#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 0.59 -0.82 0.00 -0.04 -1.26 -4.72 135.00 128.75 7i1b n PRO 2 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 7i1b n PRO 2 Cb 0.00 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 7i1b n PRO 2 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 7i1b n VAL 3 N 1.50 0.00 -3.78 0.52 0.31 -1.26 -4.76 118.33 110.85 7i1b n VAL 3 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.15 7i1b n VAL 3 Cb 0.29 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 33.06 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 -0.23 0.12 0.83 5.55 0.52 -1.26 -5.10 118.95 119.37 7i1b s ARG 4 Ca 0.00 0.21 -0.10 0.00 -0.52 0.00 0.00 55.73 55.33 7i1b s ARG 4 Cb 0.00 -0.48 0.18 0.00 0.52 0.00 0.00 34.95 35.17 7i1b s ARG 4 CO 0.00 -0.23 1.13 0.43 0.02 0.00 0.00 175.30 176.65 7i1b n SER 5 N 4.65 0.56 -3.26 0.23 7.64 -1.26 -3.39 113.62 118.78 7i1b n SER 5 Ca -0.17 -1.70 0.02 0.00 1.01 0.00 0.00 58.87 58.03 7i1b n SER 5 Cb 0.50 -0.82 -0.02 0.00 -1.01 0.00 0.00 64.21 62.86 7i1b n SER 5 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 7i1b s LEU 6 N 0.00 -1.28 0.20 -3.43 2.96 0.69 -4.87 118.68 112.95 7i1b s LEU 6 Ca 0.67 0.96 -0.30 0.00 -0.22 0.00 0.00 54.13 55.25 7i1b s LEU 6 Cb -0.03 2.10 -0.08 0.00 0.50 0.00 0.00 46.19 48.69 7i1b s LEU 6 CO 0.46 -0.26 1.12 0.20 -1.32 0.00 0.00 176.35 176.56 7i1b s ASN 7 N 2.84 7.22 -0.22 3.68 0.01 -1.26 0.10 114.94 127.32 7i1b s ASN 7 Ca 0.15 2.16 -0.28 0.00 -0.71 0.00 0.00 52.86 54.18 7i1b s ASN 7 Cb -0.14 -2.61 0.14 0.00 0.41 0.00 0.00 41.25 39.05 7i1b s ASN 7 CO -0.20 -0.24 1.09 0.00 -1.51 0.00 0.00 177.10 176.24 7i1b s THR 9 N -0.67 5.19 -0.14 0.00 -4.23 -0.93 -1.47 115.64 113.39 7i1b s THR 9 Ca 0.02 -0.32 0.01 0.00 -1.18 0.00 0.00 61.69 60.22 7i1b s THR 9 Cb -0.02 -3.73 -0.01 0.00 1.34 0.00 0.00 72.50 70.08 7i1b s THR 9 CO -0.03 -0.19 -0.15 -0.76 -0.54 0.00 0.00 174.62 172.95 7i1b s LEU 10 N -3.34 2.54 0.02 4.79 1.43 -1.26 -2.18 118.68 120.68 7i1b s LEU 10 Ca 0.39 -0.41 0.07 0.00 -1.03 0.00 0.00 54.13 53.15 7i1b s LEU 10 Cb -0.11 -1.57 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 7i1b s LEU 10 CO 0.29 0.13 -0.22 -0.13 0.23 0.00 0.00 176.35 176.65 7i1b s ARG 11 N 0.53 1.63 0.93 1.70 0.52 -0.43 -3.45 118.95 120.37 7i1b s ARG 11 Ca -0.10 -0.90 -0.15 0.00 -0.52 0.00 0.00 55.73 54.06 7i1b s ARG 11 Cb -0.16 -1.68 0.18 0.00 0.52 0.00 0.00 34.95 33.81 7i1b s ARG 11 CO 0.04 0.44 1.29 0.16 0.02 0.00 0.00 175.30 177.25 7i1b s ASP 12 N -0.90 3.37 0.46 0.23 -4.77 -0.95 0.36 116.67 114.46 7i1b s ASP 12 Ca 0.09 0.32 0.31 0.00 -3.30 0.00 0.00 52.55 49.96 7i1b s ASP 12 Cb -0.09 -0.44 1.64 0.00 -1.09 0.00 0.00 42.92 42.94 7i1b s ASP 12 CO 0.01 -2.58 1.95 0.77 0.70 0.00 0.00 175.17 176.01 7i1b h SER 13 N -1.51 0.00 -0.07 2.11 4.64 -1.87 0.11 113.55 116.96 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 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 7i1b h SER 13 CO 0.42 0.00 0.00 1.67 -0.87 0.00 0.00 176.83 178.05 7i1b n GLN 14 N -2.60 1.69 -1.00 4.77 -0.06 -1.26 -4.89 117.38 114.03 7i1b n GLN 14 Ca -0.02 -1.01 0.00 0.00 -2.00 0.00 0.00 57.00 53.97 7i1b n GLN 14 Cb 0.08 -1.45 0.00 0.00 -4.06 0.00 0.00 30.24 24.81 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 0.23 -0.00 -1.07 3.69 7.27 0.39 -5.01 117.38 122.87 7i1b n GLN 15 Ca 0.18 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.97 7i1b n GLN 15 Cb 0.34 -2.70 0.19 0.00 2.41 0.00 0.00 30.24 30.48 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 -0.01 0.15 0.23 3.69 1.02 -1.26 -4.74 119.74 118.83 7i1b s LYS 16 Ca 0.00 0.54 0.08 0.00 0.02 0.00 0.00 55.97 56.62 7i1b s LYS 16 Cb 0.00 -1.70 -0.05 0.00 -0.52 0.00 0.00 37.83 35.56 7i1b s LYS 16 CO 0.00 -2.93 -0.14 -1.12 -0.92 0.00 0.00 175.35 170.24 7i1b s SER 17 N -3.31 2.79 -0.05 2.83 0.01 -0.91 -2.24 113.70 112.82 7i1b s SER 17 Ca 0.66 -1.05 -0.13 0.00 1.31 0.00 0.00 55.95 56.74 7i1b s SER 17 Cb -0.20 -0.17 -0.05 0.00 0.21 0.00 0.00 66.02 65.81 7i1b s SER 17 CO 0.59 -0.16 0.33 -0.76 0.41 0.00 0.00 173.24 173.64 7i1b s LEU 18 N -3.37 4.43 0.02 2.44 1.43 -1.22 -2.53 118.68 119.87 7i1b s LEU 18 Ca 0.25 0.79 0.04 0.00 -1.03 0.00 0.00 54.13 54.19 7i1b s LEU 18 Cb -0.01 -2.43 -0.02 0.00 0.03 0.00 0.00 46.19 43.76 7i1b s LEU 18 CO 0.09 0.33 -0.13 0.68 0.23 0.00 0.00 176.35 177.54 7i1b s VAL 19 N -0.92 1.05 -1.05 -1.59 -7.23 0.12 -2.73 120.40 108.05 7i1b s VAL 19 Ca 0.21 -0.80 -0.21 0.00 -1.81 0.00 0.00 61.98 59.37 7i1b s VAL 19 Cb -0.15 -0.92 0.07 0.00 0.56 0.00 0.00 36.38 35.94 7i1b s VAL 19 CO 0.10 0.12 1.44 0.00 -0.31 0.00 0.00 175.10 176.45 7i1b s MET 20 N -0.78 3.66 0.00 4.82 0.23 -1.26 0.16 119.30 126.13 7i1b s MET 20 Ca 0.03 -1.39 0.00 0.00 -1.03 0.00 0.00 55.69 53.30 7i1b s MET 20 Cb -0.07 -5.31 0.00 0.00 -1.53 0.00 0.00 34.83 27.93 7i1b s MET 20 CO 0.00 -2.14 0.02 0.43 -2.03 0.00 0.00 175.02 171.31 7i1b n SER 21 N 8.36 0.00 -3.56 -1.18 7.64 -1.05 -4.92 113.62 118.92 7i1b n SER 21 Ca 0.34 0.02 -0.30 0.00 