#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 0.92 -3.98 0.00 -0.04 -1.26 -4.81 135.00 125.83 7i1b n PRO 2 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 7i1b n PRO 2 Cb 0.00 -1.12 -0.03 0.00 -0.04 0.00 0.00 33.50 32.31 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 -0.12 5.14 -0.36 0.52 -7.23 -1.26 -5.04 120.40 112.05 7i1b s VAL 3 Ca 0.00 -0.89 -0.09 0.00 -1.81 0.00 0.00 61.98 59.19 7i1b s VAL 3 Cb 0.00 -3.71 0.03 0.00 0.56 0.00 0.00 36.38 33.26 7i1b s VAL 3 CO 0.00 -0.20 0.16 -0.13 -0.31 0.00 0.00 175.10 174.63 7i1b s ARG 4 N -3.53 2.77 0.28 4.82 0.52 -1.26 -5.05 118.95 117.50 7i1b s ARG 4 Ca 0.34 -1.10 -0.02 0.00 -0.52 0.00 0.00 55.73 54.43 7i1b s ARG 4 Cb -0.10 -3.62 -0.04 0.00 0.52 0.00 0.00 34.95 31.71 7i1b s ARG 4 CO 0.28 -0.67 0.51 -1.12 0.02 0.00 0.00 175.30 174.32 7i1b s SER 5 N 1.50 6.38 -0.05 0.23 0.01 -1.26 -2.87 113.70 117.64 7i1b s SER 5 Ca 0.01 0.55 -0.02 0.00 1.31 0.00 0.00 55.95 57.80 7i1b s SER 5 Cb -0.19 -2.07 0.03 0.00 0.21 0.00 0.00 66.02 63.99 7i1b s SER 5 CO 0.05 -0.19 0.04 -0.22 0.41 0.00 0.00 173.24 173.33 7i1b s LEU 6 N -3.73 0.39 0.22 2.44 1.98 0.70 -4.97 118.68 115.71 7i1b s LEU 6 Ca 0.41 0.02 -0.30 0.00 -2.89 0.00 0.00 54.13 51.38 7i1b s LEU 6 Cb -0.10 -0.23 -0.08 0.00 0.66 0.00 0.00 46.19 46.43 7i1b s LEU 6 CO 0.32 -0.22 1.06 0.20 -1.89 0.00 0.00 176.35 175.82 7i1b s ASN 7 N 1.98 7.36 -0.14 3.68 0.01 -1.26 0.11 114.94 126.67 7i1b s ASN 7 Ca 0.03 2.09 -0.31 0.00 -0.71 0.00 0.00 52.86 53.96 7i1b s ASN 7 Cb -0.12 -2.61 0.13 0.00 0.41 0.00 0.00 41.25 39.06 7i1b s ASN 7 CO -0.04 -0.11 1.08 0.00 -1.51 0.00 0.00 177.10 176.52 7i1b s THR 9 N -2.06 2.22 -0.04 0.00 -4.23 -1.06 -1.65 115.64 108.83 7i1b s THR 9 Ca 0.05 -1.15 0.01 0.00 -1.18 0.00 0.00 61.69 59.41 7i1b s THR 9 Cb -0.01 -2.37 0.02 0.00 1.34 0.00 0.00 72.50 71.48 7i1b s THR 9 CO -0.04 0.00 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.25 7i1b s LEU 10 N -4.47 1.29 -0.01 4.79 1.43 -1.26 -2.53 118.68 117.91 7i1b s LEU 10 Ca 0.53 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.56 7i1b s LEU 10 Cb -0.05 -0.37 -0.00 0.00 0.03 0.00 0.00 46.19 45.80 7i1b s LEU 10 CO 0.33 -0.07 -0.09 -0.60 0.23 0.00 0.00 176.35 176.14 7i1b s ARG 11 N 0.93 0.85 0.75 1.70 3.52 -0.44 -3.46 118.95 122.80 7i1b s ARG 11 Ca -0.11 -0.33 -0.13 0.00 -0.13 0.00 0.00 55.73 55.03 7i1b s ARG 11 Cb -0.14 -0.81 0.18 0.00 -1.56 0.00 0.00 34.95 32.62 7i1b s ARG 11 CO -0.00 0.17 0.78 -0.40 -0.81 0.00 0.00 175.30 175.04 7i1b n ASP 12 N 3.00 -1.09 0.22 -2.12 5.75 -0.34 -0.51 116.55 121.47 7i1b n ASP 12 Ca -0.15 -1.07 0.15 0.00 -0.01 0.00 0.00 54.79 53.70 7i1b n ASP 12 Cb 0.56 -0.67 0.54 0.00 -1.03 0.00 0.00 41.12 40.52 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 -1.79 0.00 -0.31 -1.12 4.64 -1.88 -2.70 113.55 110.38 7i1b h SER 13 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 7i1b h SER 13 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 7i1b h SER 13 CO 0.19 0.00 0.00 1.67 -0.87 0.00 0.00 176.83 177.82 7i1b n GLN 14 N -2.81 2.05 -0.72 4.77 7.27 -1.26 -4.90 117.38 121.78 7i1b n GLN 14 Ca 0.02 -1.60 0.00 0.00 0.07 0.00 0.00 57.00 55.49 7i1b n GLN 14 Cb 0.33 -1.42 0.00 0.00 2.41 0.00 0.00 30.24 31.56 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 0.81 0.00 -2.23 3.69 7.27 -1.02 -5.04 117.38 120.86 7i1b n GLN 15 Ca 0.17 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.90 7i1b n GLN 15 Cb 0.43 -1.95 -0.00 0.00 2.41 0.00 0.00 30.24 31.13 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 -0.28 3.44 0.36 3.69 1.02 -1.26 -4.77 119.74 121.94 7i1b s LYS 16 Ca 0.00 1.36 0.08 0.00 0.02 0.00 0.00 55.97 57.44 7i1b s LYS 16 Cb 0.00 -2.04 -0.05 0.00 -0.52 0.00 0.00 37.83 35.22 7i1b s LYS 16 CO 0.00 -0.73 0.13 -1.12 -0.92 0.00 0.00 175.35 172.70 7i1b s SER 17 N -2.27 4.50 -0.09 2.83 0.01 -1.01 -1.19 113.70 116.47 7i1b s SER 17 Ca 0.67 -0.91 -0.11 0.00 1.31 0.00 0.00 55.95 56.91 7i1b s SER 17 Cb -0.18 -0.61 -0.05 0.00 0.21 0.00 0.00 66.02 65.39 7i1b s SER 17 CO 0.29 -0.36 0.26 -0.76 0.41 0.00 0.00 173.24 173.09 7i1b s LEU 18 N -3.84 4.38 -0.01 2.44 1.43 -1.22 -2.44 118.68 119.42 7i1b s LEU 18 Ca 0.38 0.63 0.04 0.00 -1.03 0.00 0.00 54.13 54.15 7i1b s LEU 18 Cb -0.00 -2.31 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 7i1b s LEU 18 CO 0.22 0.30 -0.13 0.68 0.23 0.00 0.00 176.35 177.65 7i1b s VAL 19 N -0.64 1.06 -0.92 -1.59 -7.23 0.90 -2.59 120.40 109.40 7i1b s VAL 19 Ca 0.18 -0.61 -0.23 0.00 -1.81 0.00 0.00 61.98 59.52 7i1b s VAL 19 Cb -0.14 -0.89 0.07 0.00 0.56 0.00 0.00 36.38 35.98 7i1b s VAL 19 CO 0.07 0.27 1.29 0.00 -0.31 0.00 0.00 175.10 176.42 7i1b s MET 20 N -0.39 3.48 0.37 4.82 0.23 -1.26 -0.41 119.30 126.14 7i1b s MET 20 Ca 0.05 -1.11 0.27 0.00 -1.03 0.00 0.00 55.69 53.86 7i1b s MET 20 Cb -0.05 -4.95 0.91 0.00 -1.53 0.00 0.00 34.83 29.21 7i1b s MET 20 CO -0.00 -2.05 1.78 1.03 -2.03 0.00 0.00 175.02 173.75 7i1b h SER 21 N 9.57 0.00 -3.69 -1.18 0.87 -1.83 -3.46 113.55 113.83 7i1b h SER 21 Ca 0.06 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.43 