00 0.00 0.00 174.94 175.11 7i1b s SER 123 N 0.39 0.14 0.19 3.58 0.01 -0.77 -4.48 113.70 112.76 7i1b s SER 123 Ca 0.17 -1.20 0.05 0.00 1.31 0.00 0.00 55.95 56.29 7i1b s SER 123 Cb -0.13 0.40 -0.05 0.00 0.21 0.00 0.00 66.02 66.45 7i1b s SER 123 CO 0.05 -0.87 -0.08 0.42 0.41 0.00 0.00 173.24 173.17 7i1b s THR 124 N -4.08 1.30 -0.21 1.44 -4.23 -0.50 -2.68 115.64 106.69 7i1b s THR 124 Ca 0.30 -2.09 -0.14 0.00 -1.18 0.00 0.00 61.69 58.57 7i1b s THR 124 Cb 0.05 -2.06 -0.04 0.00 1.34 0.00 0.00 72.50 71.79 7i1b s THR 124 CO 0.07 -0.57 0.31 -0.55 -0.54 0.00 0.00 174.62 173.34 7i1b s SER 125 N -3.26 6.33 0.56 3.99 0.15 -1.26 -2.72 113.70 117.50 7i1b s SER 125 Ca 0.22 0.38 0.37 0.00 0.70 0.00 0.00 55.95 57.61 7i1b s SER 125 Cb 0.03 -2.18 1.48 0.00 -1.71 0.00 0.00 66.02 63.64 7i1b s SER 125 CO 0.05 -0.01 1.70 -0.61 1.20 0.00 0.00 173.24 175.57 7i1b h GLN 126 N 7.34 0.00 -6.86 5.44 4.15 -1.98 -3.41 115.11 119.79 7i1b h GLN 126 Ca -0.37 0.00 -0.54 0.00 0.77 0.00 0.00 58.65 58.51 7i1b h GLN 126 Cb 1.16 0.00 0.20 0.00 0.21 0.00 0.00 27.48 29.05 7i1b h GLN 126 CO 0.70 0.00 -0.30 0.00 -1.93 0.00 0.00 178.83 177.30 7i1b n ALA 127 N -2.65 -1.70 -2.39 3.38 0.00 -1.26 -4.97 120.51 110.91 7i1b n ALA 127 Ca 0.26 -0.45 -0.31 0.00 0.00 0.00 0.00 53.44 52.94 7i1b n ALA 127 Cb 1.35 -1.93 -0.04 0.00 0.00 0.00 0.00 19.45 18.83 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 -3.55 3.76 -1.14 0.00 2.02 -1.26 -4.36 118.70 114.16 7i1b s GLU 128 Ca 0.63 0.25 -0.14 0.00 0.02 0.00 0.00 54.97 55.73 7i1b s GLU 128 Cb -0.27 -2.59 -0.02 0.00 0.10 0.00 0.00 34.13 31.35 7i1b s GLU 128 CO 0.61 0.22 0.81 0.09 0.02 0.00 0.00 175.26 177.01 7i1b n ASN 129 N -0.57 -5.04 -4.00 -0.19 4.13 -1.25 -5.00 115.26 103.34 7i1b n ASN 129 Ca 0.00 -0.92 -0.24 0.00 1.68 0.00 0.00 54.58 55.10 7i1b n ASN 129 Cb 0.53 -3.92 -0.17 0.00 -1.54 0.00 0.00 39.78 34.69 7i1b n ASN 129 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 7i1b s MET 130 N -5.59 1.60 0.60 3.52 1.75 -1.26 -5.02 119.30 114.91 7i1b s MET 130 Ca 0.40 -0.37 -0.19 0.00 -1.25 0.00 0.00 55.69 54.28 7i1b s MET 130 Cb -0.12 -1.36 -0.03 0.00 2.84 0.00 0.00 34.83 36.16 7i1b s MET 130 CO 0.83 -0.00 1.25 -1.25 -0.65 0.00 0.00 175.02 175.19 7i1b s PRO 131 N 0.75 2.86 0.69 4.11 0.04 -1.26 -2.87 135.00 139.32 7i1b s PRO 131 Ca -0.13 1.93 -0.11 0.00 0.04 0.00 0.00 61.00 62.73 7i1b s PRO 131 Cb -0.15 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.45 7i1b s PRO 131 CO 0.03 -1.32 1.06 0.08 0.04 0.00 0.00 177.00 176.89 7i1b s VAL 132 N -1.50 4.08 0.35 -0.36 1.01 -0.87 -4.71 120.40 118.39 7i1b s VAL 132 