1.01 0.00 0.00 58.87 59.93 7i1b n SER 21 Cb 0.50 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 63.97 7i1b n SER 21 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 7i1b s GLY 22 N -0.10 1.47 0.05 0.23 0.00 -1.20 -4.90 107.32 102.87 7i1b s GLY 22 Ca 0.00 -0.86 -0.27 0.00 0.00 0.00 0.00 44.72 43.59 7i1b s GLY 22 CO 0.00 0.11 1.41 -2.55 0.00 0.00 0.00 173.10 172.08 7i1b h PRO 23 N -3.16 -0.87 -0.83 2.90 0.11 -2.03 -3.20 132.00 124.92 7i1b h PRO 23 Ca -0.44 0.06 -0.56 0.00 0.11 0.00 0.00 66.00 65.17 7i1b h PRO 23 Cb 1.32 0.20 -0.32 0.00 0.11 0.00 0.00 31.00 32.31 7i1b h PRO 23 CO 0.30 -0.58 0.12 0.66 -0.21 0.00 0.00 178.00 178.29 7i1b n TYR 24 N -4.68 2.78 -4.03 0.65 4.01 -1.26 -4.97 117.16 109.65 7i1b n TYR 24 Ca -0.11 -2.49 -0.09 0.00 -0.16 0.00 0.00 57.90 55.04 7i1b n TYR 24 Cb 0.37 -0.90 -0.11 0.00 -0.31 0.00 0.00 39.34 38.40 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 0.45 0.28 -0.72 0.41 -1.21 -4.13 118.70 110.14 7i1b s GLU 25 Ca 0.57 -0.81 0.07 0.00 -0.41 0.00 0.00 54.97 54.39 7i1b s GLU 25 Cb 0.46 0.03 -0.06 0.00 -1.78 0.00 0.00 34.13 32.78 7i1b s GLU 25 CO 0.02 -0.04 -0.08 -0.51 -0.49 0.00 0.00 175.26 174.15 7i1b s LEU 26 N -1.88 2.53 -0.04 1.80 1.43 -1.26 -2.53 118.68 118.74 7i1b s LEU 26 Ca -0.08 -1.16 -0.01 0.00 -1.03 0.00 0.00 54.13 51.84 7i1b s LEU 26 Cb -0.05 -0.72 0.03 0.00 0.03 0.00 0.00 46.19 45.47 7i1b s LEU 26 CO -0.03 -0.28 0.08 -0.54 0.23 0.00 0.00 176.35 175.81 7i1b s LYS 27 N -3.69 0.03 -0.23 1.70 1.02 0.12 -2.22 119.74 116.48 7i1b s LYS 27 Ca 0.29 0.22 -0.09 0.00 0.02 0.00 0.00 55.97 56.41 7i1b s LYS 27 Cb 0.03 -0.15 -0.04 0.00 -0.52 0.00 0.00 37.83 37.15 7i1b s LYS 27 CO 0.12 -0.12 0.12 0.00 -0.92 0.00 0.00 175.35 174.55 7i1b s ALA 28 N 0.81 3.43 0.39 5.17 0.00 -1.06 -0.71 121.76 129.78 7i1b s ALA 28 Ca -0.06 -0.94 -0.10 0.00 0.00 0.00 0.00 51.96 50.85 7i1b s ALA 28 Cb -0.09 -2.18 0.04 0.00 0.00 0.00 0.00 23.12 20.89 7i1b s ALA 28 CO -0.03 -0.23 0.69 -0.48 0.00 0.00 0.00 175.76 175.71 7i1b s LEU 29 N 1.13 0.41 -1.14 0.00 0.05 -1.05 -3.78 118.68 114.30 7i1b s LEU 29 Ca 0.06 -1.34 -0.21 0.00 0.05 0.00 0.00 54.13 52.69 7i1b s LEU 29 Cb -0.14 2.38 0.06 0.00 -2.05 0.00 0.00 46.19 46.44 7i1b s LEU 29 CO 0.04 -1.60 1.58 -1.00 -0.55 0.00 0.00 176.35 174.83 7i1b s HIS 30 N -2.37 2.63 -0.14 3.48 3.76 -1.26 -2.15 115.29 119.25 7i1b s HIS 30 Ca 0.21 -1.16 -0.29 0.00 -0.15 0.00 0.00 55.06 53.67 7i1b s HIS 30 Cb -0.04 -4.72 -0.02 0.00 1.11 0.00 0.00 32.58 28.92 7i1b s HIS 30 CO 0.16 -1.88 1.19 -1.17 -0.85 0.00 0.00 174.74 172.19 7i1b s LEU 31 N 4.73 4.20 -0.12 0.89 2.96 -1.26 -4.99 118.68 125.09 7i1b s LEU 31 Ca 0.50 1.67 -0.29 0.00 -0.22 0.00 0.00 54.13 55.78 7i1b s LEU 31 Cb 0.02 -3.55 0.08 0.00 0.50 0.00 0.00 46.19 43.24 7i1b s LEU 31 CO -0.02 -0.67 0.72 -1.58 -1.32 0.00 0.00 176.35 173.48 7i1b s GLN 32 N 2.95 0.96 0.56 1.98 2.00 -1.26 -4.90 119.66 121.94 7i1b s GLN 32 Ca 0.53 0.45 0.00 0.00 -2.00 0.00 0.00 55.36 54.34 7i1b s GLN 32 Cb -0.21 0.45 0.00 0.00 0.80 0.00 0.00 33.01 34.05 7i1b s GLN 32 CO 0.16 -0.25 0.00 0.41 -0.50 0.00 0.00 175.29 175.10 7i1b n GLY 33 N 1.39 -1.80 0.38 2.59 0.00 -1.26 -4.23 105.19 102.26 7i1b n GLY 33 Ca -0.17 -1.81 0.15 0.00 0.00 0.00 0.00 46.02 44.19 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 0.46 0.00 1.61 3.07 -2.04 0.47 115.11 118.68 7i1b h GLN 34 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.71 7i1b h GLN 34 Cb 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 27.46 7i1b h GLN 34 CO 0.00 0.31 0.00 -3.47 0.09 0.00 0.00 178.83 175.76 7i1b n ASP 35 N -4.50 0.00 0.07 0.06 2.03 -1.26 -2.80 116.55 110.15 7i1b n ASP 35 Ca 0.16 -0.20 0.18 0.00 0.52 0.00 0.00 54.79 55.45 7i1b n ASP 35 Cb 0.54 -0.02 0.69 0.00 -0.72 0.00 0.00 41.12 41.61 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 0.00 0.00 -0.67 1.85 -0.26 0.77 114.93 116.62 7i1b h MET 36 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 7i1b h MET 36 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 7i1b h MET 36 CO 0.00 0.00 0.00 -1.91 -0.40 0.00 0.00 176.91 174.60 7i1b n GLU 37 N -4.34 0.06 -0.58 0.39 2.13 -1.12 -2.16 120.64 115.02 7i1b n GLU 37 Ca 0.07 0.26 -0.09 0.00 0.66 0.00 0.00 57.16 58.06 7i1b n GLU 37 Cb 0.49 -1.50 0.11 0.00 0.27 0.00 0.00 31.44 30.81 7i1b n GLU 37 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 7i1b n GLN 38 N -1.32 1.92 -3.07 5.31 6.02 0.26 -4.82 117.38 121.68 7i1b n GLN 38 Ca 0.02 -1.53 -0.43 0.00 -0.01 0.00 0.00 57.00 55.06 7i1b n GLN 38 Cb 0.04 -1.66 -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 -1.71 3.37 0.81 -1.09 0.74 -0.92 -4.46 119.66 116.41 7i1b s GLN 39 Ca 0.28 -0.24 -0.12 0.00 0.05 0.00 0.00 55.36 55.34 7i1b s GLN 39 Cb 0.23 -3.93 0.08 0.00 1.10 0.00 0.00 33.01 30.50 7i1b s GLN 39 CO 0.06 -1.00 1.12 0.08 -0.55 0.00 0.00 175.29 175.00 7i1b s VAL 40 N 2.93 2.73 -0.01 1.34 1.01 -1.10 -5.06 120.40 122.23 7i1b s VAL 40 Ca 0.25 0.24 -0.00 0.00 0.00 0.00 0.00 61.98 62.46 7i1b s VAL 40 Cb -0.14 -3.05 0.02 0.00 