#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 0.61 -1.77 0.00 -0.04 -1.26 -4.71 135.00 127.84 7i1b n PRO 2 Ca 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.46 7i1b n PRO 2 Cb 0.00 -1.19 -0.00 0.00 -0.04 0.00 0.00 33.50 32.27 7i1b n PRO 2 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 7i1b n VAL 3 N 0.87 0.00 -3.46 0.52 0.24 -1.26 -4.87 118.33 110.37 7i1b n VAL 3 Ca 0.00 -0.03 -0.17 0.00 -2.04 0.00 0.00 64.34 62.11 7i1b n VAL 3 Cb 0.31 0.02 -0.12 0.00 -1.47 0.00 0.00 33.84 32.57 7i1b n VAL 3 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 7i1b s ARG 4 N -2.01 0.23 0.43 7.34 3.52 -1.26 -5.07 118.95 122.13 7i1b s ARG 4 Ca 0.00 0.22 -0.12 0.00 -0.13 0.00 0.00 55.73 55.71 7i1b s ARG 4 Cb 0.00 -1.03 -0.07 0.00 -1.56 0.00 0.00 34.95 32.29 7i1b s ARG 4 CO 0.00 -0.69 0.82 -1.12 -0.81 0.00 0.00 175.30 173.50 7i1b s SER 5 N 2.37 6.53 -0.19 -2.12 0.01 -1.26 -3.02 113.70 116.02 7i1b s SER 5 Ca 0.08 1.22 -0.04 0.00 1.31 0.00 0.00 55.95 58.52 7i1b s SER 5 Cb -0.16 -2.36 0.06 0.00 0.21 0.00 0.00 66.02 63.78 7i1b s SER 5 CO -0.15 -0.45 0.08 -0.76 0.41 0.00 0.00 173.24 172.37 7i1b s LEU 6 N -3.94 0.55 -0.15 2.44 1.02 0.74 -4.94 118.68 114.40 7i1b s LEU 6 Ca 0.53 -0.74 -0.29 0.00 0.02 0.00 0.00 54.13 53.65 7i1b s LEU 6 Cb -0.10 -0.33 -0.02 0.00 0.02 0.00 0.00 46.19 45.76 7i1b s LEU 6 CO 0.32 -0.35 1.28 0.20 0.02 0.00 0.00 176.35 177.82 7i1b s ASN 7 N 2.07 6.94 0.13 2.29 0.02 -1.26 0.48 114.94 125.62 7i1b s ASN 7 Ca 0.02 1.74 -0.19 0.00 -1.02 0.00 0.00 52.86 53.41 7i1b s ASN 7 Cb -0.16 -2.54 0.05 0.00 0.02 0.00 0.00 41.25 38.62 7i1b s ASN 7 CO -0.12 -0.76 0.48 0.00 0.02 0.00 0.00 177.10 176.72 7i1b s THR 9 N -3.74 4.04 -0.05 0.00 -4.23 -1.05 -1.30 115.64 109.31 7i1b s THR 9 Ca 0.02 -1.58 0.04 0.00 -1.18 0.00 0.00 61.69 58.99 7i1b s THR 9 Cb 0.01 -3.20 -0.02 0.00 1.34 0.00 0.00 72.50 70.62 7i1b s THR 9 CO -0.12 -0.35 -0.16 -0.76 -0.54 0.00 0.00 174.62 172.69 7i1b s LEU 10 N -3.80 2.59 0.00 4.79 1.43 -1.26 -2.10 118.68 120.34 7i1b s LEU 10 Ca 0.33 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 7i1b s LEU 10 Cb -0.07 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.63 7i1b s LEU 10 CO 0.23 0.32 -0.03 -0.60 0.23 0.00 0.00 176.35 176.50 7i1b s ARG 11 N -0.56 0.24 0.45 1.70 3.52 -0.36 -3.44 118.95 120.50 7i1b s ARG 11 Ca 0.08 -0.20 -0.03 0.00 -0.13 0.00 0.00 55.73 55.45 7i1b s ARG 11 Cb -0.11 -0.18 -0.02 0.00 -1.56 0.00 0.00 34.95 33.07 7i1b s ARG 11 CO 0.01 0.04 0.72 0.16 -0.81 0.00 0.00 175.30 175.42 7i1b s ASP 12 N -0.32 6.12 0.00 -2.12 -4.77 -0.70 -1.03 116.67 113.85 7i1b s ASP 12 Ca -0.02 0.68 0.06 0.00 -3.30 0.00 0.00 52.55 49.97 7i1b s ASP 12 Cb -0.03 -2.01 0.30 0.00 -1.09 0.00 0.00 42.92 40.09 7i1b s ASP 12 CO -0.00 -0.58 0.93 -1.54 0.70 0.00 0.00 175.17 174.67 7i1b n SER 13 N -2.15 0.00 -0.66 2.11 3.41 -1.26 -1.08 113.62 114.00 7i1b n SER 13 Ca -0.00 0.04 0.11 0.00 -0.26 0.00 0.00 58.87 58.76 7i1b n SER 13 Cb 0.56 -0.16 0.35 0.00 -0.26 0.00 0.00 64.21 64.70 7i1b n SER 13 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 7i1b n GLN 14 N -1.16 1.87 -0.97 4.33 -0.06 -1.26 -4.89 117.38 115.24 7i1b n GLN 14 Ca 0.03 -1.30 0.00 0.00 -2.00 0.00 0.00 57.00 53.73 7i1b n GLN 14 Cb 0.03 -1.42 0.00 0.00 -4.06 0.00 0.00 30.24 24.79 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 0.53 0.00 -2.56 3.69 7.27 -0.24 -5.02 117.38 121.05 7i1b n GLN 15 Ca 0.17 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 56.98 7i1b n GLN 15 Cb 0.39 -2.63 0.03 0.00 2.41 0.00 0.00 30.24 30.43 7i1b n GLN 15 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 7i1b s LYS 16 N -0.03 2.95 0.24 3.69 1.02 -1.25 -4.76 119.74 121.60 7i1b s LYS 16 Ca 0.00 -0.15 0.05 0.00 0.02 0.00 0.00 55.97 55.88 7i1b s LYS 16 Cb 0.00 -2.35 -0.05 0.00 -0.52 0.00 0.00 37.83 34.90 7i1b s LYS 16 CO 0.00 -0.58 -0.03 -1.12 -0.92 0.00 0.00 175.35 172.69 7i1b s SER 17 N -4.28 2.14 -0.11 2.83 0.01 -0.94 -1.72 113.70 111.64 7i1b s SER 17 Ca 0.52 -1.19 -0.18 0.00 1.31 0.00 0.00 55.95 56.42 7i1b s SER 17 Cb -0.10 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.03 7i1b s SER 17 CO 0.43 -0.43 0.47 -0.76 0.41 0.00 0.00 173.24 173.36 7i1b s LEU 18 N -3.34 4.29 -0.04 2.44 1.43 -1.22 -2.54 118.68 119.71 7i1b s LEU 18 Ca 0.27 0.83 0.05 0.00 -1.03 0.00 0.00 