Ca 0.79 0.67 -0.17 0.00 0.00 0.00 0.00 61.98 63.27 7i1b s VAL 132 Cb -0.33 -3.51 0.06 0.00 0.00 0.00 0.00 36.38 32.60 7i1b s VAL 132 CO 0.36 -0.88 0.85 0.72 0.00 0.00 0.00 175.10 176.15 7i1b s PHE 133 N -3.12 0.12 -0.23 5.22 -0.71 -1.09 -4.89 117.98 113.28 7i1b s PHE 133 Ca 0.57 -0.75 -0.10 0.00 -1.04 0.00 0.00 56.93 55.61 7i1b s PHE 133 Cb -0.13 0.82 -0.05 0.00 -1.21 0.00 0.00 43.02 42.45 7i1b s PHE 133 CO 0.54 -1.45 0.15 -1.17 -1.34 0.00 0.00 175.22 171.96 7i1b s LEU 134 N -3.15 4.14 0.19 -1.99 2.96 -1.26 -1.84 118.68 117.73 7i1b s LEU 134 Ca 0.17 0.15 0.04 0.00 -0.22 0.00 0.00 54.13 54.26 7i1b s LEU 134 Cb -0.05 -2.10 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 7i1b s LEU 134 CO 0.10 0.10 -0.04 -0.83 -1.32 0.00 0.00 176.35 174.37 7i1b s GLY 135 N 0.84 1.33 -0.51 7.98 0.00 -0.51 -4.73 107.32 111.71 7i1b s GLY 135 Ca 0.08 -1.64 0.04 0.00 0.00 0.00 0.00 44.72 43.19 7i1b s GLY 135 CO 0.02 -1.62 1.24 0.61 0.00 0.00 0.00 173.10 173.35 7i1b n GLY 136 N -0.31 5.92 2.61 0.20 0.00 -1.26 -1.51 105.19 110.83 7i1b n GLY 136 Ca -0.07 -2.73 -0.27 0.00 0.00 0.00 0.00 46.02 42.95 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 -5.39 1.44 -0.11 2.61 2.01 -1.26 -5.03 115.64 109.91 7i1b s THR 137 Ca 0.49 -3.34 -0.29 0.00 0.31 0.00 0.00 61.69 58.86 7i1b s THR 137 Cb 0.39 -1.96 -0.05 0.00 0.01 0.00 0.00 72.50 70.89 7i1b s THR 137 CO -0.22 -1.13 1.77 -1.59 -0.69 0.00 0.00 174.62 172.76 7i1b s LYS 138 N -0.58 3.92 7.95 4.92 -2.85 -1.26 -4.57 119.74 127.27 7i1b s LYS 138 Ca 0.29 2.07 0.00 0.00 -1.00 0.00 0.00 55.97 57.34 7i1b s LYS 138 Cb -0.00 -4.08 0.00 0.00 -2.06 0.00 0.00 37.83 31.68 7i1b s LYS 138 CO -0.18 -1.17 0.00 0.41 0.10 0.00 0.00 175.35 174.51 7i1b n GLY 139 N 4.59 2.52 7.00 0.59 0.00 -1.26 -4.94 105.19 113.68 7i1b n GLY 139 Ca 0.20 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 3.13 0.08 -0.02 0.00 -1.26 -2.96 105.19 104.16 7i1b n GLY 140 Ca 0.00 0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 14.00 1.23 -2.20 1.61 0.00 -1.26 -4.98 117.38 125.79 7i1b n GLN 141 Ca 0.00 0.02 -0.36 0.00 -0.00 0.00 0.00 57.00 56.67 7i1b n GLN 141 Cb 0.00 -1.39 0.01 0.00 0.00 0.00 0.00 30.24 28.85 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 -5.15 5.71 -0.59 1.69 1.11 -1.16 -4.83 116.67 113.45 7i1b s ASP 142 Ca -0.12 2.27 -0.19 0.00 0.18 0.00 0.00 52.55 54.69 7i1b s ASP 142 Cb 0.05 -2.59 0.10 0.00 1.07 0.00 0.00 42.92 41.55 7i1b s ASP 142 CO 0.59 -1.23 0.69 -0.63 1.18 0.00 0.00 175.17 175.76 7i1b s ILE 143 N -1.67 4.84 -0.13 0.77 1.01 -1.10 -4.39 121.20 120.53 7i1b s ILE 143 Ca 0.72 -1.00 