0.00 0.00 0.00 36.38 33.21 7i1b s VAL 40 CO 0.19 -0.31 0.02 -0.69 0.00 0.00 0.00 175.10 174.32 7i1b s VAL 41 N -3.27 -0.04 0.23 2.92 1.01 -1.26 -4.71 120.40 115.27 7i1b s VAL 41 Ca 0.61 0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.81 7i1b s VAL 41 Cb -0.14 -0.06 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 7i1b s VAL 41 CO 0.53 0.06 0.18 -0.36 0.00 0.00 0.00 175.10 175.51 7i1b s PHE 42 N 0.75 3.11 -0.63 5.22 0.40 -0.54 -2.50 117.98 123.78 7i1b s PHE 42 Ca -0.06 -0.09 -0.01 0.00 -0.60 0.00 0.00 56.93 56.17 7i1b s PHE 42 Cb -0.09 -1.42 0.16 0.00 0.51 0.00 0.00 43.02 42.18 7i1b s PHE 42 CO -0.02 0.52 0.43 0.45 0.70 0.00 0.00 175.22 177.31 7i1b s SER 43 N -3.67 5.06 0.49 1.36 0.15 0.33 -0.59 113.70 116.83 7i1b s SER 43 Ca 0.32 -3.04 -0.23 0.00 0.70 0.00 0.00 55.95 53.71 7i1b s SER 43 Cb -0.08 -1.80 -0.07 0.00 -1.71 0.00 0.00 66.02 62.36 7i1b s SER 43 CO 0.24 -0.30 1.26 -0.32 1.20 0.00 0.00 173.24 175.32 7i1b s MET 44 N -0.33 3.54 -0.05 5.44 1.75 0.29 -2.40 119.30 127.53 7i1b s MET 44 Ca 0.18 2.01 -0.01 0.00 -1.25 0.00 0.00 55.69 56.62 7i1b s MET 44 Cb -0.20 -2.39 0.03 0.00 2.84 0.00 0.00 34.83 35.11 7i1b s MET 44 CO -0.04 -0.80 0.03 -1.12 -0.65 0.00 0.00 175.02 172.44 7i1b s SER 45 N -1.12 1.25 -0.60 1.11 0.01 -0.51 0.25 113.70 114.08 7i1b s SER 45 Ca 0.66 -0.01 -0.27 0.00 1.31 0.00 0.00 55.95 57.64 7i1b s SER 45 Cb -0.34 -0.28 -0.00 0.00 0.21 0.00 0.00 66.02 65.60 7i1b s SER 45 CO 0.42 -0.21 1.66 -0.36 0.41 0.00 0.00 173.24 175.16 7i1b s PHE 46 N 1.93 1.91 0.24 2.43 0.08 -1.22 -1.34 117.98 122.01 7i1b s PHE 46 Ca 0.03 0.56 0.03 0.00 0.12 0.00 0.00 56.93 57.67 7i1b s PHE 46 Cb -0.12 -4.25 0.04 0.00 -0.57 0.00 0.00 43.02 38.12 7i1b s PHE 46 CO -0.04 -2.25 0.33 1.33 -0.10 0.00 0.00 175.22 174.49 7i1b n VAL 47 N 7.01 0.00 -4.04 -0.44 0.24 -0.95 -4.67 118.33 115.47 7i1b n VAL 47 Ca 0.16 -0.70 -0.30 0.00 -2.04 0.00 0.00 64.34 61.46 7i1b n VAL 47 Cb 0.51 -0.93 -0.06 0.00 -1.47 0.00 0.00 33.84 31.89 7i1b n VAL 47 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 7i1b s GLN 48 N -3.13 2.92 0.00 7.34 -0.21 0.23 -4.72 119.66 122.09 7i1b s GLN 48 Ca 0.24 -0.68 0.00 0.00 0.02 0.00 0.00 55.36 54.93 7i1b s GLN 48 Cb -0.02 -2.74 0.00 0.00 1.00 0.00 0.00 33.01 31.25 7i1b s GLN 48 CO 0.15 0.56 0.00 0.41 -2.12 0.00 0.00 175.29 174.30 7i1b n GLY 49 N 0.40 -1.25 3.50 3.09 0.00 -1.26 -4.56 105.19 105.11 7i1b n GLY 49 Ca -0.08 -1.09 -0.14 0.00 0.00 0.00 0.00 46.02 44.71 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 0.29 -2.44 1.61 1.02 -1.26 -4.87 120.64 114.99 7i1b n GLU 50 Ca 0.00 -0.72 -0.27 0.00 -0.02 0.00 0.00 57.16 56.14 7i1b n GLU 50 Cb 0.00 -2.85 0.02 0.00 -0.02 0.00 0.00 31.44 28.59 7i1b n GLU 50 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 7i1b s GLU 51 N 8.05 3.24 0.00 3.49 -1.05 -1.26 -4.74 118.70 126.43 7i1b s GLU 51 Ca 0.92 0.16 0.00 0.00 -0.15 0.00 0.00 54.97 55.91 7i1b s GLU 51 Cb -0.28 -2.29 0.00 0.00 -0.44 0.00 0.00 34.13 31.12 7i1b s GLU 51 CO 0.21 -0.49 0.00 0.45 0.95 0.00 0.00 175.26 176.39 7i1b n SER 52 N -2.47 3.40 -0.06 0.83 2.88 -1.13 -5.00 113.62 112.07 7i1b n SER 52 Ca 0.03 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.35 7i1b n SER 52 Cb 0.56 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.90 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 1.96 -0.00 -3.46 4.13 -1.26 -4.63 115.26 112.00 7i1b n ASN 53 Ca 0.00 0.34 0.02 0.00 1.68 0.00 0.00 54.58 56.63 7i1b n ASN 53 Cb 0.00 -0.93 -0.04 0.00 -1.54 0.00 0.00 39.78 37.27 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 -4.08 3.76 -4.57 6.41 9.92 -1.26 -4.93 116.55 121.80 7i1b n ASP 54 Ca -0.33 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 53.52 7i1b n ASP 54 Cb 0.82 1.20 -0.03 0.00 -0.64 0.00 0.00 41.12 42.48 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 -2.36 3.19 -0.48 -1.24 1.02 -1.26 -4.11 119.74 114.50 7i1b s LYS 55 Ca -0.02 0.37 -0.03 0.00 0.02 0.00 0.00 55.97 56.31 7i1b s LYS 55 Cb 0.03 -4.17 0.13 0.00 -0.52 0.00 0.00 37.83 33.30 7i1b s LYS 55 CO 0.22 -2.09 0.29 0.42 -0.92 0.00 0.00 175.35 173.27 7i1b s ILE 56 N 6.45 3.46 0.08 2.17 -1.09 -0.98 -2.84 121.20 128.45 7i1b s ILE 56 Ca 0.52 -2.35 -0.31 0.00 -2.23 0.00 0.00 60.65 56.28 7i1b s ILE 56 Cb -0.11 -3.33 -0.09 0.00 -1.58 0.00 0.00 42.46 37.35 7i1b s ILE 56 CO 0.23 -0.76 1.80 -2.84 -1.23 0.00 0.00 174.94 172.14 7i1b s PRO 57 N 0.74 4.16 0.02 2.79 0.02 -1.26 -2.28 135.00 139.19 7i1b s PRO 57 Ca 0.11 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.64 7i1b s PRO 57 Cb -0.22 -3.76 -0.00 0.00 0.02 0.00 0.00 34.50 30.54 7i1b s PRO 57 CO -0.04 -0.84 0.01 1.33 -0.33 0.00 0.00 177.00 177.13 7i1b n VAL 58 N 4.99 0.00 -3.69 3.83 0.24 -0.98 -2.24 118.33 120.48 7i1b n VAL 58 Ca 0.18 -0.14 -0.15 0.00 -2.04 0.00 0.00 64.34 62.19 7i1b n VAL 58 Cb 0.40 0.06 -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 -2.07 -0.33 -0.36 2.33 0.00 -0.45 -1.85 121.76 119.04 7i1b s ALA 59 Ca 0.02 0.73 -0.21 0.00 0.00 0.00 0.00 51.96 52.50 7i1b