54.13 54.26 7i1b s LEU 18 Cb 0.05 -2.69 -0.01 0.00 0.03 0.00 0.00 46.19 43.57 7i1b s LEU 18 CO 0.09 0.03 -0.19 0.68 0.23 0.00 0.00 176.35 177.19 7i1b s VAL 19 N 0.47 1.57 -1.14 -1.59 -7.23 0.15 -2.63 120.40 109.99 7i1b s VAL 19 Ca 0.26 -0.81 -0.21 0.00 -1.81 0.00 0.00 61.98 59.41 7i1b s VAL 19 Cb -0.15 -1.33 0.06 0.00 0.56 0.00 0.00 36.38 35.52 7i1b s VAL 19 CO 0.11 0.45 1.57 0.00 -0.31 0.00 0.00 175.10 176.91 7i1b s MET 20 N -0.16 3.77 0.49 4.82 0.23 -1.26 -0.73 119.30 126.46 7i1b s MET 20 Ca 0.00 -1.53 0.28 0.00 -1.03 0.00 0.00 55.69 53.41 7i1b s MET 20 Cb -0.11 -5.42 0.90 0.00 -1.53 0.00 0.00 34.83 28.68 7i1b s MET 20 CO 0.01 -2.22 1.81 0.77 -2.03 0.00 0.00 175.02 173.37 7i1b h SER 21 N 8.78 0.00 -5.59 -1.18 0.02 -1.85 -3.46 113.55 110.28 7i1b h SER 21 Ca 0.31 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.98 7i1b h SER 21 Cb 0.95 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.38 7i1b h SER 21 CO 1.43 0.03 -0.35 -0.83 -1.14 0.00 0.00 176.83 175.97 7i1b s GLY 22 N -4.21 1.54 0.05 -3.77 0.00 -0.78 -5.01 107.32 95.14 7i1b s GLY 22 Ca 0.03 -1.60 -0.23 0.00 0.00 0.00 0.00 44.72 42.92 7i1b s GLY 22 CO 0.60 -1.15 1.36 -2.55 0.00 0.00 0.00 173.10 171.36 7i1b h PRO 23 N 2.26 -0.71 -0.77 2.90 0.11 -2.02 -3.16 132.00 130.61 7i1b h PRO 23 Ca -0.29 0.05 -0.47 0.00 0.11 0.00 0.00 66.00 65.40 7i1b h PRO 23 Cb 1.24 0.16 -0.26 0.00 0.11 0.00 0.00 31.00 32.25 7i1b h PRO 23 CO 0.41 -0.47 0.30 0.66 -0.21 0.00 0.00 178.00 178.69 7i1b n TYR 24 N -4.33 2.48 -3.74 0.65 4.01 -1.26 -4.93 117.16 110.04 7i1b n TYR 24 Ca -0.09 -2.15 -0.18 0.00 -0.16 0.00 0.00 57.90 55.32 7i1b n TYR 24 Cb 0.31 -0.87 -0.17 0.00 -0.31 0.00 0.00 39.34 38.30 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 -3.47 0.02 0.18 -0.72 2.02 -1.19 -4.48 118.70 111.05 7i1b s GLU 25 Ca 0.55 0.26 0.09 0.00 0.02 0.00 0.00 54.97 55.88 7i1b s GLU 25 Cb 0.46 -0.43 -0.04 0.00 0.10 0.00 0.00 34.13 34.22 7i1b s GLU 25 CO 0.03 -0.24 -0.12 -0.51 0.02 0.00 0.00 175.26 174.44 7i1b s LEU 26 N 1.60 2.88 0.00 1.80 1.43 -1.26 -1.87 118.68 123.25 7i1b s LEU 26 Ca -0.02 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 7i1b s LEU 26 Cb -0.13 -1.58 -0.00 0.00 0.03 0.00 0.00 46.19 44.51 7i1b s LEU 26 CO -0.03 0.11 -0.01 -0.54 0.23 0.00 0.00 176.35 176.11 7i1b s LYS 27 N -2.75 0.09 -0.30 1.70 1.02 0.09 -2.45 119.74 117.15 7i1b s LYS 27 Ca 0.24 -0.09 -0.11 0.00 0.02 0.00 0.00 55.97 56.03 7i1b s LYS 27 Cb -0.09 -0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.14 7i1b s LYS 27 CO 0.14 0.01 0.20 0.00 -0.92 0.00 0.00 175.35 174.78 7i1b s ALA 28 N -0.16 3.49 0.34 5.17 0.00 -1.09 -0.67 121.76 128.84 7i1b s ALA 28 Ca -0.01 -1.19 -0.07 0.00 0.00 0.00 0.00 51.96 50.68 7i1b s ALA 28 Cb -0.01 -2.51 0.02 0.00 0.00 0.00 0.00 23.12 20.62 7i1b s ALA 28 CO -0.00 -0.68 0.56 -0.48 0.00 0.00 0.00 175.76 175.16 7i1b s LEU 29 N 1.73 0.64 -0.72 0.00 0.05 -1.05 -4.11 118.68 115.23 7i1b s LEU 29 Ca 0.07 -1.31 -0.27 0.00 0.05 0.00 0.00 54.13 52.67 7i1b s LEU 29 Cb -0.16 1.87 0.01 0.00 -2.05 0.00 0.00 46.19 45.86 7i1b s LEU 29 CO 0.10 -1.38 1.49 -1.00 -0.55 0.00 0.00 176.35 175.02 7i1b s HIS 30 N -3.02 2.08 -0.15 3.48 3.76 -1.26 -2.22 115.29 117.97 7i1b s HIS 30 Ca 0.25 0.19 -0.23 0.00 -0.15 0.00 0.00 55.06 55.13 7i1b s HIS 30 Cb -0.02 -4.45 -0.03 0.00 1.11 0.00 0.00 32.58 29.20 7i1b s HIS 30 CO 0.16 -2.14 0.71 -1.17 -0.85 0.00 0.00 174.74 171.46 7i1b s LEU 31 N 6.88 4.21 0.19 0.89 2.96 -1.26 -5.02 118.68 127.53 7i1b s LEU 31 Ca 0.47 1.05 -0.22 0.00 -0.22 0.00 0.00 54.13 55.20 7i1b s LEU 31 Cb -0.09 -3.06 0.06 0.00 0.50 0.00 0.00 46.19 43.60 7i1b s LEU 31 CO 0.15 -0.26 0.64 -1.58 -1.32 0.00 0.00 176.35 173.98 7i1b s GLN 32 N 1.63 1.43 0.00 1.98 0.74 -1.26 -4.95 119.66 119.22 7i1b s GLN 32 Ca 0.34 -0.62 0.00 0.00 0.05 0.00 0.00 55.36 55.13 7i1b s GLN 32 Cb -0.17 0.59 0.00 0.00 1.10 0.00 0.00 33.01 34.54 7i1b s GLN 32 CO 0.13 -0.63 0.00 0.41 -0.55 0.00 0.00 175.29 174.65 7i1b n GLY 33 N -0.40 -1.05 0.00 2.59 0.00 -1.26 -3.85 105.19 101.22 7i1b n GLY 33 Ca -0.13 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.26 7i1b n GLY 33 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 7i1b n GLN 34 N -0.95 0.00 0.00 1.61 7.27 -1.26 -0.12 117.38 123.92 7i1b n GLN 34 Ca 0.00 0.29 0.12 0.00 0.07 0.00 