7i1b h SER 21 Cb 1.03 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.95 7i1b h SER 21 CO 1.30 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 178.21 7i1b n GLY 22 N 0.55 1.67 0.52 5.77 0.00 -1.05 -5.00 105.19 107.65 7i1b n GLY 22 Ca 0.03 -1.49 -0.20 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.22 -0.84 1.61 0.11 -2.02 -3.17 132.00 126.46 7i1b h PRO 23 Ca -0.30 0.08 -0.56 0.00 0.11 0.00 0.00 66.00 65.33 7i1b h PRO 23 Cb 1.24 0.28 -0.31 0.00 0.11 0.00 0.00 31.00 32.32 7i1b h PRO 23 CO 0.40 -0.82 0.22 0.66 -0.21 0.00 0.00 178.00 178.25 7i1b n TYR 24 N -5.57 2.80 -3.79 0.65 4.01 -1.26 -4.95 117.16 109.06 7i1b n TYR 24 Ca -0.16 -2.51 -0.14 0.00 -0.16 0.00 0.00 57.90 54.94 7i1b n TYR 24 Cb 0.51 -0.95 -0.15 0.00 -0.31 0.00 0.00 39.34 38.45 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 -3.64 0.04 0.12 -0.72 2.02 -1.20 -4.55 118.70 110.77 7i1b s GLU 25 Ca 0.57 0.22 0.08 0.00 0.02 0.00 0.00 54.97 55.86 7i1b s GLU 25 Cb 0.46 -0.14 -0.04 0.00 0.10 0.00 0.00 34.13 34.52 7i1b s GLU 25 CO 0.02 -0.12 -0.18 -0.51 0.02 0.00 0.00 175.26 174.48 7i1b s LEU 26 N 0.79 2.35 0.03 1.80 1.43 -1.26 -2.53 118.68 121.30 7i1b s LEU 26 Ca -0.06 -0.75 0.01 0.00 -1.03 0.00 0.00 54.13 52.30 7i1b s LEU 26 Cb -0.09 -0.77 -0.02 0.00 0.03 0.00 0.00 46.19 45.34 7i1b s LEU 26 CO -0.03 -0.01 -0.05 -0.54 0.23 0.00 0.00 176.35 175.94 7i1b s LYS 27 N -2.26 0.42 -0.23 1.70 1.02 0.45 -2.21 119.74 118.63 7i1b s LYS 27 Ca 0.08 -0.68 -0.02 0.00 0.02 0.00 0.00 55.97 55.37 7i1b s LYS 27 Cb -0.08 -0.09 0.02 0.00 -0.52 0.00 0.00 37.83 37.16 7i1b s LYS 27 CO 0.04 -0.00 -0.07 0.00 -0.92 0.00 0.00 175.35 174.41 7i1b s ALA 28 N -1.42 2.70 0.39 5.17 0.00 -1.13 -0.07 121.76 127.40 7i1b s ALA 28 Ca -0.13 -1.35 -0.13 0.00 0.00 0.00 0.00 51.96 50.35 7i1b s ALA 28 Cb -0.10 -1.65 0.05 0.00 0.00 0.00 0.00 23.12 21.42 7i1b s ALA 28 CO -0.00 -0.66 0.74 -0.48 0.00 0.00 0.00 175.76 175.36 7i1b s LEU 29 N 1.37 0.22 0.17 0.00 0.05 -1.02 -4.39 118.68 115.07 7i1b s LEU 29 Ca 0.02 -1.26 -0.30 0.00 0.05 0.00 0.00 54.13 52.64 7i1b s LEU 29 Cb -0.16 2.62 -0.08 0.00 -2.05 0.00 0.00 46.19 46.52 7i1b s LEU 29 CO -0.05 -1.65 1.27 -1.00 -0.55 0.00 0.00 176.35 174.36 7i1b s HIS 30 N -2.30 3.33 -0.08 3.48 3.76 -1.26 -2.39 115.29 119.83 7i1b s HIS 30 Ca 0.19 1.27 0.03 0.00 -0.15 0.00 0.00 55.06 56.40 7i1b s HIS 30 Cb -0.04 -3.53 0.00 0.00 1.11 0.00 0.00 32.58 30.12 7i1b s HIS 30 CO 0.14 -1.63 -0.20 -1.17 -0.85 0.00 0.00 174.74 171.03 7i1b s LEU 31 N 0.09 1.93 -0.00 0.89 2.96 -1.26 -4.97 118.68 118.32 7i1b s LEU 31 Ca 0.56 -0.46 -0.29 0.00 -0.22 0.00 0.00 54.13 53.72 7i1b s LEU 31 Cb -0.34 -1.19 0.07 0.00 0.50 0.00 0.00 46.19 45.23 7i1b s LEU 31 CO 0.36 0.12 0.68 -1.58 -1.32 0.00 0.00 176.35 174.60 7i1b s GLN 32 N 0.43 1.09 0.84 1.98 0.74 -1.26 -4.93 119.66 118.55 7i1b s GLN 32 Ca -0.16 0.08 0.00 0.00 0.05 0.00 0.00 55.36 55.32 7i1b s GLN 32 Cb -0.17 0.51 0.00 0.00 1.10 0.00 0.00 33.01 34.45 7i1b s GLN 32 CO 0.07 -0.38 0.00 0.41 -0.55 0.00 0.00 175.29 174.84 7i1b n GLY 33 N 0.58 -1.95 0.46 2.59 0.00 -1.26 -4.01 105.19 101.61 7i1b n GLY 33 Ca -0.18 -1.57 0.28 0.00 0.00 0.00 0.00 46.02 44.54 7i1b n GLY 33 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 7i1b h GLN 34 N 0.00 0.10 0.00 1.61 4.15 -2.05 0.42 115.11 119.34 7i1b h GLN 34 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 7i1b h GLN 34 Cb 0.00 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.67 7i1b h GLN 34 CO 0.00 0.07 0.00 -3.47 -1.93 0.00 0.00 178.83 173.50 7i1b n ASP 35 N -4.33 0.00 -0.12 -0.69 2.03 -1.26 -2.35 116.55 109.83 7i1b n ASP 35 Ca 0.20 -0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.50 7i1b n ASP 35 Cb 0.96 -0.05 0.25 0.00 -0.72 0.00 0.00 41.12 41.56 7i1b n ASP 35 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 7i1b h MET 36 N 0.00 0.80 0.00 -0.67 4.05 -0.36 -1.62 114.93 117.13 7i1b h MET 36 Ca 0.00 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 7i1b h MET 36 Cb 0.00 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 30.66 7i1b h MET 36 CO 0.00 0.64 0.00 -0.85 0.23 0.00 0.00 176.91 176.94 7i1b n GLU 37 N -4.35 0.00 -0.64 0.39 0.28 -0.99 -2.01 120.64 113.32 7i1b n GLU 37 Ca 0.05 0.05 -0.12 0.00 -0.16 0.00 0.00 57.16 56.98 7i1b n GLU 37 Cb 0.15 -1.50 0.10 0.00 1.43 0.00 0.00 31.44 31.61 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 -1.02 1.70 -3.04 3.44 6.02 -0.61 -4.85 117.38 119.02 7i1b n GLN 38 Ca 0.00 -1.58 -0.42 0.00 -0.01 0.00 0.00 57.00 54.99 7i1b n GLN 38 Cb 0.00 -1.63 -0.06 0.00 1.02 0.00 0.00 30.24 29.58 7i1b n GLN 38 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 7i1b s GLN 39 N -1.73 3.51 0.74 -1.09 0.74 -0.85 -4.36 119.66 116.62 7i1b s GLN 39 Ca 0.30 -0.06 -0.12 0.00 0.05 0.00 0.00 55.36 55.53 7i1b s GLN 39 Cb 0.25 -3.88 0.04 0.00 1.10 0.00 0.00 33.01 30.52 7i1b s GLN 39 CO 0.06 -0.94 1.10 0.08 -0.55 0.00 0.00 175.29 175.04 7i1b s VAL 40 N 2.97 3.22 -0.19 1.34 1.01 -1.07 -5.04 120.40 122.66 7i1b s VAL 40 Ca 0.27 0.45 -0.03 