s ALA 59 Cb 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.35 7i1b s ALA 59 CO 0.01 -0.45 0.66 -0.51 0.00 0.00 0.00 175.76 175.46 7i1b s LEU 60 N 1.96 4.24 -0.14 0.00 1.43 -1.26 -1.42 118.68 123.48 7i1b s LEU 60 Ca -0.01 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 7i1b s LEU 60 Cb -0.12 -2.82 0.02 0.00 0.03 0.00 0.00 46.19 43.31 7i1b s LEU 60 CO -0.07 -0.61 -0.14 -0.83 0.23 0.00 0.00 176.35 174.93 7i1b s GLY 61 N 1.79 1.11 -0.04 -3.19 0.00 -1.01 -2.50 107.32 103.49 7i1b s GLY 61 Ca 0.25 -0.88 -0.36 0.00 0.00 0.00 0.00 44.72 43.73 7i1b s GLY 61 CO 0.15 0.52 1.71 1.04 0.00 0.00 0.00 173.10 176.51 7i1b n LEU 62 N 4.74 2.92 -0.29 0.66 4.77 -1.03 0.12 117.00 128.89 7i1b n LEU 62 Ca -0.17 1.04 -0.05 0.00 -0.03 0.00 0.00 56.01 56.80 7i1b n LEU 62 Cb 0.50 -1.32 0.07 0.00 -2.33 0.00 0.00 43.42 40.34 7i1b n LEU 62 CO 0.22 -0.32 1.11 0.50 -1.33 0.00 0.00 177.39 177.56 7i1b h LYS 63 N 7.36 1.13 0.52 3.23 3.64 -1.77 -3.11 116.57 127.57 7i1b h LYS 63 Ca -0.47 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 58.73 7i1b h LYS 63 Cb 1.28 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 7i1b h LYS 63 CO 0.91 0.86 -0.27 0.93 -2.27 0.00 0.00 179.45 179.62 7i1b h GLU 64 N 1.11 -0.70 -6.21 1.90 4.39 -1.88 -3.44 114.58 109.75 7i1b h GLU 64 Ca 0.27 0.05 -0.59 0.00 0.34 0.00 0.00 59.36 59.44 7i1b h GLU 64 Cb 0.09 0.16 -0.17 0.00 -0.10 0.00 0.00 28.75 28.73 7i1b h GLU 64 CO -0.04 -0.46 -0.78 0.15 -1.16 0.00 0.00 179.01 176.71 7i1b s LYS 65 N -6.08 1.48 0.00 2.33 1.02 -1.17 -5.01 119.74 112.31 7i1b s LYS 65 Ca -0.17 -1.58 -0.02 0.00 0.02 0.00 0.00 55.97 54.23 7i1b s LYS 65 Cb 0.04 -1.61 -0.07 0.00 -0.52 0.00 0.00 37.83 35.67 7i1b s LYS 65 CO 0.63 0.32 2.10 0.27 -0.92 0.00 0.00 175.35 177.75 7i1b n ASN 66 N -0.06 4.32 -4.46 2.83 0.23 -1.26 -3.87 115.26 112.99 7i1b n ASN 66 Ca -0.10 -2.20 -0.44 0.00 -0.53 0.00 0.00 54.58 51.32 7i1b n ASN 66 Cb 0.58 -1.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.21 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 0.00 4.91 -0.13 -4.53 1.43 -1.26 -2.59 118.68 116.51 7i1b s LEU 67 Ca 0.18 -0.82 -0.15 0.00 -1.03 0.00 0.00 54.13 52.32 7i1b s LEU 67 Cb 0.09 -2.47 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 7i1b s LEU 67 CO 0.00 -0.83 0.34 -0.31 0.23 0.00 0.00 176.35 175.78 7i1b s TYR 68 N 2.55 3.51 0.64 0.29 1.51 -0.72 -2.48 117.35 122.66 7i1b s TYR 68 Ca 0.15 0.71 -0.18 0.00 -1.01 0.00 0.00 57.07 56.74 7i1b s TYR 68 Cb -0.18 -2.36 -0.02 0.00 -0.11 0.00 0.00 41.96 39.29 7i1b s TYR 68 CO 0.13 0.30 1.24 1.28 -1.11 0.00 0.00 175.55 177.38 7i1b n LEU 69 N 3.30 5.65 -3.69 -1.29 4.32 -1.04 -1.89 117.00 122.36 7i1b n LEU 69 Ca -0.11 0.82 -0.12 0.00 -0.02 0.00 0.00 56.01 56.58 7i1b n LEU 69 Cb 0.52 -1.53 -0.09 0.00 -1.62 0.00 0.00 43.42 40.70 7i1b n LEU 69 CO 0.40 -1.15 0.20 -0.94 -1.22 0.00 0.00 177.39 174.68 7i1b s SER 70 N -1.36 -0.59 -0.33 -1.43 1.04 0.13 -4.35 113.70 106.81 7i1b s SER 70 Ca 0.82 1.09 -0.17 0.00 0.48 0.00 0.00 55.95 58.17 7i1b s SER 70 Cb -0.39 1.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.78 7i1b s SER 70 CO 0.41 -0.19 0.46 0.00 0.98 0.00 0.00 173.24 174.90 7i1b s VAL 72 N 2.25 1.55 0.17 0.00 -7.23 -0.88 -4.81 120.40 111.46 7i1b s VAL 72 Ca 0.17 -1.79 -0.29 0.00 -1.81 0.00 0.00 61.98 58.26 7i1b s VAL 72 Cb -0.16 -1.66 -0.07 0.00 0.56 0.00 0.00 36.38 35.05 7i1b s VAL 72 CO 0.12 -0.35 0.93 -0.76 -0.31 0.00 0.00 175.10 174.72 7i1b s LEU 73 N -2.50 4.57 -0.55 1.32 1.43 -1.26 -1.55 118.68 120.14 7i1b s LEU 73 Ca 0.11 1.84 0.04 0.00 -1.03 0.00 0.00 54.13 55.09 7i1b s LEU 73 Cb -0.06 -3.56 0.16 0.00 0.03 0.00 0.00 46.19 42.77 7i1b s LEU 73 CO 0.05 0.06 0.39 -0.54 0.23 0.00 0.00 176.35 176.54 7i1b s LYS 74 N -0.64 1.67 0.00 1.70 1.02 -0.42 -4.75 119.74 118.32 7i1b s LYS 74 Ca 0.43 -2.63 0.00 0.00 0.02 0.00 0.00 55.97 53.79 7i1b s LYS 74 Cb -0.24 -2.49 0.00 0.00 -0.52 0.00 0.00 37.83 34.58 7i1b s LYS 74 CO 0.30 -1.30 0.00 -0.25 -0.92 0.00 0.00 175.35 173.19 7i1b n ASP 75 N 2.60 -1.49 0.00 2.83 8.00 -1.26 -3.71 116.55 123.52 7i1b n ASP 75 Ca 0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.71 7i1b n ASP 75 Cb 0.39 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 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 0.54 -3.91 -4.11 -2.24 8.00 -1.26 -4.97 116.55 108.60 7i1b n ASP 76 Ca 0.00 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.17 7i1b n ASP 76 Cb 0.37 -1.88 -0.15 0.00 -0.02 0.00 0.00 41.12 39.44 7i1b n ASP 76 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 7i1b s LYS 77 N -0.92 2.44 0.52 -1.24 1.02 -1.24 -5.08 119.74 115.24 7i1b s LYS 77 Ca 0.00 -1.22 -0.21 0.00 0.02 0.00 0.00 55.97 54.56 7i1b s LYS 77 Cb 0.00 -2.91 -0.08 0.00 -0.52 0.00 0.00 37.83 34.32 7i1b s LYS 77 CO 0.00 -0.51 0.95 -2.30 -0.92 0.00 0.00 175.35 172.57 7i1b n PRO 78 N 4.52 1.09 -3.81 -1.68 -0.02 -1.26 -1.31 135.00 132.53 7i1b n PRO 78 Ca -0.15 0.41 -0.09 0.00 -2.02 0.00 0.00 63.50 61.64 7i1b n PRO 78 Cb 0.44 -2.08 -0.04 0.00 -0.02 0.00 0.00 