0.00 57.00 57.48 7i1b n GLN 34 Cb 0.00 -1.62 0.65 0.00 2.41 0.00 0.00 30.24 31.68 7i1b n GLN 34 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 7i1b n ASP 35 N -1.27 0.00 0.15 1.69 2.03 -1.25 -3.52 116.55 114.39 7i1b n ASP 35 Ca 0.00 -0.50 0.18 0.00 0.52 0.00 0.00 54.79 54.99 7i1b n ASP 35 Cb 0.12 -0.10 0.65 0.00 -0.72 0.00 0.00 41.12 41.07 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 4.05 -0.72 0.23 114.93 117.82 7i1b h MET 36 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 7i1b h MET 36 Cb 0.07 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.87 7i1b h MET 36 CO 0.00 0.00 0.02 -0.85 0.23 0.00 0.00 176.91 176.31 7i1b n GLU 37 N -3.24 0.11 -0.27 0.39 0.28 -1.23 -1.50 120.64 115.18 7i1b n GLU 37 Ca 0.06 0.61 -0.03 0.00 -0.16 0.00 0.00 57.16 57.64 7i1b n GLU 37 Cb 0.71 -1.90 0.07 0.00 1.43 0.00 0.00 31.44 31.75 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 -2.12 1.56 -3.01 3.44 6.02 0.80 -4.79 117.38 119.28 7i1b n GLN 38 Ca -0.01 -0.76 -0.43 0.00 -0.01 0.00 0.00 57.00 55.79 7i1b n GLN 38 Cb 0.04 -1.44 -0.06 0.00 1.02 0.00 0.00 30.24 29.80 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 -1.05 3.39 1.05 -1.09 0.74 -0.56 -4.30 119.66 117.84 7i1b s GLN 39 Ca 0.14 -0.16 -0.12 0.00 0.05 0.00 0.00 55.36 55.27 7i1b s GLN 39 Cb 0.11 -3.93 0.22 0.00 1.10 0.00 0.00 33.01 30.51 7i1b s GLN 39 CO 0.03 -1.07 1.08 0.08 -0.55 0.00 0.00 175.29 174.86 7i1b s VAL 40 N 3.14 2.11 -0.27 1.34 1.01 -1.08 -5.01 120.40 121.63 7i1b s VAL 40 Ca 0.28 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.27 7i1b s VAL 40 Cb -0.13 -2.12 0.11 0.00 0.00 0.00 0.00 36.38 34.24 7i1b s VAL 40 CO 0.21 -0.05 0.20 -0.69 0.00 0.00 0.00 175.10 174.78 7i1b s VAL 41 N -2.58 -0.23 0.58 2.92 1.01 -1.26 -4.72 120.40 116.12 7i1b s VAL 41 Ca 0.67 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 62.05 7i1b s VAL 41 Cb -0.23 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.23 7i1b s VAL 41 CO 0.61 -0.54 0.88 -0.36 0.00 0.00 0.00 175.10 175.69 7i1b s PHE 42 N 2.23 3.25 -0.41 5.22 0.40 -0.42 -2.12 117.98 126.13 7i1b s PHE 42 Ca 0.09 0.61 0.04 0.00 -0.60 0.00 0.00 56.93 57.06 7i1b s PHE 42 Cb -0.15 -2.70 0.11 0.00 0.51 0.00 0.00 43.02 40.79 7i1b s PHE 42 CO -0.31 -0.79 0.13 0.45 0.70 0.00 0.00 175.22 175.41 7i1b s SER 43 N -4.30 4.59 0.10 1.36 0.15 0.47 -1.03 113.70 115.04 7i1b s SER 43 Ca 0.53 -2.50 -0.30 0.00 0.70 0.00 0.00 55.95 54.38 7i1b s SER 43 Cb -0.10 -1.63 -0.06 0.00 -1.71 0.00 0.00 66.02 62.51 7i1b s SER 43 CO 0.44 -0.32 1.19 -0.32 1.20 0.00 0.00 173.24 175.44 7i1b s MET 44 N 0.42 4.46 -0.09 5.44 1.75 0.18 -2.57 119.30 128.88 7i1b s MET 44 Ca 0.13 1.79 0.00 0.00 -1.25 0.00 0.00 55.69 56.36 7i1b s MET 44 Cb -0.22 -3.32 0.02 0.00 2.84 0.00 0.00 34.83 34.16 7i1b s MET 44 CO -0.05 -0.20 -0.07 -1.12 -0.65 0.00 0.00 175.02 172.93 7i1b s SER 45 N 0.78 1.92 -0.50 1.11 0.01 -0.70 0.26 113.70 116.59 7i1b s SER 45 Ca 0.57 -0.26 -0.28 0.00 1.31 0.00 0.00 55.95 57.29 7i1b s SER 45 Cb -0.30 -0.76 -0.00 0.00 0.21 0.00 0.00 66.02 65.16 7i1b s SER 45 CO 0.31 -0.09 1.63 -0.36 0.41 0.00 0.00 173.24 175.14 7i1b s PHE 46 N 1.44 2.02 0.41 2.43 0.08 -1.17 -1.40 117.98 121.79 7i1b s PHE 46 Ca -0.01 0.62 0.05 0.00 0.12 0.00 0.00 56.93 57.71 7i1b s PHE 46 Cb -0.13 -4.24 0.07 0.00 -0.57 0.00 0.00 43.02 38.15 7i1b s PHE 46 CO -0.05 -2.31 0.56 1.33 -0.10 0.00 0.00 175.22 174.65 7i1b n VAL 47 N 7.12 0.00 -3.57 -0.44 0.24 -0.90 -4.53 118.33 116.26 7i1b n VAL 47 Ca 0.18 -1.21 -0.32 0.00 -2.04 0.00 0.00 64.34 60.95 7i1b n VAL 47 Cb 0.49 -0.78 -0.05 0.00 -1.47 0.00 0.00 33.84 32.03 7i1b n VAL 47 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 7i1b s GLN 48 N -3.84 3.69 0.00 7.34 -2.07 -0.27 -4.75 119.66 119.76 7i1b s GLN 48 Ca 0.41 0.06 0.00 0.00 -1.82 0.00 0.00 55.36 54.01 7i1b s GLN 48 Cb -0.03 -2.76 0.00 0.00 -1.09 0.00 0.00 33.01 29.13 7i1b s GLN 48 CO 0.26 0.40 0.00 0.41 -1.32 0.00 0.00 175.29 175.05 7i1b n GLY 49 N -0.02 -0.75 3.53 2.60 0.00 -1.26 -4.73 105.19 104.56 7i1b n GLY 49 Ca -0.01 -1.06 -0.22 0.00 0.00 0.00 0.00 46.02 44.73 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 0.32 -2.66 1.61 -0.58 -1.26 -4.84 120.64 113.23 7i1b n GLU 50 Ca 0.00 -0.33 -0.42 0.00 -0.42 0.00 0.00 57.16 55.99 7i1b n GLU 50 Cb 0.00 -2.35 -0.03 0.00 -0.57 0.00 0.00 31.44 28.49 7i1b n GLU 50 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 7i1b s GLU 51 N 8.10 4.53 0.37 3.49 2.56 -1.26 -4.60 118.70 131.89 7i1b s GLU 51 Ca 1.14 1.48 -0.08 0.00 0.00 0.00 0.00 54.97 57.51 7i1b s GLU 51 Cb -0.55 -3.45 0.03 0.00 2.00 0.00 0.00 34.13 32.17 7i1b s GLU 51 CO 0.34 -0.10 0.62 0.45 -0.56 0.00 0.00 175.26 176.02 7i1b s SER 52 N 1.03 0.59 0.00 -1.70 0.15 -1.22 -5.03 113.70 107.52 7i1b s SER 52 Ca 0.53 -1.38 0.27 0.00 0.70 0.00 0.00 55.95 56.06 7i1b s SER 52 Cb -0.22 0.76 0.79 0.00 -1.71 0.00 0.00 66.02 65.64 7i1b s SER 52 CO 0.28 -1.50 1.59 -3.20 1.20 0.00 0.00 173.24 171.61 7i1b n ASN 53 N -1.51 1.06 -0.00 5.45 4.05 -1.26 -4.37 115.26 118.68 7i1b n ASN 53 Ca -0.03 -0.94 -0.00 0.00 0.45 0.00 0.00 54.58 54.05 7i1b n ASN 53 Cb 0.61 0.12 -0.00 0.00 1.23 0.00 0.00 39.78 41.73 7i1b n ASN 53 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 7i1b n ASP 54 N -0.57 1.45 -4.66 1.20 8.00 -1.26 -5.00 116.55 115.71 7i1b n ASP 54 Ca 0.13 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.24 7i1b n ASP 54 Cb 0.35 -0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.38 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 4.18 -0.44 -1.24 1.02 -1.26 -4.26 119.74 115.73 7i1b s LYS 55 Ca -0.00 0.41 0.02 0.00 0.02 0.00 0.00 55.97 56.43 7i1b s LYS 55 Cb 0.00 -3.57 0.12 0.00 -0.52 0.00 0.00 37.83 33.85 7i1b s LYS 55 CO 0.00 -0.18 0.18 0.42 -0.92 0.00 0.00 175.35 174.85 7i1b s ILE 56 N 1.74 2.66 0.06 2.17 -1.09 -1.00 -3.40 121.20 122.34 7i1b s ILE 56 Ca 0.24 -2.69 -0.30 0.00 -2.23 0.00 0.00 60.65 55.67 7i1b s ILE 56 Cb -0.15 -2.87 -0.09 0.00 -1.58 0.00 0.00 42.46 37.77 7i1b s ILE 56 CO 0.10 -0.70 1.77 -2.84 -1.23 0.00 0.00 174.94 172.03 7i1b s PRO 57 N 0.45 4.17 0.00 2.79 0.02 -1.26 -1.80 135.00 139.37 7i1b s PRO 57 Ca 0.13 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.59 7i1b s PRO 57 Cb -0.22 -3.78 0.00 0.00 0.02 0.00 0.00 34.50 30.52 7i1b s PRO 57 CO -0.04 -0.83 0.00 1.33 -0.33 0.00 0.00 177.00 177.13 7i1b n VAL 58 N 5.02 0.00 -3.71 3.83 0.24 -1.01 -2.12 118.33 120.58 7i1b n VAL 58 Ca 0.17 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.33 7i1b n VAL 58 Cb 0.40 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.63 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 -0.36 -0.38 2.33 0.00 -0.49 -2.52 121.76 118.33 7i1b s ALA 59 Ca 0.00 0.78 -0.14 0.00 0.00 0.00 0.00 51.96 52.60 7i1b s ALA 59 Cb 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 23.12 22.45 7i1b s ALA 59 CO 0.00 -0.34 0.27 -0.51 0.00 0.00 0.00 175.76 175.17 7i1b s LEU 60 N 1.66 4.86 -0.03 0.00 1.43 -1.26 -1.72 118.68 123.63 7i1b s LEU 60 Ca -0.05 -0.78 0.05 0.00 -1.03 0.00 0.00 54.13 52.33 7i1b s LEU 60 Cb -0.11 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 43.97 7i1b s LEU 60 CO -0.07 -0.38 -0.18 -0.83 0.23 0.00 0.00 176.35 175.13 7i1b s GLY 61 N 1.67 0.91 -0.27 -3.19 0.00 -1.06 -2.33 107.32 103.05 7i1b s GLY 61 Ca 0.05 -0.74 -0.28 0.00 0.00 0.00 0.00 44.72 43.75 7i1b s GLY 61 CO 0.09 -0.51 2.18 1.08 0.00 0.00 0.00 173.10 175.95 7i1b s LEU 62 N -0.20 3.44 0.24 0.66 1.43 -0.76 0.18 118.68 123.67 7i1b s LEU 62 Ca 0.02 1.71 -0.11 0.00 -1.03 0.00 0.00 54.13 54.71 7i1b s LEU 62 Cb -0.09 -3.40 0.34 0.00 0.03 0.00 0.00 46.19 43.07 7i1b s LEU 62 CO 0.01 -2.03 1.59 0.50 0.23 0.00 0.00 176.35 176.64 7i1b h LYS 63 N 15.27 -0.01 0.44 1.70 3.64 -1.67 -1.25 116.57 134.69 7i1b h LYS 63 Ca -0.38 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.99 7i1b h LYS 63 Cb 1.23 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 7i1b h LYS 63 CO 0.99 -0.01 -0.29 0.93 -2.27 0.00 0.00 179.45 178.81 7i1b h GLU 64 N -0.01 -0.68 0.00 1.90 5.08 -1.88 -3.45 114.58 115.55 7i1b h GLU 64 Ca 0.39 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 7i1b h GLU 64 Cb 0.60 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.01 7i1b h GLU 64 CO -0.85 -0.45 0.00 1.63 -1.00 0.00 0.00 179.01 178.34 7i1b n LYS 65 N -5.42 3.14 -2.30 2.33 4.76 -0.47 -5.05 118.16 115.15 7i1b n LYS 65 Ca -0.11 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.17 7i1b n LYS 65 Cb 0.32 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.54 7i1b n LYS 65 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 7i1b n ASN 66 N 0.00 3.80 -4.61 4.39 