0.00 0.00 0.00 0.00 61.98 62.67 7i1b s VAL 40 Cb -0.13 -2.93 0.06 0.00 0.00 0.00 0.00 36.38 33.37 7i1b s VAL 40 CO 0.19 -0.47 0.03 -0.69 0.00 0.00 0.00 175.10 174.16 7i1b s VAL 41 N -2.70 0.56 0.31 2.92 1.01 -1.26 -4.67 120.40 116.57 7i1b s VAL 41 Ca 0.63 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 7i1b s VAL 41 Cb -0.19 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 7i1b s VAL 41 CO 0.51 -0.17 0.54 -0.36 0.00 0.00 0.00 175.10 175.63 7i1b s PHE 42 N 1.85 3.49 -0.48 5.22 0.40 -0.66 -3.06 117.98 124.75 7i1b s PHE 42 Ca -0.01 0.46 -0.02 0.00 -0.60 0.00 0.00 56.93 56.76 7i1b s PHE 42 Cb -0.17 -1.97 0.13 0.00 0.51 0.00 0.00 43.02 41.52 7i1b s PHE 42 CO -0.08 0.15 0.28 0.45 0.70 0.00 0.00 175.22 176.72 7i1b s SER 43 N -3.64 5.19 0.71 1.36 0.15 0.16 -1.21 113.70 116.41 7i1b s SER 43 Ca 0.41 -2.35 -0.15 0.00 0.70 0.00 0.00 55.95 54.57 7i1b s SER 43 Cb -0.10 -1.82 0.03 0.00 -1.71 0.00 0.00 66.02 62.41 7i1b s SER 43 CO 0.34 -0.47 1.19 -0.32 1.20 0.00 0.00 173.24 175.18 7i1b s MET 44 N 0.68 2.32 -0.10 5.44 1.75 0.12 -2.47 119.30 127.03 7i1b s MET 44 Ca 0.12 1.69 -0.03 0.00 -1.25 0.00 0.00 55.69 56.22 7i1b s MET 44 Cb -0.22 -1.86 0.05 0.00 2.84 0.00 0.00 34.83 35.64 7i1b s MET 44 CO -0.04 -1.69 0.10 -1.12 -0.65 0.00 0.00 175.02 171.63 7i1b s SER 45 N -2.11 1.45 -0.51 1.11 0.01 0.99 -0.21 113.70 114.44 7i1b s SER 45 Ca 0.73 -0.11 -0.28 0.00 1.31 0.00 0.00 55.95 57.60 7i1b s SER 45 Cb -0.28 -0.05 0.02 0.00 0.21 0.00 0.00 66.02 65.92 7i1b s SER 45 CO 0.44 -0.29 1.35 -0.36 0.41 0.00 0.00 173.24 174.79 7i1b s PHE 46 N 2.20 2.43 0.31 2.43 0.08 -1.14 -0.32 117.98 123.97 7i1b s PHE 46 Ca 0.04 0.55 0.04 0.00 0.12 0.00 0.00 56.93 57.69 7i1b s PHE 46 Cb -0.14 -4.40 0.04 0.00 -0.57 0.00 0.00 43.02 37.96 7i1b s PHE 46 CO -0.06 -1.83 0.35 1.33 -0.10 0.00 0.00 175.22 174.91 7i1b n VAL 47 N 6.90 0.00 -3.59 -0.44 0.24 -1.05 -4.46 118.33 115.92 7i1b n VAL 47 Ca 0.13 -1.12 -0.36 0.00 -2.04 0.00 0.00 64.34 60.95 7i1b n VAL 47 Cb 0.49 -0.53 -0.07 0.00 -1.47 0.00 0.00 33.84 32.26 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 -3.35 4.17 0.00 7.34 2.00 0.80 -4.78 119.66 125.84 7i1b s GLN 48 Ca 0.26 0.04 0.00 0.00 -2.00 0.00 0.00 55.36 53.67 7i1b s GLN 48 Cb -0.02 -3.40 0.00 0.00 0.80 0.00 0.00 33.01 30.39 7i1b s GLN 48 CO 0.17 0.31 0.00 0.41 -0.50 0.00 0.00 175.29 175.68 7i1b n GLY 49 N 3.23 1.38 3.53 2.59 0.00 -1.26 -4.60 105.19 110.05 7i1b n GLY 49 Ca -0.13 -0.79 -0.20 0.00 0.00 0.00 0.00 46.02 44.90 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 0.30 -2.08 1.61 1.02 -1.26 -4.75 120.64 115.47 7i1b n GLU 50 Ca 0.00 -0.38 -0.35 0.00 -0.02 0.00 0.00 57.16 56.41 7i1b n GLU 50 Cb 0.00 -2.35 -0.04 0.00 -0.02 0.00 0.00 31.44 29.03 7i1b n GLU 50 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 7i1b n GLU 51 N 7.30 2.08 0.00 3.49 4.07 -1.26 -4.67 120.64 131.65 7i1b n GLU 51 Ca 0.57 -2.62 0.00 0.00 -0.06 0.00 0.00 57.16 55.05 7i1b n GLU 51 Cb 0.28 -3.55 0.00 0.00 -0.06 0.00 0.00 31.44 28.11 7i1b n GLU 51 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 7i1b n SER 52 N 11.58 0.00 -0.01 4.31 2.88 -1.23 -5.01 113.62 126.14 7i1b n SER 52 Ca 0.47 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.87 7i1b n SER 52 Cb 0.45 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.77 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 1.39 0.00 -3.46 3.02 -1.26 -4.61 115.26 110.34 7i1b n ASN 53 Ca 0.00 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 7i1b n ASN 53 Cb 0.00 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 7i1b n ASN 53 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 7i1b n ASP 54 N -3.23 5.00 -4.61 6.41 8.00 -1.26 -4.97 116.55 121.89 7i1b n ASP 54 Ca -0.23 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 54.84 7i1b n ASP 54 Cb 1.05 0.52 -0.02 0.00 -0.02 0.00 0.00 41.12 42.65 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 -2.00 3.64 -0.51 -1.24 1.02 -1.26 -4.32 119.74 115.06 7i1b s LYS 55 Ca 0.00 1.08 -0.03 0.00 0.02 0.00 0.00 55.97 57.04 7i1b s LYS 55 Cb 0.00 -4.01 0.13 0.00 -0.52 0.00 0.00 37.83 33.44 7i1b s LYS 55 CO 0.00 -1.48 0.32 0.42 -0.92 0.00 0.00 175.35 173.69 7i1b s ILE 56 N 5.31 3.54 -0.13 2.17 -1.09 -1.02 -3.47 121.20 126.51 7i1b s ILE 56 Ca 0.62 -2.47 -0.29 0.00 -2.23 0.00 0.00 60.65 56.28 7i1b s ILE 56 Cb -0.16 -3.36 -0.06 0.00 -1.58 0.00 0.00 42.46 37.30 7i1b s ILE 56 CO 0.31 -0.78 2.08 -2.84 -1.23 0.00 0.00 174.94 172.47 7i1b s PRO 57 N 0.58 3.55 0.01 2.79 0.02 -1.26 -2.05 135.00 138.64 7i1b s PRO 57 Ca 0.12 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.35 7i1b s PRO 57 Cb -0.22 -4.27 -0.00 0.00 0.02 0.00 0.00 34.50 30.03 7i1b s PRO 57 CO -0.04 -1.62 0.00 1.33 -0.33 0.00 0.00 177.00 176.34 7i1b n VAL 58 N 6.84 0.00 -3.74 3.83 0.24 -0.60 -2.54 118.33 122.37 7i1b n VAL 58 Ca 0.25 -0.05 -0.13 0.00 -2.04 0.00 0.00 64.34 62.38 7i1b n VAL 58 Cb 0.44 0.01 -0.14 0.00 -1.47 0.00 0.00 33.84 32.68 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 -2.02 -0.44 -0.42 2.33 0.00 0.56 -1.85 121.76 119.92 7i1b s ALA 59 Ca 0.00 0.87 -0.15 0.00 0.00 0.00 0.00 51.96 52.68 7i1b s ALA 59 Cb 0.00 -0.56 0.03 0.00 0.00 0.00 0.00 23.12 22.59 7i1b s ALA 59 CO 0.00 -0.18 0.31 -0.51 0.00 0.00 0.00 175.76 175.38 7i1b s LEU 60 N 1.22 5.17 -0.08 0.00 1.43 -1.26 -0.01 118.68 125.16 7i1b s LEU 60 Ca -0.09 -0.97 0.03 0.00 -1.03 0.00 0.00 54.13 52.07 7i1b s LEU 60 Cb -0.11 -2.16 0.01 0.00 0.03 0.00 0.00 46.19 43.96 7i1b s LEU 60 CO -0.07 -0.48 -0.16 -0.83 0.23 0.00 0.00 176.35 175.04 7i1b s GLY 61 N 1.81 0.97 0.05 -3.19 0.00 -1.03 -2.38 107.32 103.55 7i1b s GLY 61 Ca 0.05 -0.60 -0.35 0.00 0.00 0.00 0.00 44.72 43.82 7i1b s GLY 61 CO 0.09 -0.03 1.57 1.04 0.00 0.00 0.00 173.10 175.78 7i1b n LEU 62 N 3.72 2.66 0.11 0.66 4.77 -0.46 0.38 117.00 128.83 7i1b n LEU 62 Ca -0.22 1.07 -0.13 0.00 -0.03 0.00 0.00 56.01 56.70 7i1b n LEU 62 Cb 0.52 -1.32 -0.08 0.00 -2.33 0.00 0.00 43.42 40.21 7i1b n LEU 62 CO 0.26 -0.49 0.76 0.50 -1.33 0.00 0.00 177.39 177.10 7i1b h LYS 63 N 6.19 -0.21 0.42 3.23 3.64 -1.82 -3.22 116.57 124.80 7i1b h LYS 63 Ca -0.46 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.92 7i1b h LYS 63 Cb 1.29 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 7i1b h LYS 63 CO 0.87 -0.06 -0.29 0.93 -2.27 0.00 0.00 179.45 178.63 7i1b h GLU 64 N -0.31 -0.66 0.00 1.90 5.08 -1.89 -3.45 114.58 115.24 7i1b h GLU 64 Ca -0.02 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 7i1b h GLU 64 Cb 0.25 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.65 7i1b h GLU 64 CO 0.04 -0.44 0.00 1.63 -1.00 0.00 0.00 179.01 179.23 7i1b n LYS 65 N -5.42 1.46 -1.94 2.33 5.02 -1.22 -5.04 118.16 113.36 7i1b n LYS 65 Ca -0.11 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.95 7i1b n LYS 65 Cb 0.32 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.36 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 -2.23 4.92 -4.77 4.39 0.23 -1.26 -4.45 115.26 112.10 7i1b n ASN 66 Ca 0.00 -3.76 -0.38 0.00 -0.53 0.00 0.00 54.58 49.91 7i1b n ASN 66 Cb 0.00 -0.37 -0.06 0.00 -2.08 0.00 0.00 39.78 37.26 7i1b n ASN 66 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 7i1b s LEU 67 N -3.60 4.36 -0.14 -4.53 1.43 -1.26 -2.70 118.68 112.24 7i1b s LEU 67 Ca 0.51 0.87 0.02 0.00 -1.03 0.00 0.00 54.13 54.50 7i1b s LEU 67 Cb 0.41 -2.64 0.01 0.00 0.03 0.00 0.00 46.19 44.00 7i1b s LEU 67 CO 0.03 0.14 -0.21 -0.31 0.23 0.00 0.00 176.35 176.23 7i1b s TYR 68 N -0.08 2.61 0.30 0.29 1.51 -1.02 -1.35 117.35 119.61 7i1b s TYR 68 Ca 0.25 -1.33 -0.29 0.00 -1.01 0.00 0.00 57.07 54.69 7i1b s TYR 68 Cb -0.16 -1.78 -0.13 0.00 -0.11 0.00 0.00 41.96 39.78 7i1b s TYR 68 CO 0.11 -0.61 1.21 1.28 -1.11 0.00 0.00 175.55 176.43 7i1b n LEU 69 N 4.12 2.84 -3.80 -1.29 4.32 -1.00 -2.46 117.00 119.73 7i1b n LEU 69 Ca -0.20 1.19 -0.15 0.00 -0.02 0.00 0.00 56.01 56.83 7i1b n LEU 69 Cb 0.51 -1.40 -0.16 0.00 -1.62 0.00 0.00 43.42 40.75 7i1b n LEU 69 CO 0.27 -0.81 -0.36 -0.94 -1.22 0.00 0.00 177.39 174.33 7i1b s SER 70 N -0.28 0.13 -0.47 -1.43 1.04 0.11 -4.49 113.70 108.30 7i1b s SER 70 Ca 0.59 0.02 -0.19 0.00 0.48 0.00 0.00 55.95 56.85 7i1b s SER 70 Cb -0.63 -0.08 0.04 0.00 0.10 0.00 0.00 66.02 65.44 7i1b s SER 70 CO 0.59 -0.10 0.60 0.00 0.98 0.00 0.00 173.24 175.32 7i1b s VAL 72 N 2.62 1.61 0.01 0.00 -7.23 -0.91 -4.73 120.40 111.77 7i1b s VAL 72 Ca 0.17 -2.07 -0.23 0.00 -1.81 0.00 0.00 61.98 58.03 7i1b s VAL 72 Cb -0.17 -2.65 -0.05 0.00 0.56 0.00 0.00 36.38 34.06 7i1b s VAL 72 CO 0.14 -0.16 0.70 -0.76 -0.31 0.00 0.00 175.10 174.72 7i1b s LEU 73 N -3.51 4.42 -0.65 1.32 1.43 -1.26 -1.25 118.68 119.17 7i1b s LEU 73 Ca 0.33 1.32 0.05 0.00 -1.03 0.00 0.00 54.13 54.79 7i1b s LEU 73 Cb 0.06 -3.11 0.16 0.00 0.03 0.00 0.00 46.19 43.33 7i1b s LEU 73 CO 0.14 0.02 0.45 -0.54 0.23 0.00 0.00 176.35 176.65 7i1b s LYS 74 N 0.05 2.26 0.00 1.70 -0.14 0.77 -4.70 119.74 119.68 7i1b s LYS 74 Ca 0.36 -3.13 0.00 0.00 -1.36 0.00 0.00 55.97 51.84 7i1b s LYS 74 Cb -0.19 -3.23 0.00 0.00 -1.68 0.00 0.00 37.83 32.72 7i1b s LYS 74 CO 0.20 -1.27 0.00 -0.25 -0.76 0.00 0.00 175.35 173.28 7i1b n ASP 75 N 2.22 -1.68 -0.18 2.83 8.00 -1.26 -3.59 116.55 122.89 7i1b n ASP 75 Ca 0.18 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.66 7i1b n ASP 75 Cb 0.36 -0.42 -0.01 0.00 -0.02 0.00 0.00 41.12 41.03 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 0.11 -4.75 -4.11 -2.24 8.00 -1.26 -4.98 116.55 107.32 7i1b n ASP 76 Ca 0.00 0.06 -0.32 0.00 0.71 0.00 0.00 54.79 55.24 7i1b n ASP 76 Cb 0.42 -2.46 -0.16 0.00 -0.02 0.00 0.00 41.12 38.90 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 -1.55 2.76 0.43 -1.24 2.20 -1.24 -5.08 119.74 116.03 7i1b s LYS 77 Ca 0.00 -0.75 -0.25 0.00 -0.36 0.00 0.00 55.97 54.61 7i1b s LYS 77 Cb 0.00 -2.35 -0.10 0.00 -1.51 0.00 0.00 37.83 33.87 7i1b s LYS 77 CO 0.00 -0.14 1.19 -2.30 -0.36 0.00 0.00 175.35 173.74 7i1b n PRO 78 N 4.45 1.72 -3.69 4.03 -0.02 -1.26 -0.16 135.00 140.06 7i1b n PRO 78 Ca -0.20 0.61 -0.10 0.00 -2.02 0.00 0.00 63.50 61.80 7i1b n PRO 78 Cb 0.51 -2.28 -0.04 0.00 -0.02 0.00 0.00 