33.50 31.80 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 -1.43 0.02 -0.12 3.45 2.01 -0.60 -4.76 115.64 114.22 7i1b s THR 79 Ca 0.69 -0.94 -0.09 0.00 0.31 0.00 0.00 61.69 61.66 7i1b s THR 79 Cb -0.48 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 7i1b s THR 79 CO 0.52 -0.10 0.18 -0.22 -0.69 0.00 0.00 174.62 174.31 7i1b s LEU 80 N -2.91 4.37 0.06 4.42 2.96 -1.26 -2.06 118.68 124.26 7i1b s LEU 80 Ca 0.12 0.50 -0.21 0.00 -0.22 0.00 0.00 54.13 54.33 7i1b s LEU 80 Cb -0.01 -2.16 0.05 0.00 0.50 0.00 0.00 46.19 44.57 7i1b s LEU 80 CO 0.00 0.35 0.48 -1.58 -1.32 0.00 0.00 176.35 174.29 7i1b s GLN 81 N -0.76 1.02 -0.12 1.98 0.74 -0.37 -4.82 119.66 117.33 7i1b s GLN 81 Ca 0.15 -0.32 -0.13 0.00 0.05 0.00 0.00 55.36 55.11 7i1b s GLN 81 Cb -0.13 0.46 -0.05 0.00 1.10 0.00 0.00 33.01 34.40 7i1b s GLN 81 CO 0.04 -0.37 0.31 -0.51 -0.55 0.00 0.00 175.29 174.21 7i1b s LEU 82 N -2.09 4.32 -0.07 3.68 1.43 -1.26 0.22 118.68 124.91 7i1b s LEU 82 Ca -0.04 0.62 0.02 0.00 -1.03 0.00 0.00 54.13 53.69 7i1b s LEU 82 Cb -0.00 -2.40 0.02 0.00 0.03 0.00 0.00 46.19 43.84 7i1b s LEU 82 CO -0.03 0.19 -0.11 -0.70 0.23 0.00 0.00 176.35 175.93 7i1b s GLU 83 N -0.07 1.59 -0.14 1.70 2.12 -0.79 -4.93 118.70 118.17 7i1b s GLU 83 Ca 0.18 -0.35 -0.29 0.00 0.36 0.00 0.00 54.97 54.87 7i1b s GLU 83 Cb -0.14 -1.39 -0.02 0.00 0.26 0.00 0.00 34.13 32.84 7i1b s GLU 83 CO 0.06 -0.04 1.24 -1.54 -0.54 0.00 0.00 175.26 174.44 7i1b s SER 84 N 0.90 6.98 0.00 -1.70 1.04 -1.26 -1.76 113.70 117.89 7i1b s SER 84 Ca -0.10 1.70 0.00 0.00 0.48 0.00 0.00 55.95 58.03 7i1b s SER 84 Cb -0.15 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.43 7i1b s SER 84 CO 0.01 -0.71 0.00 1.33 0.98 0.00 0.00 173.24 174.84 7i1b n VAL 85 N 5.19 0.00 -3.11 5.02 0.24 -1.07 -4.97 118.33 119.63 7i1b n VAL 85 Ca 0.13 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 62.02 7i1b n VAL 85 Cb 0.45 -0.92 -0.07 0.00 -1.47 0.00 0.00 33.84 31.84 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 -0.98 6.47 0.00 -1.34 -1.08 -1.26 -4.91 116.67 113.57 7i1b s ASP 86 Ca 0.00 0.32 0.05 0.00 -0.52 0.00 0.00 52.55 52.40 7i1b s ASP 86 Cb 0.00 -2.33 0.24 0.00 -1.46 0.00 0.00 42.92 39.37 7i1b s ASP 86 CO 0.00 -0.53 1.11 -0.81 0.52 0.00 0.00 175.17 175.46 7i1b n PRO 87 N 5.95 0.03 -0.08 4.34 -0.04 -1.26 -1.47 135.00 142.47 7i1b n PRO 87 Ca -0.01 0.35 -0.17 0.00 -0.04 0.00 0.00 63.50 63.62 7i1b n PRO 87 Cb 0.49 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.42 0.69 -0.06 0.54 5.02 -1.26 -4.60 118.16 117.07 7i1b n LYS 88 Ca 0.02 0.18 -0.18 0.00 -2.02 0.00 0.00 58.31 56.30 7i1b n LYS 88 Cb 0.05 -1.60 -0.13 0.00 -0.02 0.00 0.00 35.03 33.34 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 0.02 0.09 -3.79 4.39 -0.26 -1.87 -3.47 115.58 110.70 7i1b h ASN 89 Ca -0.50 -0.79 -0.48 0.00 -0.56 0.00 0.00 56.30 53.96 7i1b h ASN 89 Cb 1.99 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 39.21 7i1b h ASN 89 CO -0.01 1.30 0.14 -0.31 -1.06 0.00 0.00 177.43 177.50 7i1b s TYR 90 N -2.33 3.38 0.93 1.19 2.02 -0.54 -4.29 117.35 117.70 7i1b s TYR 90 Ca -0.22 1.26 -0.13 0.00 -0.37 0.00 0.00 57.07 57.61 7i1b s TYR 90 Cb 0.02 -2.58 0.15 0.00 -0.40 0.00 0.00 41.96 39.15 7i1b s TYR 90 CO 0.67 0.02 1.14 -1.25 -1.57 0.00 0.00 175.55 174.57 7i1b s PRO 91 N -3.16 0.98 0.00 -1.71 0.04 -1.26 -4.66 135.00 125.23 7i1b s PRO 91 Ca 0.55 0.25 -0.10 0.00 0.04 0.00 0.00 61.00 61.74 7i1b s PRO 91 Cb -0.10 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.63 7i1b s PRO 91 CO 0.19 -2.30 0.21 0.15 0.04 0.00 0.00 177.00 175.29 7i1b s LYS 92 N -5.30 0.57 0.40 4.56 1.02 -1.26 -4.17 119.74 115.57 7i1b s LYS 92 Ca 0.65 -0.35 0.19 0.00 0.02 0.00 0.00 55.97 56.48 7i1b s LYS 92 Cb -0.14 0.24 1.12 0.00 -0.52 0.00 0.00 37.83 38.54 7i1b s LYS 92 CO 0.54 -0.15 1.77 1.57 -0.92 0.00 0.00 175.35 178.16 7i1b h LYS 93 N 4.04 0.37 -6.68 1.68 2.10 -1.93 -3.40 116.57 112.75 7i1b h LYS 93 Ca -0.30 -0.02 -0.67 0.00 -2.00 0.00 0.00 60.65 57.66 7i1b h LYS 93 Cb 1.19 -0.08 -0.18 0.00 -0.90 0.00 0.00 32.23 32.25 7i1b h LYS 93 CO 0.41 0.24 -0.80 0.21 -2.00 0.00 0.00 179.45 177.51 7i1b s LYS 94 N -5.46 1.71 0.02 0.07 2.20 -1.26 0.75 119.74 117.77 7i1b s LYS 94 Ca -0.09 -1.30 -0.08 0.00 -0.36 0.00 0.00 55.97 54.15 7i1b s LYS 94 Cb 0.25 -2.03 -0.00 0.00 -1.51 0.00 0.00 37.83 34.54 7i1b s LYS 94 CO 0.80 0.45 0.15 -1.64 -0.36 0.00 0.00 175.35 174.75 7i1b s MET 95 N -2.36 0.58 0.39 4.03 -1.94 -1.26 -4.96 119.30 113.78 7i1b s MET 95 Ca 0.19 -0.56 -0.27 0.00 -1.71 0.00 0.00 55.69 53.33 7i1b s MET 95 Cb -0.10 0.24 -0.10 0.00 2.01 0.00 0.00 34.83 36.88 7i1b s MET 95 CO 0.10 -0.15 1.46 -1.21 -0.01 0.00 0.00 175.02 175.21 7i1b s GLU 96 N -2.08 4.02 0.62 2.03 2.02 -1.26 -4.74 118.70 119.31 7i1b s GLU 96 Ca -0.09 2.50 0.24 0.00 0.02 0.00 0.00 54.97 57.64 7i1b s GLU 96 Cb -0.04 -2.90 0.99 0.00 0.10 0.00 0.00 34.13 32.29 7i1b s GLU 96 CO -0.02 -0.58 1.46 0.87 0.02 0.00 0.00 175.26 177.02 7i1b h LYS 97 N 2.86 0.00 -0.81 1.61 6.56 -1.94 0.48 116.57 125.33 