0.23 -1.26 -4.48 115.26 113.33 7i1b n ASN 66 Ca 0.00 -3.17 -0.39 0.00 -0.53 0.00 0.00 54.58 50.49 7i1b n ASN 66 Cb 0.00 -0.39 -0.09 0.00 -2.08 0.00 0.00 39.78 37.23 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 -3.67 4.05 -0.21 -4.53 1.43 -1.26 -2.69 118.68 111.80 7i1b s LEU 67 Ca 0.43 0.36 -0.05 0.00 -1.03 0.00 0.00 54.13 53.83 7i1b s LEU 67 Cb 0.38 -2.49 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 7i1b s LEU 67 CO 0.01 -0.20 0.01 -0.31 0.23 0.00 0.00 176.35 176.09 7i1b s TYR 68 N 2.08 3.05 0.47 0.29 1.51 -1.01 -1.83 117.35 121.92 7i1b s TYR 68 Ca 0.17 -0.46 -0.22 0.00 -1.01 0.00 0.00 57.07 55.55 7i1b s TYR 68 Cb -0.16 -2.11 -0.10 0.00 -0.11 0.00 0.00 41.96 39.49 7i1b s TYR 68 CO 0.10 -0.26 0.84 1.28 -1.11 0.00 0.00 175.55 176.40 7i1b n LEU 69 N 4.35 2.04 -3.73 -1.29 4.32 -0.98 -2.62 117.00 119.08 7i1b n LEU 69 Ca -0.17 0.93 -0.12 0.00 -0.02 0.00 0.00 56.01 56.63 7i1b n LEU 69 Cb 0.52 -1.29 -0.11 0.00 -1.62 0.00 0.00 43.42 40.92 7i1b n LEU 69 CO 0.31 -2.04 0.01 -0.94 -1.22 0.00 0.00 177.39 173.52 7i1b s SER 70 N -0.93 -0.40 -0.28 -1.43 1.04 0.93 -4.45 113.70 108.17 7i1b s SER 70 Ca 0.66 0.75 -0.21 0.00 0.48 0.00 0.00 55.95 57.63 7i1b s SER 70 Cb -0.53 0.70 -0.01 0.00 0.10 0.00 0.00 66.02 66.28 7i1b s SER 70 CO 0.55 -0.15 0.67 0.00 0.98 0.00 0.00 173.24 175.29 7i1b s VAL 72 N 2.65 0.96 0.05 0.00 -7.23 -0.98 -4.78 120.40 111.07 7i1b s VAL 72 Ca 0.27 -1.70 -0.27 0.00 -1.81 0.00 0.00 61.98 58.47 7i1b s VAL 72 Cb -0.15 -1.43 -0.05 0.00 0.56 0.00 0.00 36.38 35.31 7i1b s VAL 72 CO 0.10 -0.59 0.85 -0.76 -0.31 0.00 0.00 175.10 174.40 7i1b s LEU 73 N -2.55 4.44 -0.67 1.32 1.43 -1.26 -1.28 118.68 120.11 7i1b s LEU 73 Ca 0.07 1.57 0.05 0.00 -1.03 0.00 0.00 54.13 54.78 7i1b s LEU 73 Cb -0.02 -3.38 0.16 0.00 0.03 0.00 0.00 46.19 42.98 7i1b s LEU 73 CO -0.00 -0.07 0.46 -0.54 0.23 0.00 0.00 176.35 176.43 7i1b s LYS 74 N 0.21 2.32 0.00 1.70 1.02 0.60 -4.70 119.74 120.89 7i1b s LYS 74 Ca 0.43 -3.20 0.00 0.00 0.02 0.00 0.00 55.97 53.23 7i1b s LYS 74 Cb -0.21 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 33.80 7i1b s LYS 74 CO 0.25 -1.27 0.00 -0.25 -0.92 0.00 0.00 175.35 173.16 7i1b n ASP 75 N 2.15 -1.73 -0.14 2.83 8.00 -1.26 -3.53 116.55 122.87 7i1b n ASP 75 Ca 0.18 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.67 7i1b n ASP 75 Cb 0.35 -0.43 -0.01 0.00 -0.02 0.00 0.00 41.12 41.01 7i1b n ASP 75 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 7i1b n ASP 76 N -0.07 -4.79 -4.06 -2.24 8.00 -1.26 -4.97 116.55 107.16 7i1b n ASP 76 Ca 0.00 0.04 -0.32 0.00 0.71 0.00 0.00 54.79 55.23 7i1b n ASP 76 Cb 0.43 -2.45 -0.16 0.00 -0.02 0.00 0.00 41.12 38.93 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 -1.48 2.34 0.50 -1.24 2.20 -1.23 -5.08 119.74 115.74 7i1b s LYS 77 Ca 0.00 -1.06 -0.22 0.00 -0.36 0.00 0.00 55.97 54.34 7i1b s LYS 77 Cb 0.00 -2.66 -0.08 0.00 -1.51 0.00 0.00 37.83 33.58 7i1b s LYS 77 CO 0.00 -0.44 1.00 -2.30 -0.36 0.00 0.00 175.35 173.25 7i1b n PRO 78 N 4.56 1.22 -3.89 4.03 -0.02 -1.26 -0.29 135.00 139.34 7i1b n PRO 78 Ca -0.16 0.45 -0.09 0.00 -2.02 0.00 0.00 63.50 61.68 7i1b n PRO 78 Cb 0.45 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.78 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 -1.38 0.01 -0.13 3.45 2.01 -0.40 -4.75 115.64 114.45 7i1b s THR 79 Ca 0.68 -1.12 -0.05 0.00 0.31 0.00 0.00 61.69 61.50 7i1b s THR 79 Cb -0.49 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 7i1b s THR 79 CO 0.53 -0.03 0.06 -0.22 -0.69 0.00 0.00 174.62 174.27 7i1b s LEU 80 N -2.95 3.88 0.01 4.42 2.96 -1.26 -2.32 118.68 123.42 7i1b s LEU 80 Ca 0.16 0.21 -0.23 0.00 -0.22 0.00 0.00 54.13 54.05 7i1b s LEU 80 Cb -0.02 -1.94 0.05 0.00 0.50 0.00 0.00 46.19 44.78 7i1b s LEU 80 CO 0.05 0.31 0.51 -1.58 -1.32 0.00 0.00 176.35 174.33 7i1b s GLN 81 N -0.48 0.95 -0.07 1.98 2.00 -0.84 -4.81 119.66 118.40 7i1b s GLN 81 Ca 0.10 -0.11 -0.16 0.00 -2.00 0.00 0.00 55.36 53.20 7i1b s GLN 81 Cb -0.12 0.44 -0.05 0.00 0.80 0.00 0.00 33.01 34.08 7i1b s GLN 81 CO 0.02 -0.32 0.41 -0.51 -0.50 0.00 0.00 175.29 174.40 7i1b s LEU 82 N -1.63 4.36 -0.07 3.68 1.43 -1.26 -0.05 118.68 125.13 7i1b s LEU 82 Ca -0.09 0.83 -0.00 0.00 -1.03 0.00 0.00 54.13 53.84 7i1b s LEU 82 Cb -0.01 -2.59 0.02 0.00 0.03 0.00 0.00 46.19 43.64 7i1b s