33.50 31.67 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 -1.23 0.04 -0.12 3.45 2.01 -0.38 -4.70 115.64 114.71 7i1b s THR 79 Ca 0.62 -0.69 -0.04 0.00 0.31 0.00 0.00 61.69 61.90 7i1b s THR 79 Cb -0.52 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 7i1b s THR 79 CO 0.57 -0.16 0.03 -0.22 -0.69 0.00 0.00 174.62 174.15 7i1b s LEU 80 N -2.85 3.71 0.06 4.42 2.96 -1.26 -2.14 118.68 123.59 7i1b s LEU 80 Ca 0.07 0.15 -0.21 0.00 -0.22 0.00 0.00 54.13 53.93 7i1b s LEU 80 Cb -0.00 -1.88 0.05 0.00 0.50 0.00 0.00 46.19 44.86 7i1b s LEU 80 CO -0.06 0.33 0.50 -1.58 -1.32 0.00 0.00 176.35 174.21 7i1b s GLN 81 N -0.55 1.03 0.04 1.98 0.74 -0.73 -4.79 119.66 117.38 7i1b s GLN 81 Ca 0.10 -0.31 -0.18 0.00 0.05 0.00 0.00 55.36 55.02 7i1b s GLN 81 Cb -0.12 0.47 -0.06 0.00 1.10 0.00 0.00 33.01 34.40 7i1b s GLN 81 CO 0.02 -0.38 0.53 -0.51 -0.55 0.00 0.00 175.29 174.41 7i1b s LEU 82 N -2.09 4.49 -0.07 3.68 1.43 -1.26 0.07 118.68 124.93 7i1b s LEU 82 Ca -0.04 1.17 -0.02 0.00 -1.03 0.00 0.00 54.13 54.20 7i1b s LEU 82 Cb -0.00 -2.82 0.03 0.00 0.03 0.00 0.00 46.19 43.43 7i1b s LEU 82 CO -0.03 0.25 0.04 -0.70 0.23 0.00 0.00 176.35 176.14 7i1b s GLU 83 N -0.92 0.21 -0.05 1.70 2.12 -1.03 -4.92 118.70 115.82 7i1b s GLU 83 Ca 0.28 0.19 -0.30 0.00 0.36 0.00 0.00 54.97 55.50 7i1b s GLU 83 Cb -0.19 -0.91 -0.06 0.00 0.26 0.00 0.00 34.13 33.23 7i1b s GLU 83 CO 0.17 -0.38 1.77 0.45 -0.54 0.00 0.00 175.26 176.74 7i1b s SER 84 N 2.08 6.51 0.04 -1.70 0.15 -1.26 -2.43 113.70 117.09 7i1b s SER 84 Ca 0.04 2.29 0.00 0.00 0.70 0.00 0.00 55.95 58.98 7i1b s SER 84 Cb -0.13 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 7i1b s SER 84 CO -0.05 -1.05 0.00 1.33 1.20 0.00 0.00 173.24 174.67 7i1b n VAL 85 N 5.71 0.00 -3.08 4.45 0.24 -1.10 -4.98 118.33 119.57 7i1b n VAL 85 Ca 0.19 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.07 7i1b n VAL 85 Cb 0.43 -1.19 -0.06 0.00 -1.47 0.00 0.00 33.84 31.54 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 6.44 0.00 -1.34 -1.08 -1.26 -4.90 116.67 113.52 7i1b s ASP 86 Ca 0.00 0.13 0.07 0.00 -0.52 0.00 0.00 52.55 52.23 7i1b s ASP 86 Cb 0.00 -2.34 0.31 0.00 -1.46 0.00 0.00 42.92 39.43 7i1b s ASP 86 CO 0.00 -0.65 1.14 -0.81 0.52 0.00 0.00 175.17 175.37 7i1b n PRO 87 N 6.16 0.05 -0.11 4.34 -0.05 -1.26 -0.77 135.00 143.36 7i1b n PRO 87 Ca -0.00 0.30 -0.20 0.00 -0.05 0.00 0.00 63.50 63.55 7i1b n PRO 87 Cb 0.48 -1.50 -0.12 0.00 -0.05 0.00 0.00 33.50 32.31 7i1b n PRO 87 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 7i1b n LYS 88 N -1.39 0.66 0.04 0.54 5.02 -1.26 -4.52 118.16 117.25 7i1b n LYS 88 Ca 0.02 0.20 -0.11 0.00 -2.02 0.00 0.00 58.31 56.40 7i1b n LYS 88 Cb 0.07 -1.56 -0.13 0.00 -0.02 0.00 0.00 35.03 33.38 7i1b n LYS 88 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 7i1b h ASN 89 N -0.17 0.16 -2.99 4.39 -0.26 -1.91 -3.46 115.58 111.34 7i1b h ASN 89 Ca -0.56 -0.22 -0.61 0.00 -0.56 0.00 0.00 56.30 54.35 7i1b h ASN 89 Cb 1.86 -0.05 -0.04 0.00 -1.06 0.00 0.00 38.32 39.03 7i1b h ASN 89 CO -0.11 1.19 -0.43 -0.31 -1.06 0.00 0.00 177.43 176.71 7i1b s TYR 90 N -2.64 3.51 0.52 1.19 2.02 0.05 -3.81 117.35 118.19 7i1b s TYR 90 Ca -0.05 0.38 -0.18 0.00 -0.37 0.00 0.00 57.07 56.85 7i1b s TYR 90 Cb 0.08 -1.86 -0.07 0.00 -0.40 0.00 0.00 41.96 39.71 7i1b s TYR 90 CO 0.83 0.54 1.04 -1.25 -1.57 0.00 0.00 175.55 175.14 7i1b s PRO 91 N -2.48 3.67 0.12 -1.71 0.04 -1.26 -4.62 135.00 128.76 7i1b s PRO 91 Ca 0.36 1.27 0.06 0.00 0.04 0.00 0.00 61.00 62.73 7i1b s PRO 91 Cb -0.13 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 7i1b s PRO 91 CO 0.26 -0.52 -0.15 0.21 0.04 0.00 0.00 177.00 176.83 7i1b s LYS 92 N -3.57 1.03 0.26 4.56 2.20 -1.25 -4.83 119.74 118.13 7i1b s LYS 92 Ca 0.65 -1.21 -0.02 0.00 -0.36 0.00 0.00 55.97 55.03 7i1b s LYS 92 Cb -0.15 -0.97 0.47 0.00 -1.51 0.00 0.00 37.83 35.67 7i1b s LYS 92 CO 0.26 0.19 1.82 -0.22 -0.36 0.00 0.00 175.35 177.04 7i1b h LYS 93 N 3.64 0.85 -6.07 4.03 3.64 -1.94 -3.41 116.57 117.32 7i1b h LYS 93 Ca -0.41 -0.05 -0.58 0.00 -1.27 0.00 0.00 60.65 58.34 7i1b h LYS 93 Cb 1.19 -0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 32.77 7i1b h LYS 93 CO 0.48 0.56 -0.52 0.21 -2.27 0.00 0.00 179.45 177.92 7i1b s LYS 94 N -6.00 3.24 0.07 1.90 2.20 -1.26 -0.14 119.74 119.75 7i1b s LYS 94 Ca -0.12 -0.64 -0.07 0.00 -0.36 0.00 0.00 55.97 54.78 7i1b s LYS 94 Cb 0.21 -2.88 -0.01 0.00 -1.51 0.00 0.00 37.83 33.64 7i1b s LYS 94 CO 0.79 0.54 0.14 -1.64 -0.36 0.00 0.00 175.35 174.82 7i1b s MET 95 N -2.92 0.74 0.39 4.03 -1.94 -1.26 -4.96 119.30 113.37 7i1b s MET 95 Ca 0.33 -0.92 -0.24 0.00 -1.71 0.00 0.00 55.69 53.16 7i1b s MET 95 Cb -0.11 0.29 -0.10 0.00 2.01 0.00 0.00 34.83 36.92 7i1b s MET 95 CO 0.26 -0.21 0.99 -2.00 -0.01 0.00 0.00 175.02 174.05 7i1b s GLU 96 N -3.45 4.29 0.54 2.03 2.12 -1.26 -4.81 118.70 118.16 7i1b s GLU 96 Ca 0.02 1.34 0.37 0.00 0.36 0.00 0.00 54.97 57.07 7i1b s GLU 96 Cb 0.03 -2.50 1.56 0.00 0.26 0.00 0.00 34.13 33.49 7i1b s GLU 96 CO -0.09 0.00 1.79 0.87 -0.54 0.00 0.00 175.26 