7i1b h LYS 97 Ca -0.51 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.06 7i1b h LYS 97 Cb 1.24 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.87 7i1b h LYS 97 CO 0.63 0.00 0.42 0.00 -2.06 0.00 0.00 179.45 178.44 7i1b h ARG 98 N 0.00 1.15 -0.02 3.15 3.08 -1.87 -2.51 114.38 117.36 7i1b h ARG 98 Ca 0.31 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.20 7i1b h ARG 98 Cb 2.15 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.99 7i1b h ARG 98 CO -0.00 0.87 -0.15 1.19 -1.07 0.00 0.00 179.97 180.81 7i1b n PHE 99 N -4.37 0.00 -3.26 3.04 3.72 0.17 -2.97 117.46 113.78 7i1b n PHE 99 Ca 0.08 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.09 7i1b n PHE 99 Cb 0.12 -0.03 -0.07 0.00 -0.94 0.00 0.00 39.48 38.56 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 -2.22 5.12 -0.14 -4.37 1.01 -0.95 -4.16 120.40 114.70 7i1b s VAL 100 Ca 0.29 0.94 0.01 0.00 0.00 0.00 0.00 61.98 63.21 7i1b s VAL 100 Cb 0.20 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.77 7i1b s VAL 100 CO 0.42 0.20 -0.15 -0.36 0.00 0.00 0.00 175.10 175.21 7i1b s PHE 101 N 1.49 2.19 -0.46 5.22 0.40 -0.77 -2.23 117.98 123.81 7i1b s PHE 101 Ca 0.24 -1.18 -0.28 0.00 -0.60 0.00 0.00 56.93 55.11 7i1b s PHE 101 Cb -0.15 -1.59 -0.01 0.00 0.51 0.00 0.00 43.02 41.78 7i1b s PHE 101 CO 0.10 -0.63 1.72 -0.80 0.70 0.00 0.00 175.22 176.31 7i1b s ASN 102 N 1.32 5.78 -0.58 1.36 -0.87 -0.70 -2.31 114.94 118.94 7i1b s ASN 102 Ca 0.02 0.81 -0.27 0.00 -1.57 0.00 0.00 52.86 51.85 7i1b s ASN 102 Cb -0.13 -2.53 0.03 0.00 -0.02 0.00 0.00 41.25 38.60 7i1b s ASN 102 CO -0.08 -1.88 1.11 -0.75 -2.57 0.00 0.00 177.10 172.93 7i1b s LYS 103 N 5.98 3.43 0.38 -0.60 2.20 -0.96 -2.59 119.74 127.58 7i1b s LYS 103 Ca 0.70 0.04 0.08 0.00 -0.36 0.00 0.00 55.97 56.43 7i1b s LYS 103 Cb -0.17 -4.04 -0.02 0.00 -1.51 0.00 0.00 37.83 32.10 7i1b s LYS 103 CO 0.28 -1.65 0.40 0.42 -0.36 0.00 0.00 175.35 174.45 7i1b s ILE 104 N 4.67 3.14 -0.11 5.43 1.01 -0.44 -2.31 121.20 132.59 7i1b s ILE 104 Ca 0.38 -1.24 0.01 0.00 0.00 0.00 0.00 60.65 59.80 7i1b s ILE 104 Cb -0.09 -3.10 0.02 0.00 0.01 0.00 0.00 42.46 39.29 7i1b s ILE 104 CO 0.23 -0.07 -0.14 -1.61 0.00 0.00 0.00 174.94 173.35 7i1b s GLU 105 N -4.14 2.14 -0.04 2.79 8.01 -1.26 -2.05 118.70 124.15 7i1b s GLU 105 Ca 0.47 -0.52 -0.01 0.00 0.01 0.00 0.00 54.97 54.91 7i1b s GLU 105 Cb -0.06 -1.88 0.03 0.00 -4.31 0.00 0.00 34.13 27.91 7i1b s GLU 105 CO 0.29 -0.11 0.04 0.42 0.01 0.00 0.00 175.26 175.91 7i1b s ILE 106 N 1.14 -0.00 -1.47 -1.63 1.01 0.78 -4.84 121.20 116.18 7i1b s ILE 106 Ca -0.04 0.33 -0.09 0.00 0.00 0.00 0.00 60.65 60.86 7i1b s ILE 106 Cb -0.14 -0.21 0.06 0.00 0.01 0.00 0.00 42.46 42.17 7i1b s ILE 106 CO -0.04 0.18 0.80 0.59 0.00 0.00 0.00 174.94 176.47 7i1b n ASN 107 N 5.04 -2.96 -0.49 3.58 5.03 -1.26 0.58 115.26 124.78 7i1b n ASN 107 Ca -0.09 -0.85 -0.06 0.00 0.87 0.00 0.00 54.58 54.45 7i1b n ASN 107 Cb 0.50 -3.68 -0.03 0.00 -1.02 0.00 0.00 39.78 35.55 7i1b n ASN 107 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 7i1b n ASN 108 N -2.90 -4.97 -4.67 6.41 3.02 -1.26 -4.97 115.26 105.92 7i1b n ASN 108 Ca -0.10 0.16 -0.23 0.00 -0.03 0.00 0.00 54.58 54.37 7i1b n ASN 108 Cb 0.59 -3.03 -0.07 0.00 -0.61 0.00 0.00 39.78 36.65 7i1b n ASN 108 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 7i1b s LYS 109 N -2.21 2.25 0.09 3.52 1.02 0.20 -5.04 119.74 119.57 7i1b s LYS 109 Ca 0.00 -1.56 0.05 0.00 0.02 0.00 0.00 55.97 54.48 7i1b s LYS 109 Cb 0.00 -2.09 -0.04 0.00 -0.52 0.00 0.00 37.83 35.18 7i1b s LYS 109 CO 0.00 0.21 0.00 -0.51 -0.92 0.00 0.00 175.35 174.13 7i1b s LEU 110 N -3.74 3.48 -0.04 3.17 1.43 -0.95 -0.16 118.68 121.87 7i1b s LEU 110 Ca 0.35 -0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.26 7i1b s LEU 110 Cb -0.03 -2.21 0.03 0.00 0.03 0.00 0.00 46.19 44.01 7i1b s LEU 110 CO 0.21 0.17 0.04 -0.70 0.23 0.00 0.00 176.35 176.30 7i1b s GLU 111 N -2.31 0.02 -0.37 1.70 2.12 -0.87 -0.97 118.70 118.02 7i1b s GLU 111 Ca 0.26 0.28 -0.11 0.00 0.36 0.00 0.00 54.97 55.75 7i1b s GLU 111 Cb -0.12 -0.47 0.02 0.00 0.26 0.00 0.00 34.13 33.82 7i1b s GLU 111 CO 0.18 -0.26 0.21 -0.06 -0.54 0.00 0.00 175.26 174.79 7i1b s PHE 112 N 1.73 3.23 -0.15 5.30 0.08 -1.26 -1.33 117.98 125.59 7i1b s PHE 112 Ca -0.00 -0.80 -0.08 0.00 0.12 0.00 0.00 56.93 56.16 7i1b s PHE 112 Cb -0.12 -2.45 -0.04 0.00 -0.57 0.00 0.00 43.02 39.83 7i1b s PHE 112 CO -0.03 -0.59 0.13 -2.00 -0.10 0.00 0.00 175.22 172.63 7i1b s GLU 113 N 1.59 3.74 -0.24 0.44 2.12 -1.07 -2.34 118.70 122.94 7i1b s GLU 113 Ca 0.03 -0.18 -0.29 0.00 0.36 0.00 0.00 54.97 54.90 7i1b s GLU 113 Cb -0.19 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 7i1b s GLU 113 CO 0.07 0.58 1.89 0.45 -0.54 0.00 0.00 175.26 177.72 7i1b s SER 114 N -0.45 5.92 0.59 -1.70 0.15 -0.60 -1.72 113.70 115.89 7i1b s SER 114 Ca 0.12 1.67 0.28 0.00 0.70 0.00 0.00 55.95 58.71 7i1b s SER 114 Cb -0.12 -2.52 1.50 0.00 -1.71 0.00 0.00 66.02 63.17 7i1b s SER 114 CO 0.02 -1.62 1.83 0.00 1.20 0.00 0.00 173.24 174.66 7i1b h ALA 115 N 12.83 1.27 0.00 5.45 0.00 -1.62 -1.96 119.26 135.23 7i1b h ALA 115 Ca -0.37 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 7i1b h ALA 115 Cb 1.