0.18 0.00 0.00 0.00 0.00 60.65 60.55 7i1b s ILE 143 Cb -0.27 -4.48 -0.20 0.00 0.01 0.00 0.00 42.46 37.53 7i1b s ILE 143 CO 0.31 -1.10 0.57 0.35 0.00 0.00 0.00 174.94 175.07 7i1b n THR 144 N 5.54 0.99 -1.29 2.92 -2.24 -1.26 -1.41 114.28 117.53 7i1b n THR 144 Ca -0.10 -0.69 -0.29 0.00 -2.27 0.00 0.00 64.05 60.70 7i1b n THR 144 Cb 0.42 -0.52 0.14 0.00 -2.10 0.00 0.00 70.33 68.28 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 -5.45 3.41 0.26 3.42 1.47 -1.26 -4.63 116.67 113.89 7i1b s ASP 145 Ca -0.06 1.32 -0.06 0.00 1.18 0.00 0.00 52.55 54.93 7i1b s ASP 145 Cb 0.09 -2.00 0.03 0.00 -0.34 0.00 0.00 42.92 40.70 7i1b s ASP 145 CO 0.83 -2.65 0.45 0.49 0.68 0.00 0.00 175.17 174.97 7i1b n PHE 146 N -3.88 -1.60 -3.63 2.11 3.72 0.23 -4.45 117.46 109.96 7i1b n PHE 146 Ca 0.06 -1.39 -0.06 0.00 -0.05 0.00 0.00 57.45 56.01 7i1b n PHE 146 Cb 0.56 0.53 -0.07 0.00 -0.94 0.00 0.00 39.48 39.56 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 -0.78 0.26 4.37 -4.23 -0.12 -1.29 115.64 111.33 7i1b s THR 147 Ca 0.14 0.10 0.08 0.00 -1.18 0.00 0.00 61.69 60.83 7i1b s THR 147 Cb -0.02 -0.80 -0.04 0.00 1.34 0.00 0.00 72.50 72.98 7i1b s THR 147 CO 0.11 0.04 0.12 0.00 -0.54 0.00 0.00 174.62 174.35 7i1b s MET 148 N 2.72 2.70 -0.22 3.99 0.23 -1.26 -0.92 119.30 126.54 7i1b s MET 148 Ca -0.02 -1.19 -0.16 0.00 -1.03 0.00 0.00 55.69 53.30 7i1b s MET 148 Cb -0.12 -2.42 0.06 0.00 -1.53 0.00 0.00 34.83 30.82 7i1b s MET 148 CO -0.15 0.39 0.56 -1.14 -2.03 0.00 0.00 175.02 172.64 7i1b s GLN 149 N -3.78 0.60 0.99 3.16 0.74 -0.98 -4.98 119.66 115.40 7i1b s GLN 149 Ca 0.32 0.92 -0.15 0.00 0.05 0.00 0.00 55.36 56.50 7i1b s GLN 149 Cb -0.07 0.17 0.01 0.00 1.10 0.00 0.00 33.01 34.21 7i1b s GLN 149 CO 0.23 -0.12 0.06 1.19 -0.55 0.00 0.00 175.29 176.09 7i1b n PHE 150 N 3.66 -2.05 -4.38 1.67 3.01 -1.26 -2.16 117.46 115.95 7i1b n PHE 150 Ca -0.18 0.19 -0.19 0.00 1.01 0.00 0.00 57.45 58.28 7i1b n PHE 150 Cb 0.57 -1.67 -0.10 0.00 -0.01 0.00 0.00 39.48 38.26 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 -2.29 1.24 -0.03 -4.37 -7.23 -1.17 -4.67 120.40 101.88 7i1b s VAL 151 Ca 0.53 -2.05 -0.07 0.00 -1.81 0.00 0.00 61.98 58.58 7i1b s VAL 151 Cb -0.18 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 34.31 7i1b s VAL 151 CO 0.70 -0.25 0.16 -0.44 -0.31 0.00 0.00 175.10 174.95 7i1b s SER 152 N -3.38 -0.07 0.00 4.85 0.01 -1.26 -4.98 113.70 108.87 7i1b s SER 152 Ca 0.30 0.04 0.27 0.00 1.31 0.00 0.00 55.95 57.88 7i1b s SER 152 Cb 0.06 0.27 0.90 0.00 0.21 0.00 0.00 66.02 67.46 7i1b s SER 152 CO 0.11 -0.24 1.66 -0.24 0.41 0.00 0.00 173.24 174.94