177.30 7i1b h LYS 97 N 2.50 0.00 -0.79 4.30 1.79 -1.93 0.73 116.57 123.18 7i1b h LYS 97 Ca -0.48 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 57.99 7i1b h LYS 97 Cb 1.20 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.81 7i1b h LYS 97 CO 0.63 0.00 0.52 0.00 -1.08 0.00 0.00 179.45 179.51 7i1b h ARG 98 N 0.00 1.05 -0.01 3.15 3.08 -1.90 -2.28 114.38 117.48 7i1b h ARG 98 Ca 0.58 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.57 7i1b h ARG 98 Cb 2.35 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 32.16 7i1b h ARG 98 CO -0.01 0.70 -0.58 1.19 -1.07 0.00 0.00 179.97 180.21 7i1b n PHE 99 N -4.41 0.00 -3.23 3.04 3.72 0.24 -2.21 117.46 114.62 7i1b n PHE 99 Ca 0.09 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.10 7i1b n PHE 99 Cb 0.04 -0.05 -0.06 0.00 -0.94 0.00 0.00 39.48 38.47 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 -2.67 5.10 -0.11 -4.37 1.01 -0.36 -4.43 120.40 114.58 7i1b s VAL 100 Ca 0.16 1.03 0.03 0.00 0.00 0.00 0.00 61.98 63.20 7i1b s VAL 100 Cb 0.18 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.69 7i1b s VAL 100 CO 0.65 0.20 -0.22 -0.36 0.00 0.00 0.00 175.10 175.37 7i1b s PHE 101 N 1.41 2.48 -0.72 5.22 0.40 -0.77 -2.17 117.98 123.83 7i1b s PHE 101 Ca 0.26 -1.09 -0.27 0.00 -0.60 0.00 0.00 56.93 55.23 7i1b s PHE 101 Cb -0.16 -1.68 0.02 0.00 0.51 0.00 0.00 43.02 41.72 7i1b s PHE 101 CO 0.10 -0.47 1.39 -0.80 0.70 0.00 0.00 175.22 176.14 7i1b s ASN 102 N 0.54 6.00 -0.62 1.36 0.02 -0.27 -1.55 114.94 120.42 7i1b s ASN 102 Ca -0.15 -0.33 -0.27 0.00 -1.02 0.00 0.00 52.86 51.09 7i1b s ASN 102 Cb -0.17 -2.55 0.02 0.00 0.02 0.00 0.00 41.25 38.56 7i1b s ASN 102 CO 0.05 -1.93 1.40 -0.75 0.02 0.00 0.00 177.10 175.89 7i1b s LYS 103 N 5.96 3.22 0.24 -0.60 2.20 -0.87 -2.48 119.74 127.41 7i1b s LYS 103 Ca 0.41 0.24 0.04 0.00 -0.36 0.00 0.00 55.97 56.30 7i1b s LYS 103 Cb -0.09 -4.16 -0.03 0.00 -1.51 0.00 0.00 37.83 32.04 7i1b s LYS 103 CO 0.15 -2.06 0.37 0.42 -0.36 0.00 0.00 175.35 173.88 7i1b s ILE 104 N 6.18 5.25 -0.15 5.43 1.01 -1.03 -2.44 121.20 135.44 7i1b s ILE 104 Ca 0.48 -0.87 -0.00 0.00 0.00 0.00 0.00 60.65 60.25 7i1b s ILE 104 Cb -0.10 -3.84 0.03 0.00 0.01 0.00 0.00 42.46 38.56 7i1b s ILE 104 CO 0.22 -0.32 -0.08 -1.61 0.00 0.00 0.00 174.94 173.14 7i1b s GLU 105 N -3.91 1.67 -0.03 2.79 2.02 -1.26 -2.24 118.70 117.74 7i1b s GLU 105 Ca 0.35 -0.48 0.01 0.00 0.02 0.00 0.00 54.97 54.86 7i1b s GLU 105 Cb -0.09 -1.95 0.02 0.00 0.10 0.00 0.00 34.13 32.21 7i1b s GLU 105 CO 0.30 -0.35 -0.01 0.42 0.02 0.00 0.00 175.26 175.64 7i1b s ILE 106 N 1.60 0.23 -1.53 -1.63 1.01 0.40 -4.83 121.20 116.45 7i1b s ILE 106 Ca 0.02 0.04 -0.09 0.00 0.00 0.00 0.00 60.65 60.62 7i1b s ILE 106 Cb -0.14 -0.31 0.07 0.00 0.01 0.00 0.00 42.46 42.09 7i1b s ILE 106 CO -0.08 0.15 0.69 0.59 0.00 0.00 0.00 174.94 176.28 7i1b n ASN 107 N 4.03 -2.34 -1.74 3.58 4.13 -1.26 0.67 115.26 122.33 7i1b n ASN 107 Ca -0.26 -0.95 -0.20 0.00 1.68 0.00 0.00 54.58 54.85 7i1b n ASN 107 Cb 0.51 -3.20 -0.07 0.00 -1.54 0.00 0.00 39.78 35.48 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 -2.85 -5.50 -4.46 6.41 4.13 -1.26 -4.97 115.26 106.77 7i1b n ASN 108 Ca -0.10 0.36 -0.23 0.00 1.68 0.00 0.00 54.58 56.28 7i1b n ASN 108 Cb 0.59 -4.69 -0.10 0.00 -1.54 0.00 0.00 39.78 34.03 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 -4.05 1.63 0.10 3.52 1.02 0.21 -4.99 119.74 117.19 7i1b s LYS 109 Ca 0.00 -1.80 0.08 0.00 0.02 0.00 0.00 55.97 54.27 7i1b s LYS 109 Cb 0.00 -1.48 -0.04 0.00 -0.52 0.00 0.00 37.83 35.79 7i1b s LYS 109 CO 0.00 0.17 -0.14 -0.51 -0.92 0.00 0.00 175.35 173.95 7i1b s LEU 110 N -3.49 2.84 -0.22 3.17 1.43 -0.80 -0.45 118.68 121.17 7i1b s LEU 110 Ca 0.29 -0.46 -0.05 0.00 -1.03 0.00 0.00 54.13 52.89 7i1b s LEU 110 Cb 0.00 -1.67 0.08 0.00 0.03 0.00 0.00 46.19 44.63 7i1b s LEU 110 CO 0.13 0.19 0.10 -1.61 0.23 0.00 0.00 176.35 175.40 7i1b s GLU 111 N -2.07 0.12 -0.33 1.70 2.02 -0.95 -1.16 118.70 118.03 7i1b s GLU 111 Ca 0.19 -0.26 -0.24 0.00 0.02 0.00 0.00 54.97 54.67 7i1b s GLU 111 Cb -0.11 -1.58 0.01 0.00 0.10 0.00 0.00 34.13 32.55 7i1b s GLU 111 CO 0.11 -0.81 0.84 -0.06 0.02 0.00 0.00 175.26 175.37 7i1b s PHE 112 N 2.12 3.16 -0.13 1.61 0.40 -1.26 -2.46 117.98 121.41 7i1b s PHE 112 Ca 0.05 0.79 -0.05 0.00 -0.60 0.00 0.00 56.93 57.11 7i1b s PHE 112 Cb -0.16 -3.38 -0.04 0.00 0.51 0.00 0.00 43.02 39.95 7i1b s PHE 112 CO -0.20 -0.67 0.06 -2.00 0.70 0.00 0.00 175.22 173.12 7i1b s GLU 113 N 3.15 3.44 -0.44 0.44 2.12 -1.03 -2.29 118.70 124.09 7i1b s GLU 113 Ca 0.34 -0.30 -0.27 0.00 0.36 0.00 0.00 54.97 55.10 7i1b s GLU 113 Cb -0.13 -3.05 -0.03 0.00 0.26 0.00 0.00 34.13 31.18 7i1b s GLU 113 CO 0.15 0.59 1.90 0.45 -0.54 0.00 0.00 175.26 177.82 7i1b s SER 114 N -0.54 5.49 0.63 -1.70 0.15 -0.25 -1.12 113.70 116.37 7i1b s SER 114 Ca 0.11 0.96 0.16 0.00 0.70 0.00 0.00 55.95 57.88 7i1b s SER 114 Cb -0.12 -2.52 0.87 0.00 -1.71 0.00 0.00 66.02 62.54 7i1b s SER 114 CO 0.02 -2.08 1.47 0.00 1.20 0.00 0.00 173.24 173.85 7i1b h ALA 115 N 14.44 1.60 0.00 