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 7i1b h ALA 115 CO 1.00 -0.27 -0.23 0.37 0.00 0.00 0.00 179.25 180.11 7i1b h GLN 116 N 0.00 0.00 -3.78 0.00 4.15 -1.81 -3.43 115.11 110.24 7i1b h GLN 116 Ca 0.00 0.00 -0.69 0.00 0.77 0.00 0.00 58.65 58.73 7i1b h GLN 116 Cb 0.58 0.00 -0.35 0.00 0.21 0.00 0.00 27.48 27.92 7i1b h GLN 116 CO 0.00 0.34 -0.41 -0.06 -1.93 0.00 0.00 178.83 176.77 7i1b s PHE 117 N -1.93 3.44 0.83 3.99 0.08 -0.74 -5.09 117.98 118.57 7i1b s PHE 117 Ca -0.10 -2.67 -0.13 0.00 0.12 0.00 0.00 56.93 54.15 7i1b s PHE 117 Cb 0.00 -3.19 0.08 0.00 -0.57 0.00 0.00 43.02 39.34 7i1b s PHE 117 CO 0.27 -0.87 1.09 -2.30 -0.10 0.00 0.00 175.22 173.31 7i1b n PRO 118 N 3.71 0.03 0.00 0.24 -0.02 -1.19 -2.30 135.00 135.47 7i1b n PRO 118 Ca 0.05 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 7i1b n PRO 118 Cb 0.38 -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 -3.13 0.00 -4.34 2.55 5.03 -1.26 -4.97 115.26 109.14 7i1b n ASN 119 Ca 0.13 0.00 -0.38 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 -2.14 3.18 0.55 3.10 0.52 -0.97 -4.54 118.94 118.64 7i1b s TRP 120 Ca 0.00 -1.03 0.03 0.00 0.02 0.00 0.00 56.10 55.12 7i1b s TRP 120 Cb 0.00 -2.29 0.03 0.00 -1.15 0.00 0.00 33.47 30.06 7i1b s TRP 120 CO 0.00 -0.60 0.26 0.66 0.02 0.00 0.00 176.95 177.29 7i1b n TYR 121 N 4.88 0.09 -2.96 -1.98 4.02 -0.58 -1.56 117.16 119.08 7i1b n TYR 121 Ca -0.14 -2.45 -0.41 0.00 -0.01 0.00 0.00 57.90 54.90 7i1b n TYR 121 Cb 0.47 -0.42 -0.05 0.00 -0.02 0.00 0.00 39.34 39.33 7i1b n TYR 121 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 7i1b s ILE 122 N -2.82 4.92 0.14 -0.72 1.01 -0.99 -1.68 121.20 121.05 7i1b s ILE 122 Ca 0.20 1.49 0.03 0.00 0.00 0.00 0.00 60.65 62.37 7i1b s ILE 122 Cb -0.02 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 7i1b s ILE 122 CO 0.13 0.04 -0.06 -0.44 0.00 0.00 0.00 174.94 174.61 7i1b s SER 123 N 1.18 1.42 0.13 3.58 0.01 -0.67 -4.43 113.70 114.92 7i1b s SER 123 Ca 0.35 -1.05 0.05 0.00 1.31 0.00 0.00 55.95 56.61 7i1b s SER 123 Cb -0.16 0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.09 7i1b s SER 123 CO 0.11 -0.44 -0.12 0.42 0.41 0.00 0.00 173.24 173.62 7i1b s THR 124 N -3.51 1.22 -0.19 1.44 -4.23 -0.90 -2.61 115.64 106.85 7i1b s THR 124 Ca 0.17 -1.85 -0.21 0.00 -1.18 0.00 0.00 61.69 58.62 7i1b s THR 124 Cb 0.04 -1.64 -0.03 0.00 1.34 0.00 0.00 72.50 72.22 7i1b s THR 124 CO -0.01 -0.57 0.62 -0.55 -0.54 0.00 0.00 174.62 173.58 7i1b s SER 125 N -2.76 6.69 0.56 3.99 0.15 -1.26 -2.72 113.70 118.34 7i1b s SER 125 Ca 0.12 0.83 0.38 0.00 0.70 0.00 0.00 55.95 57.98 7i1b s SER 125 Cb -0.02 -2.35 1.53 0.00 -1.71 0.00 0.00 66.02 63.48 7i1b s SER 125 CO 0.02 -0.26 1.71 -0.61 1.20 0.00 0.00 173.24 175.30 7i1b h GLN 126 N 7.45 0.00 -6.45 5.44 4.15 -1.98 -3.41 115.11 120.31 7i1b h GLN 126 Ca -0.32 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.57 7i1b h GLN 126 Cb 1.15 0.00 0.23 0.00 0.21 0.00 0.00 27.48 29.06 7i1b h GLN 126 CO 0.77 0.00 -1.21 0.00 -1.93 0.00 0.00 178.83 176.46 7i1b n ALA 127 N -2.71 -3.98 -2.23 3.38 0.00 -1.26 -4.92 120.51 108.79 7i1b n ALA 127 Ca 0.28 -0.74 -0.37 0.00 0.00 0.00 0.00 53.44 52.61 7i1b n ALA 127 Cb 1.39 -1.48 -0.06 0.00 0.00 0.00 0.00 19.45 19.30 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 -2.93 4.17 -0.75 0.00 2.02 -1.26 -4.41 118.70 115.54 7i1b s GLU 128 Ca 0.49 0.73 -0.03 0.00 0.02 0.00 0.00 54.97 56.18 7i1b s GLU 128 Cb -0.17 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.03 7i1b s GLU 128 CO 0.73 0.51 0.65 0.09 0.02 0.00 0.00 175.26 177.25 7i1b n ASN 129 N 1.10 -6.32 -4.08 -0.19 3.02 -1.25 -5.01 115.26 102.53 7i1b n ASN 129 Ca -0.06 -0.46 -0.21 0.00 -0.03 0.00 0.00 54.58 53.82 7i1b n ASN 129 Cb 0.51 -3.44 -0.15 0.00 -0.61 0.00 0.00 39.78 36.09 7i1b n ASN 129 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 7i1b s MET 130 N -3.85 1.02 0.49 3.52 -1.94 -1.25 -4.99 119.30 112.31 7i1b s MET 130 Ca 0.03 -0.44 -0.24 0.00 -1.71 0.00 0.00 55.69 53.33 7i1b s MET 130 Cb -0.01 -0.99 -0.07 0.00 2.01 0.00 0.00 34.83 35.78 7i1b s MET 130 CO 0.83 0.26 1.36 -1.25 -0.01 0.00 0.00 175.02 176.21 7i1b s PRO 131 N -0.27 3.47 0.53 2.03 0.04 -1.26 -2.57 135.00 136.96 7i1b s PRO 131 Ca 0.04 2.26 -0.15 0.00 0.04 0.00 0.00 61.00 63.20 7i1b s PRO 131 Cb -0.05 -2.46 -0.07 0.00 0.04 0.00 0.00 34.50 31.96 7i1b s PRO 131 CO -0.00 -0.94 0.98 0.08 0.04 0.00 0.00 177.00 177.15 7i1b s VAL 132 N -1.28 4.60 0.35 -0.36 1.01 -0.94 -4.63 120.40 119.14 7i1b s VAL 132 Ca 0.66 1.08 -0.17 0.00 0.00 0.00 0.00 61.98 63.55 7i1b s VAL 132 Cb -0.41 -3.76 0.06 0.00 0.00 0.00 0.00 36.38 32.28 7i1b s VAL 132 CO 0.50 -0.78 0.85 2.22 0.00 0.00 0.00 175.10 177.89 7i1b n PHE 133 N -1.83 -2.14 -3.79 5.22 -1.74 -1.07 -4.84 117.46 107.27 7i1b n PHE 133 Ca 0.06 -1.73 -0.36 0.00 -0.56 0.00 0.00 57.45 54.87 