LEU 82 CO 0.03 0.17 -0.04 -0.70 0.23 0.00 0.00 176.35 176.04 7i1b s GLU 83 N -0.19 0.96 -0.08 1.70 2.12 -1.08 -4.94 118.70 117.20 7i1b s GLU 83 Ca 0.23 -0.07 -0.30 0.00 0.36 0.00 0.00 54.97 55.20 7i1b s GLU 83 Cb -0.15 -1.12 -0.05 0.00 0.26 0.00 0.00 34.13 33.07 7i1b s GLU 83 CO 0.11 -0.22 1.69 -1.54 -0.54 0.00 0.00 175.26 174.76 7i1b s SER 84 N 1.55 6.57 0.14 -1.70 1.04 -1.26 -2.40 113.70 117.64 7i1b s SER 84 Ca -0.00 2.17 0.00 0.00 0.48 0.00 0.00 55.95 58.59 7i1b s SER 84 Cb -0.13 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.46 7i1b s SER 84 CO -0.04 -1.02 0.00 1.33 0.98 0.00 0.00 173.24 174.49 7i1b n VAL 85 N 5.69 0.00 -3.05 5.02 0.24 -1.09 -4.98 118.33 120.17 7i1b n VAL 85 Ca 0.18 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.06 7i1b n VAL 85 Cb 0.43 -1.33 -0.06 0.00 -1.47 0.00 0.00 33.84 31.41 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 6.47 0.00 -1.34 -1.08 -1.26 -4.90 116.67 113.56 7i1b s ASP 86 Ca 0.00 0.21 0.08 0.00 -0.52 0.00 0.00 52.55 52.32 7i1b s ASP 86 Cb 0.00 -2.36 0.37 0.00 -1.46 0.00 0.00 42.92 39.47 7i1b s ASP 86 CO 0.00 -0.66 1.21 -0.81 0.52 0.00 0.00 175.17 175.43 7i1b n PRO 87 N 6.21 0.04 -0.06 4.34 -0.04 -1.26 -0.65 135.00 143.58 7i1b n PRO 87 Ca 0.01 0.30 -0.21 0.00 -0.04 0.00 0.00 63.50 63.56 7i1b n PRO 87 Cb 0.48 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.32 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 0.09 0.54 4.76 -1.26 -4.49 118.16 117.08 7i1b n LYS 88 Ca 0.03 0.25 -0.23 0.00 -2.87 0.00 0.00 58.31 55.49 7i1b n LYS 88 Cb 0.08 -1.63 -0.15 0.00 -1.84 0.00 0.00 35.03 31.49 7i1b n LYS 88 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 7i1b h ASN 89 N -0.12 0.67 -3.11 4.39 2.35 -1.90 -3.46 115.58 114.40 7i1b h ASN 89 Ca -0.49 -0.92 -0.57 0.00 -0.55 0.00 0.00 56.30 53.76 7i1b h ASN 89 Cb 1.90 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 40.02 7i1b h ASN 89 CO -0.03 1.77 -0.32 -0.31 -1.65 0.00 0.00 177.43 176.88 7i1b s TYR 90 N -2.58 3.48 0.41 1.19 2.02 0.17 -3.83 117.35 118.20 7i1b s TYR 90 Ca -0.14 0.51 -0.24 0.00 -0.37 0.00 0.00 57.07 56.83 7i1b s TYR 90 Cb 0.05 -1.97 -0.09 0.00 -0.40 0.00 0.00 41.96 39.55 7i1b s TYR 90 CO 0.88 0.43 1.05 -1.25 -1.57 0.00 0.00 175.55 175.08 7i1b s PRO 91 N -2.77 4.14 0.03 -1.71 0.04 -1.26 -4.50 135.00 128.97 7i1b s PRO 91 Ca 0.40 1.49 0.02 0.00 0.04 0.00 0.00 61.00 62.95 7i1b s PRO 91 Cb -0.12 -2.50 -0.02 0.00 0.04 0.00 0.00 34.50 31.90 7i1b s PRO 91 CO 0.26 -0.16 -0.07 0.21 0.04 0.00 0.00 177.00 177.28 7i1b s LYS 92 N -2.57 0.49 0.63 4.56 2.20 -1.25 -5.00 119.74 118.79 7i1b s LYS 92 Ca 0.59 -0.63 0.26 0.00 -0.36 0.00 0.00 55.97 55.82 7i1b s LYS 92 Cb -0.21 -0.28 1.35 0.00 -1.51 0.00 0.00 37.83 37.17 7i1b s LYS 92 CO 0.27 0.05 1.77 1.57 -0.36 0.00 0.00 175.35 178.65 7i1b h LYS 93 N 4.81 0.00 -6.34 4.03 2.10 -1.92 -3.39 116.57 115.85 7i1b h LYS 93 Ca -0.34 0.00 -0.65 0.00 -2.00 0.00 0.00 60.65 57.66 7i1b h LYS 93 Cb 1.20 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 32.41 7i1b h LYS 93 CO 0.43 0.00 -0.66 0.21 -2.00 0.00 0.00 179.45 177.43 7i1b s LYS 94 N -4.33 2.56 -0.15 0.07 2.47 -1.26 -1.12 119.74 117.99 7i1b s LYS 94 Ca -0.03 -0.83 -0.07 0.00 -1.56 0.00 0.00 55.97 53.47 7i1b s LYS 94 Cb 0.11 -2.55 0.06 0.00 -1.46 0.00 0.00 37.83 33.99 7i1b s LYS 94 CO 0.38 0.54 0.34 -1.64 0.16 0.00 0.00 175.35 175.13 7i1b s MET 95 N -2.31 0.30 0.63 4.03 -1.94 -1.26 -4.99 119.30 113.76 7i1b s MET 95 Ca 0.26 0.73 -0.17 0.00 -1.71 0.00 0.00 55.69 54.80 7i1b s MET 95 Cb -0.12 -0.02 -0.06 0.00 2.01 0.00 0.00 34.83 36.65 7i1b s MET 95 CO 0.18 -0.18 0.63 0.39 -0.01 0.00 0.00 175.02 176.03 7i1b n GLU 96 N 4.50 0.51 -0.10 2.03 -0.58 -1.26 -4.55 120.64 121.19 7i1b n GLU 96 Ca -0.20 0.21 0.25 0.00 -0.42 0.00 0.00 57.16 57.00 7i1b n GLU 96 Cb 0.53 -1.85 0.71 0.00 -0.57 0.00 0.00 31.44 30.27 7i1b n GLU 96 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 7i1b h LYS 97 N 0.07 0.00 -0.90 3.49 1.79 -1.94 0.98 116.57 120.05 7i1b h LYS 97 Ca -0.46 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.06 7i1b h LYS 97 Cb 1.37 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.97 7i1b h LYS 97 CO 0.46 0.00 0.59 0.00 -1.08 0.00 0.00 179.45 179.42 7i1b h ARG 98 N 0.00 1.02 -0.01 3.15 3.08 -1.86 -1.97 114.38 117.79 7i1b h ARG 