5.45 0.00 -1.61 -0.01 119.26 139.12 7i1b h ALA 115 Ca -0.30 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 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 1.11 -0.60 -0.02 0.37 0.00 0.00 0.00 179.25 180.11 7i1b h GLN 116 N 0.00 0.00 -4.26 0.00 4.15 -1.80 -3.43 115.11 109.78 7i1b h GLN 116 Ca 0.00 0.00 -0.71 0.00 0.77 0.00 0.00 58.65 58.71 7i1b h GLN 116 Cb 1.22 0.00 -0.32 0.00 0.21 0.00 0.00 27.48 28.59 7i1b h GLN 116 CO 0.00 0.16 -0.43 -0.06 -1.93 0.00 0.00 178.83 176.57 7i1b s PHE 117 N -1.67 3.50 0.72 3.99 0.08 -0.02 -5.09 117.98 119.49 7i1b s PHE 117 Ca -0.03 -2.19 -0.15 0.00 0.12 0.00 0.00 56.93 54.67 7i1b s PHE 117 Cb -0.00 -3.37 0.03 0.00 -0.57 0.00 0.00 43.02 39.10 7i1b s PHE 117 CO 0.12 -0.97 1.22 -2.14 -0.10 0.00 0.00 175.22 173.35 7i1b s PRO 118 N 1.06 2.19 0.00 0.24 0.02 -1.22 -2.41 135.00 134.88 7i1b s PRO 118 Ca 0.09 1.81 0.00 0.00 0.02 0.00 0.00 61.00 62.92 7i1b s PRO 118 Cb -0.24 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.45 7i1b s PRO 118 CO -0.03 -1.81 0.00 0.09 -0.33 0.00 0.00 177.00 174.93 7i1b n ASN 119 N -2.59 0.00 -4.53 2.53 3.02 -1.26 -4.98 115.26 107.45 7i1b n ASN 119 Ca 0.14 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.32 7i1b n ASN 119 Cb 0.50 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.55 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 -2.44 3.16 0.50 3.10 0.52 -1.01 -4.61 118.94 118.17 7i1b s TRP 120 Ca 0.00 -0.12 0.02 0.00 0.02 0.00 0.00 56.10 56.02 7i1b s TRP 120 Cb 0.00 -2.31 -0.02 0.00 -1.15 0.00 0.00 33.47 29.99 7i1b s TRP 120 CO 0.00 -0.24 0.02 0.71 0.02 0.00 0.00 176.95 177.45 7i1b s TYR 121 N 1.67 1.94 -0.19 -1.98 1.51 -0.98 -1.09 117.35 118.23 7i1b s TYR 121 Ca 0.07 -0.92 -0.22 0.00 -1.01 0.00 0.00 57.07 54.99 7i1b s TYR 121 Cb -0.16 -1.64 -0.02 0.00 -0.11 0.00 0.00 41.96 40.03 7i1b s TYR 121 CO 0.08 0.24 0.71 0.42 -1.11 0.00 0.00 175.55 175.88 7i1b s ILE 122 N -2.85 4.96 0.19 2.71 1.01 -0.97 -1.96 121.20 124.30 7i1b s ILE 122 Ca 0.10 1.35 0.04 0.00 0.00 0.00 0.00 60.65 62.15 7i1b s ILE 122 Cb 0.02 -4.02 -0.05 0.00 0.01 0.00 0.00 42.46 38.43 7i1b s ILE 122 CO 0.05 0.07 -0.05 -0.44 0.00 0.00 0.00 174.94 174.57 7i1b s SER 123 N 1.20 1.83 0.16 3.58 0.01 -0.71 -4.52 113.70 115.25 7i1b s SER 123 Ca 0.32 -1.12 0.06 0.00 1.31 0.00 0.00 55.95 56.52 7i1b s SER 123 Cb -0.16 -0.00 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 7i1b s SER 123 CO 0.11 -0.42 -0.13 0.42 0.41 0.00 0.00 173.24 173.63 7i1b s THR 124 N -3.37 1.42 -0.22 1.44 -4.23 -0.88 -2.65 115.64 107.16 7i1b s THR 124 Ca 0.23 -2.05 -0.15 0.00 -1.18 0.00 0.00 61.69 58.55 7i1b s THR 124 Cb 0.04 -1.86 -0.04 0.00 1.34 0.00 0.00 72.50 71.99 7i1b s THR 124 CO 0.05 -0.62 0.36 -0.55 -0.54 0.00 0.00 174.62 173.32 7i1b s SER 125 N -3.07 6.37 0.55 3.99 0.15 -1.26 -2.69 113.70 117.74 7i1b s SER 125 Ca 0.17 0.43 0.34 0.00 0.70 0.00 0.00 55.95 57.60 7i1b s SER 125 Cb -0.00 -2.21 1.51 0.00 -1.71 0.00 0.00 66.02 63.60 7i1b s SER 125 CO 0.03 -0.07 1.81 -0.61 1.20 0.00 0.00 173.24 175.61 7i1b h GLN 126 N 7.49 0.00 -6.57 5.44 5.75 -1.95 -3.41 115.11 121.86 7i1b h GLN 126 Ca -0.36 0.00 -0.50 0.00 -0.15 0.00 0.00 58.65 57.64 7i1b h GLN 126 Cb 1.16 0.00 0.23 0.00 1.07 0.00 0.00 27.48 29.94 7i1b h GLN 126 CO 0.70 0.00 -1.12 0.00 -2.65 0.00 0.00 178.83 175.76 7i1b n ALA 127 N -2.69 -3.83 -2.38 3.38 0.00 -1.26 -4.95 120.51 108.78 7i1b n ALA 127 Ca 0.22 -0.93 -0.32 0.00 0.00 0.00 0.00 53.44 52.41 7i1b n ALA 127 Cb 1.13 -1.52 -0.05 0.00 0.00 0.00 0.00 19.45 19.01 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 -3.21 3.82 -0.58 0.00 2.02 -1.26 -4.53 118.70 114.95 7i1b s GLU 128 Ca 0.52 0.31 -0.19 0.00 0.02 0.00 0.00 54.97 55.64 7i1b s GLU 128 Cb -0.14 -2.62 0.03 0.00 0.10 0.00 0.00 34.13 31.50 7i1b s GLU 128 CO 0.69 0.29 0.64 0.09 0.02 0.00 0.00 175.26 176.99 7i1b n ASN 129 N -0.21 -6.27 -3.73 -0.19 3.02 -1.26 -5.01 115.26 101.60 7i1b n ASN 129 Ca 0.01 -0.18 -0.16 0.00 -0.03 0.00 0.00 54.58 54.22 7i1b n ASN 129 Cb 0.53 -3.09 -0.16 0.00 -0.61 0.00 0.00 39.78 36.45 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 -3.17 0.00 0.39 3.52 1.75 -1.26 -5.05 119.30 115.48 7i1b s MET 130 Ca 0.20 0.33 -0.27 0.00 -1.25 0.00 0.00 55.69 54.70 7i1b s MET 130 Cb -0.03 -0.28 -0.10 0.00 2.84 0.00 0.00 34.83 37.26 7i1b s MET 130 CO 0.84 -0.22 1.41 -1.25 -0.65 0.00 0.00 175.02 175.15 7i1b s PRO 131 N 1.46 4.04 0.84 4.11 0.04 -1.26 -2.83 135.00 141.40 7i1b s PRO 131 Ca -0.05 2.39 -0.10 0.00 0.04 0.00 0.00 61.00 63.28 7i1b s PRO 131 Cb -0.12 -2.88 0.10 0.00 0.04 0.00 0.00 34.50 31.64 7i1b s PRO 131 CO -0.04 -0.52 1.11 0.08 0.04 0.00 0.00 177.00 177.66 7i1b s VAL 132 N -1.17 2.78 0.29 -0.36 1.01 -0.94 -4.79 120.40 117.22 7i1b s VAL 132 Ca 0.55 0.25 -0.19 0.00 0.00 0.00 0.00 61.98 62.59 7i1b s VAL 132 Cb -0.43 -2.55 0.06 0.00 0.00 0.00 0.00 36.38 33.46 7i1b s VAL 132 CO 0.57 -0.33 0.89 0.72 0.00 0.00 0.00 175.10 176.95 7i1b s PHE 133 N -2.80 0.06 -0.22 5.22 -0.71 -1.08 -4.86 117.98 113.59 7i1b s PHE 133 Ca 0.64 -0.60 -0.10 0.00 -1.04 0.00 0.00 56.93 55.83 7i1b s PHE 133 Cb -0.19 0.77 -0.05 0.00 -1.21 0.00 0.00 43.02 42.33 7i1b s PHE 133 CO 0.57 -1.26 0.14 -1.17 -1.34 0.00 0.00 175.22 172.16 7i1b s LEU 134 N -3.17 4.17 0.08 -1.99 2.96 -1.26 -1.74 118.68 117.73 7i1b s LEU 134 Ca 0.17 0.18 0.04 0.00 -0.22 0.00 0.00 54.13 54.30 7i1b s LEU 134 Cb -0.04 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 7i1b s LEU 134 CO 0.08 0.14 -0.11 -0.83 -1.32 0.00 0.00 176.35 174.31 7i1b s GLY 135 N 0.63 0.79 -0.80 7.98 0.00 -0.83 -4.59 107.32 110.50 7i1b s GLY 135 Ca 0.08 -1.05 -0.00 0.00 0.00 0.00 0.00 44.72 43.74 7i1b s GLY 135 CO 0.00 -1.11 1.78 0.61 0.00 0.00 0.00 173.10 174.39 7i1b n GLY 136 N 0.94 5.73 2.86 0.20 0.00 -1.26 -2.33 105.19 111.33 7i1b n GLY 136 Ca -0.19 -2.56 -0.25 0.00 0.00 0.00 0.00 46.02 43.02 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 -4.98 0.78 -0.43 2.61 2.01 -1.26 -5.02 115.64 109.36 7i1b s THR 137 Ca 0.49 -0.14 -0.20 0.00 0.31 0.00 0.00 61.69 62.15 7i1b s THR 137 Cb 0.38 -0.84 0.02 0.00 0.01 0.00 0.00 72.50 72.06 7i1b s THR 137 CO -0.31 0.32 0.60 -0.54 -0.69 0.00 0.00 174.62 174.00 7i1b s LYS 138 N 1.75 3.29 7.96 4.92 3.01 -1.26 -4.75 119.74 134.66 7i1b s LYS 138 Ca 0.04 -0.41 0.00 0.00 -1.01 0.00 0.00 55.97 54.59 7i1b s LYS 138 Cb -0.13 -3.94 0.00 0.00 -1.01 0.00 0.00 37.83 32.76 7i1b s LYS 138 CO -0.07 -0.94 0.00 0.41 0.51 0.00 0.00 175.35 175.26 7i1b n GLY 139 N 5.02 3.42 7.00 -3.33 0.00 -1.26 -4.90 105.19 111.14 7i1b n GLY 139 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 3.68 0.01 -0.02 0.00 -1.26 -1.67 105.19 105.92 7i1b n GLY 140 Ca 0.00 0.22 0.09 0.00 0.00 0.00 0.00 46.02 46.33 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 12.92 0.77 -3.36 1.61 0.00 -1.26 -4.95 117.38 123.11 7i1b n GLN 141 Ca 0.00 -0.12 -0.38 0.00 -0.00 0.00 0.00 57.00 56.50 7i1b n GLN 141 Cb 0.00 -1.38 -0.06 0.00 0.00 0.00 0.00 30.24 28.80 7i1b n GLN 141 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 7i1b s ASP 142 N -3.61 6.91 -0.63 1.69 1.11 -0.67 -4.66 116.67 116.80 7i1b s ASP 142 Ca -0.03 1.08 -0.23 0.00 0.18 0.00 0.00 52.55 53.55 7i1b s ASP 142 Cb 0.12 -2.31 0.06 0.00 1.07 0.00 0.00 42.92 41.86 7i1b s ASP 142 CO 0.71 0.25 0.95 -0.63 1.18 0.00 0.00 175.17 177.63 7i1b s ILE 143 N -0.80 4.34 -0.13 0.77 1.01 -1.10 -4.05 121.20 121.25 7i1b s ILE 143 Ca 0.27 -0.19 0.18 0.00 0.00 0.00 0.00 60.65 60.90 7i1b s ILE 143 Cb -0.18 -4.64 -0.20 0.00 0.01 0.00 0.00 42.46 37.45 7i1b s ILE 143 CO 0.16 -1.36 0.59 0.35 0.00 0.00 0.00 174.94 174.67 7i1b n THR 144 N 5.99 0.98 -1.36 2.92 -2.24 -1.26 -2.07 114.28 117.24 7i1b n THR 144 Ca -0.02 -0.69 -0.30 0.00 -2.27 0.00 0.00 64.05 60.77 7i1b n THR 144 Cb 0.46 -0.52 0.12 0.00 -2.10 0.00 0.00 70.33 68.29 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 3.80 0.27 3.42 1.47 -1.26 -4.63 116.67 114.29 7i1b s ASP 145 Ca -0.05 1.36 -0.07 0.00 1.18 0.00 0.00 52.55 54.97 7i1b s ASP 145 Cb 0.09 -2.05 0.03 0.00 -0.34 0.00 0.00 42.92 40.65 7i1b s ASP 145 CO 0.83 -2.42 0.48 0.49 0.68 0.00 0.00 175.17 175.24 7i1b n PHE 146 N -3.73 -1.66 -3.58 2.11 3.72 -0.31 -4.36 117.46 109.65 7i1b n PHE 146 Ca 0.07 -1.45 -0.11 0.00 -0.05 0.00 0.00 57.45 55.91 7i1b n PHE 146 Cb 0.56 0.55 -0.10 0.00 -0.94 0.00 0.00 39.48 39.55 7i1b n PHE 146 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 7i1b s THR 147 N -2.50 -0.55 0.23 4.37 -4.23 0.33 -1.90 115.64 111.39 7i1b s THR 147 Ca 0.15 0.13 -0.02 0.00 -1.18 0.00 0.00 61.69 60.76 7i1b s THR 147 Cb -0.02 -0.64 -0.05 0.00 1.34 0.00 0.00 72.50 73.13 7i1b s THR 147 CO 0.11 0.02 0.44 -0.32 -0.54 0.00 0.00 174.62 174.33 7i1b s MET 148 N 2.53 3.56 -0.18 3.99 1.75 -1.26 -1.33 119.30 128.35 7i1b s MET 148 Ca 0.03 -0.21 -0.01 0.00 -1.25 0.00 0.00 55.69 54.25 7i1b s MET 148 Cb -0.13 -2.78 0.05 0.00 2.84 0.00 0.00 34.83 34.81 7i1b s MET 148 CO -0.12 0.34 -0.03 -0.65 -0.65 0.00 0.00 175.02 173.91 7i1b s GLN 149 N -3.36 1.22 0.02 4.11 -0.21 -1.05 -4.98 119.66 115.40 7i1b s GLN 149 Ca 0.40 -0.54 -0.30 0.00 0.02 0.00 0.00 55.36 54.94 7i1b s GLN 149 Cb -0.11 -2.08 -0.07 0.00 1.00 0.00 0.00 33.01 31.75 7i1b s GLN 149 CO 0.29 -0.51 1.69 -0.06 -2.12 0.00 0.00 175.29 174.58 7i1b s PHE 150 N 1.67 2.11 0.15 0.91 0.40 -1.26 -2.57 117.98 119.39 7i1b s PHE 150 Ca -0.01 0.18 -0.03 0.00 -0.60 0.00 0.00 56.93 56.48 7i1b s PHE 150 Cb -0.16 -3.97 -0.05 0.00 0.51 0.00 0.00 43.02 39.34 7i1b s PHE 150 CO -0.07 -4.05 0.36 0.14 0.70 0.00 0.00 175.22 172.30 7i1b s VAL 151 N 3.42 5.21 0.00 -0.44 -7.23 -1.14 -5.00 120.40 115.21 7i1b s VAL 151 Ca 0.75 -0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.78 7i1b s VAL 151 Cb -0.37 -3.66 0.00 0.00 0.56 0.00 0.00 36.38 32.91 7i1b s VAL 151 CO 0.32 -0.01 0.00 -0.24 -0.31 0.00 0.00 175.10 174.86 7i1b n SER 152 N -0.10 0.00 0.00 4.85 2.88 -1.26 -4.83 113.62 115.15 7i1b n SER 152 Ca -0.03 -0.94 0.00 0.00 -1.33 0.00 0.00 58.87 56.57 7i1b n SER 152 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 7i1b n SER 152 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61