7i1b n PHE 133 Cb 0.54 0.86 -0.09 0.00 1.52 0.00 0.00 39.48 42.31 7i1b n PHE 133 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 7i1b s LEU 134 N 0.00 4.00 0.29 5.98 2.96 -1.26 -1.67 118.68 128.97 7i1b s LEU 134 Ca 0.18 0.11 0.02 0.00 -0.22 0.00 0.00 54.13 54.22 7i1b s LEU 134 Cb -0.04 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.55 7i1b s LEU 134 CO 0.10 0.12 0.09 -0.83 -1.32 0.00 0.00 176.35 174.52 7i1b s GLY 135 N 0.72 1.92 -0.43 7.98 0.00 -0.68 -4.69 107.32 112.15 7i1b s GLY 135 Ca 0.06 -1.87 0.06 0.00 0.00 0.00 0.00 44.72 42.97 7i1b s GLY 135 CO 0.02 -1.67 1.10 0.61 0.00 0.00 0.00 173.10 173.16 7i1b n GLY 136 N -0.57 5.77 2.60 0.20 0.00 -1.26 -1.53 105.19 110.40 7i1b n GLY 136 Ca -0.01 -2.68 -0.29 0.00 0.00 0.00 0.00 46.02 43.04 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 -5.37 0.97 0.08 2.61 2.01 -1.26 -5.02 115.64 109.66 7i1b s THR 137 Ca 0.47 -2.47 -0.31 0.00 0.31 0.00 0.00 61.69 59.69 7i1b s THR 137 Cb 0.40 -1.68 -0.08 0.00 0.01 0.00 0.00 72.50 71.15 7i1b s THR 137 CO -0.17 -0.99 1.63 -0.75 -0.69 0.00 0.00 174.62 173.65 7i1b s LYS 138 N 0.36 4.20 6.17 4.92 2.20 -1.26 -4.54 119.74 131.79 7i1b s LYS 138 Ca 0.21 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 58.15 7i1b s LYS 138 Cb -0.17 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.62 7i1b s LYS 138 CO -0.05 -0.71 0.00 0.41 -0.36 0.00 0.00 175.35 174.64 7i1b n GLY 139 N 3.95 3.84 7.00 5.54 0.00 -1.25 -4.80 105.19 119.46 7i1b n GLY 139 Ca 0.15 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 3.07 0.09 -0.02 0.00 -1.26 -2.00 105.19 105.07 7i1b n GLY 140 Ca 0.00 0.29 -0.09 0.00 0.00 0.00 0.00 46.02 46.21 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 10.05 1.06 -3.14 1.61 7.27 -1.26 -4.96 117.38 128.01 7i1b n GLN 141 Ca 0.00 -0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.75 7i1b n GLN 141 Cb 0.00 -1.46 -0.06 0.00 2.41 0.00 0.00 30.24 31.14 7i1b n GLN 141 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 7i1b s ASP 142 N -5.24 6.71 -0.56 1.69 1.11 -0.84 -4.72 116.67 114.82 7i1b s ASP 142 Ca -0.10 1.20 -0.18 0.00 0.18 0.00 0.00 52.55 53.65 7i1b s ASP 142 Cb 0.05 -2.34 0.10 0.00 1.07 0.00 0.00 42.92 41.80 7i1b s ASP 142 CO 0.72 -0.21 0.65 -0.63 1.18 0.00 0.00 175.17 176.88 7i1b s ILE 143 N -2.02 4.90 -0.13 0.77 1.01 -1.10 -3.91 121.20 120.72 7i1b s ILE 143 Ca 0.53 -0.96 0.18 0.00 0.00 0.00 0.00 60.65 60.40 7i1b s ILE 143 Cb -0.10 -4.41 -0.20 0.00 0.01 0.00 0.00 42.46 37.75 7i1b s ILE 143 CO 0.20 -1.00 0.57 0.35 0.00 0.00 0.00 174.94 175.06 7i1b n THR 144 N 5.51 0.99 -1.17 2.92 -2.24 -1.26 -2.12 114.28 116.90 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 0.43 -0.51 0.16 0.00 -2.10 0.00 0.00 70.33 68.31 7i1b n THR 144 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 7i1b s ASP 145 N -5.44 2.91 0.22 3.42 1.47 -1.26 -4.58 116.67 113.41 7i1b s ASP 145 Ca -0.06 1.31 -0.06 0.00 1.18 0.00 0.00 52.55 54.92 7i1b s ASP 145 Cb 0.09 -1.98 0.02 0.00 -0.34 0.00 0.00 42.92 40.72 7i1b s ASP 145 CO 0.84 -2.97 0.40 0.49 0.68 0.00 0.00 175.17 174.60 7i1b n PHE 146 N -4.08 -1.51 -3.61 2.11 3.72 -0.14 -4.08 117.46 109.86 7i1b n PHE 146 Ca 0.06 -1.22 -0.12 0.00 -0.05 0.00 0.00 57.45 56.12 7i1b n PHE 146 Cb 0.56 0.46 -0.12 0.00 -0.94 0.00 0.00 39.48 39.45 7i1b n PHE 146 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 7i1b s THR 147 N -2.55 -0.50 0.22 4.37 -4.23 0.16 -2.24 115.64 110.88 7i1b s THR 147 Ca 0.12 0.18 -0.05 0.00 -1.18 0.00 0.00 61.69 60.76 7i1b s THR 147 Cb -0.02 -0.57 -0.06 0.00 1.34 0.00 0.00 72.50 73.20 7i1b s THR 147 CO 0.09 0.05 0.48 -0.32 -0.54 0.00 0.00 174.62 174.38 7i1b s MET 148 N 2.48 3.65 -0.11 3.99 1.75 -1.26 -1.31 119.30 128.48 7i1b s MET 148 Ca 0.02 -0.01 -0.04 0.00 -1.25 0.00 0.00 55.69 54.42 7i1b s MET 148 Cb -0.13 -2.73 0.05 0.00 2.84 0.00 0.00 34.83 34.87 7i1b s MET 148 CO -0.11 0.33 0.14 -1.14 -0.65 0.00 0.00 175.02 173.59 7i1b s GLN 149 N -3.11 0.04 0.78 4.11 2.00 -0.93 -4.99 119.66 117.56 7i1b s GLN 149 Ca 0.43 0.34 -0.14 0.00 -2.00 0.00 0.00 55.36 53.99 7i1b s GLN 149 Cb -0.11 -0.78 0.04 0.00 0.80 0.00 0.00 33.01 32.96 7i1b s GLN 149 CO 0.26 -0.44 1.01 1.19 -0.50 0.00 0.00 175.29 176.81 7i1b n PHE 150 N 5.31 0.70 -3.92 1.67 3.01 -1.26 -2.19 117.46 120.77 7i1b n PHE 150 Ca -0.05 0.38 -0.10 0.00 1.01 0.00 0.00 57.45 58.70 7i1b n PHE 150 Cb 0.50 -2.06 -0.09 0.00 -0.01 0.00 0.00 39.48 37.81 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 -2.02 0.13 0.00 -4.37 -7.23 -1.18 -4.82 120.40 100.91 7i1b s VAL 151 Ca 0.72 -1.04 0.00 0.00 -1.81 0.00 0.00 61.98 59.85 7i1b s VAL 151 Cb -0.31 -0.82 0.00 0.00 0.56 0.00 0.00 36.38 35.81 7i1b s VAL 151 CO 0.52 -0.57 0.00 -0.24 -0.31 0.00 0.00 175.10 174.50 7i1b n SER 152 N 0.87 0.00 0.00 4.85 2.88 -1.26 -4.79 113.62 116.17 7i1b n SER 152 Ca -0.20 -0.88 0.00 0.00 -1.33 0.00 0.00 58.87 56.47 7i1b n SER 152 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 7i1b n SER 152 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27