98 Ca 0.35 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.34 7i1b h ARG 98 Cb 1.44 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.26 7i1b h ARG 98 CO -0.00 0.68 -0.59 1.19 -1.07 0.00 0.00 179.97 180.17 7i1b n PHE 99 N -4.48 0.00 -2.90 3.04 3.72 0.27 -1.62 117.46 115.49 7i1b n PHE 99 Ca 0.13 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.12 7i1b n PHE 99 Cb 0.17 -0.07 -0.04 0.00 -0.94 0.00 0.00 39.48 38.61 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 -2.72 4.87 -0.21 -4.37 1.01 -0.74 -4.49 120.40 113.75 7i1b s VAL 100 Ca 0.15 1.59 0.01 0.00 0.00 0.00 0.00 61.98 63.74 7i1b s VAL 100 Cb 0.18 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.47 7i1b s VAL 100 CO 0.67 -0.00 -0.16 -0.36 0.00 0.00 0.00 175.10 175.25 7i1b s PHE 101 N 2.36 2.96 -0.49 5.22 0.40 -1.05 -2.26 117.98 125.12 7i1b s PHE 101 Ca 0.37 -1.85 -0.28 0.00 -0.60 0.00 0.00 56.93 54.56 7i1b s PHE 101 Cb -0.16 -1.94 0.02 0.00 0.51 0.00 0.00 43.02 41.45 7i1b s PHE 101 CO 0.11 -0.82 1.33 -0.80 0.70 0.00 0.00 175.22 175.73 7i1b s ASN 102 N 1.23 6.35 -0.33 1.36 -0.87 -1.01 -2.42 114.94 119.26 7i1b s ASN 102 Ca 0.00 0.50 -0.29 0.00 -1.57 0.00 0.00 52.86 51.50 7i1b s ASN 102 Cb -0.16 -2.55 0.01 0.00 -0.02 0.00 0.00 41.25 38.54 7i1b s ASN 102 CO -0.10 -1.49 1.14 -0.75 -2.57 0.00 0.00 177.10 173.34 7i1b s LYS 103 N 5.01 4.00 0.17 -0.60 2.20 -0.74 -2.67 119.74 127.11 7i1b s LYS 103 Ca 0.54 1.08 0.05 0.00 -0.36 0.00 0.00 55.97 57.28 7i1b s LYS 103 Cb -0.11 -3.79 -0.04 0.00 -1.51 0.00 0.00 37.83 32.39 7i1b s LYS 103 CO 0.29 -1.00 0.14 0.42 -0.36 0.00 0.00 175.35 174.85 7i1b s ILE 104 N 3.90 4.46 -0.12 5.43 1.01 0.48 -2.36 121.20 133.99 7i1b s ILE 104 Ca 0.48 -1.13 0.01 0.00 0.00 0.00 0.00 60.65 60.01 7i1b s ILE 104 Cb -0.13 -3.29 -0.01 0.00 0.01 0.00 0.00 42.46 39.04 7i1b s ILE 104 CO 0.19 -0.14 -0.15 -1.61 0.00 0.00 0.00 174.94 173.23 7i1b s GLU 105 N -3.18 3.28 -0.26 2.79 8.01 -1.26 -0.75 118.70 127.32 7i1b s GLU 105 Ca 0.31 -0.72 -0.04 0.00 0.01 0.00 0.00 54.97 54.53 7i1b s GLU 105 Cb -0.10 -2.56 0.09 0.00 -4.31 0.00 0.00 34.13 27.26 7i1b s GLU 105 CO 0.23 0.23 0.13 0.42 0.01 0.00 0.00 175.26 176.28 7i1b s ILE 106 N 0.28 -0.08 -1.24 -1.63 1.01 0.73 -4.87 121.20 115.39 7i1b s ILE 106 Ca -0.11 -0.61 -0.05 0.00 0.00 0.00 0.00 60.65 59.89 7i1b s ILE 106 Cb -0.16 -0.88 0.01 0.00 0.01 0.00 0.00 42.46 41.43 7i1b s ILE 106 CO 0.06 -0.61 1.07 -3.20 0.00 0.00 0.00 174.94 172.25 7i1b n ASN 107 N 5.26 -4.23 0.00 3.58 2.85 -1.26 -1.47 115.26 119.98 7i1b n ASN 107 Ca -0.06 -0.56 0.00 0.00 -0.11 0.00 0.00 54.58 53.85 7i1b n ASN 107 Cb 0.44 -4.95 0.00 0.00 1.24 0.00 0.00 39.78 36.51 7i1b n ASN 107 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 7i1b n ASN 108 N -2.97 -0.53 -4.87 1.20 5.15 -1.26 -5.00 115.26 106.98 7i1b n ASN 108 Ca -0.13 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 53.58 7i1b n ASN 108 Cb 0.61 -0.55 -0.04 0.00 -0.53 0.00 0.00 39.78 39.27 7i1b n ASN 108 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 7i1b s LYS 109 N -0.21 3.16 0.08 1.20 -0.14 -0.55 -4.98 119.74 118.29 7i1b s LYS 109 Ca 0.00 -0.72 0.03 0.00 -1.36 0.00 0.00 55.97 53.92 7i1b s LYS 109 Cb 0.00 -2.81 -0.04 0.00 -1.68 0.00 0.00 37.83 33.30 7i1b s LYS 109 CO 0.00 0.51 0.09 -0.51 -0.76 0.00 0.00 175.35 174.68 7i1b s LEU 110 N -3.08 3.84 -0.07 3.17 1.43 0.23 -0.19 118.68 124.00 7i1b s LEU 110 Ca 0.33 0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.41 7i1b s LEU 110 Cb -0.11 -2.51 0.04 0.00 0.03 0.00 0.00 46.19 43.65 7i1b s LEU 110 CO 0.26 0.18 0.12 -1.61 0.23 0.00 0.00 176.35 175.52 7i1b s GLU 111 N -2.38 -0.01 -0.36 1.70 2.02 0.07 0.54 118.70 120.28 7i1b s GLU 111 Ca 0.29 0.49 -0.13 0.00 0.02 0.00 0.00 54.97 55.64 7i1b s GLU 111 Cb -0.12 -0.36 -0.01 0.00 0.10 0.00 0.00 34.13 33.74 7i1b s GLU 111 CO 0.22 -0.31 0.26 -0.06 0.02 0.00 0.00 175.26 175.38 7i1b s PHE 112 N 2.22 3.23 -0.11 1.61 0.08 -1.26 -0.39 117.98 123.37 7i1b s PHE 112 Ca 0.04 -0.32 -0.04 0.00 0.12 0.00 0.00 56.93 56.73 7i1b s PHE 112 Cb -0.12 -2.51 -0.04 0.00 -0.57 0.00 0.00 43.02 39.79 7i1b s PHE 112 CO -0.05 -0.42 0.06 -1.83 -0.10 0.00 0.00 175.22 172.88 7i1b s GLU 113 N 1.71 3.23 -0.22 0.44 -1.05 -1.09 -2.49 118.70 119.22 7i1b s GLU 113 Ca 0.06 -0.30 -0.29 0.00 -0.15 0.00 0.00 54.97 54.29 7i1b s GLU 113 Cb -0.18 -2.97 -0.04 0.00 -0.44 0.00 0.00 34.13 30.50 7i1b s GLU 113 CO 0.10 0.69 1.91 0.45 0.95 0.00 0.00 175.26 179.37 7i1b s SER 114 N -0.83 5.93 0.56 0.83 0.15 -0.33 -2.39 113.70 117.61 7i1b s SER 114 Ca 0.13 1.75 0.34 0.00 0.70 0.00 0.00 55.95 58.86 7i1b s SER 114 Cb -0.12 -2.52 1.83 0.00 -1.71 0.00 0.00 66.02 63.50 7i1b s SER 114 CO 0.03 -1.60 2.02 0.00 1.20 0.00 0.00 173.24 174.89 7i1b h ALA 115 N 12.79 1.08 0.00 5.45 0.00 -1.65 -2.29 119.26 134.64 7i1b h ALA 115 Ca -0.38 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 7i1b h ALA 115 Cb 1.20 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 7i1b h ALA 115 CO 0.99 -0.08 -0.66 0.37 0.00 0.00 0.00 179.25 179.86 7i1b h GLN 116 N 0.00 0.00 -3.71 0.00 -0.00 -1.79 -3.43 115.11 106.18 7i1b h GLN 116 Ca 0.00 0.00 -0.70 0.00 -0.00 0.00 0.00 58.65 57.95 7i1b h GLN 116 Cb 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 27.48 27.32 7i1b h GLN 116 CO 0.00 0.89 -0.38 -0.06 0.00 0.00 0.00 178.83 179.27 7i1b s PHE 117 N -2.26 3.43 0.65 3.99 0.08 -0.87 -5.09 117.98 117.93 7i1b s PHE 117 Ca -0.23 -2.67 -0.18 0.00 0.12 0.00 0.00 56.93 53.98 7i1b s PHE 117 Cb 0.02 -3.21 -0.01 0.00 -0.57 0.00 0.00 43.02 39.25 7i1b s PHE 117 CO 0.58 -0.86 1.24 -2.30 -0.10 0.00 0.00 175.22 173.78 7i1b n PRO 118 N 3.63 1.03 0.00 0.24 -0.02 -1.21 -2.20 135.00 136.47 7i1b n PRO 118 Ca 0.06 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 7i1b n PRO 118 Cb 0.38 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 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 -1.84 0.00 -4.35 2.55 5.03 -1.26 -5.00 115.26 110.39 7i1b n ASN 119 Ca 0.16 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.24 7i1b n ASN 119 Cb 0.48 0.00 -0.13 0.00 -1.02 0.00 0.00 39.78 39.11 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 -2.69 3.09 0.50 3.10 0.52 -0.93 -4.55 118.94 117.98 7i1b s TRP 120 Ca 0.00 -0.89 0.03 0.00 0.02 0.00 0.00 56.10 55.26 7i1b s TRP 120 Cb 0.00 -2.21 -0.01 0.00 -1.15 0.00 0.00 33.47 30.11 7i1b s TRP 120 CO 0.00 -0.54 0.14 0.71 0.02 0.00 0.00 176.95 177.29 7i1b s TYR 121 N 1.51 1.91 -0.26 -1.98 1.51 -0.93 -1.19 117.35 117.92 7i1b s TYR 121 Ca 0.04 -0.86 -0.26 0.00 -1.01 0.00 0.00 57.07 54.98 7i1b s TYR 121 Cb -0.16 -1.75 0.00 0.00 -0.11 0.00 0.00 41.96 39.94 7i1b s TYR 121 CO 0.01 0.02 0.90 0.42 -1.11 0.00 0.00 175.55 175.80 7i1b s ILE 122 N -2.81 4.75 0.23 2.71 1.01 -1.04 -1.29 121.20 124.77 7i1b s ILE 122 Ca 0.20 1.64 0.10 0.00 0.00 0.00 0.00 60.65 62.59 7i1b s ILE 122 Cb 0.01 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 7i1b s ILE 122 CO 0.12 -0.18 -0.10 -0.44 0.00 0.00 0.00 174.94 174.34 7i1b s SER 123 N 1.39 4.14 0.11 3.58 0.01 -0.10 -4.34 113.70 118.48 7i1b s SER 123 Ca 0.38 -0.71 0.02 0.00 1.31 0.00 0.00 55.95 56.95 7i1b s SER 123 Cb -0.15 -0.63 -0.04 0.00 0.21 0.00 0.00 66.02 65.41 7i1b s SER 123 CO 0.09 0.06 -0.07 0.42 0.41 0.00 0.00 173.24 174.15 7i1b s THR 124 N -2.05 0.78 -0.26 1.44 -4.23 -0.80 -2.64 115.64 107.87 7i1b s THR 124 Ca 0.27 -1.95 -0.08 0.00 -1.18 0.00 0.00 61.69 58.76 7i1b s THR 124 Cb -0.07 -1.71 -0.02 0.00 1.34 0.00 0.00 72.50 72.04 7i1b s THR 124 CO 0.16 -0.85 0.09 -0.55 -0.54 0.00 0.00 174.62 172.93 7i1b s SER 125 N -3.05 5.23 0.53 3.99 0.15 -1.26 -2.59 113.70 116.69 7i1b s SER 125 Ca 0.13 -0.28 0.33 0.00 0.70 0.00 0.00 55.95 56.82 7i1b s SER 125 Cb 0.05 -1.94 1.49 0.00 -1.71 0.00 0.00 66.02 63.91 7i1b s SER 125 CO -0.04 -0.07 1.84 -0.61 1.20 0.00 0.00 173.24 175.56 7i1b h GLN 126 N 8.26 0.03 -6.27 5.44 4.15 -1.95 -3.42 115.11 121.35 7i1b h GLN 126 Ca -0.37 -0.00 -0.49 0.00 0.77 0.00 0.00 58.65 58.56 7i1b h GLN 126 Cb 1.17 -0.01 0.25 0.00 0.21 0.00 0.00 27.48 29.10 7i1b h GLN 126 CO 0.58 0.02 -1.94 0.00 -1.93 0.00 0.00 178.83 175.56 7i1b n ALA 127 N -2.72 -5.03 -2.34 3.38 0.00 -1.26 -4.90 120.51 107.63 7i1b n ALA 127 Ca 0.22 -1.19 -0.38 0.00 0.00 0.00 0.00 53.44 52.09 7i1b n ALA 127 Cb 1.09 -1.14 -0.06 0.00 0.00 0.00 0.00 19.45 19.34 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 -2.56 4.09 -0.42 0.00 8.01 -1.26 -4.58 118.70 121.98 7i1b s GLU 128 Ca 0.44 0.61 -0.22 0.00 0.01 0.00 0.00 54.97 55.82 7i1b s GLU 128 Cb -0.03 -3.17 0.03 0.00 -4.31 0.00 0.00 34.13 26.65 7i1b s GLU 128 CO 0.69 0.62 0.58 0.09 0.01 0.00 0.00 175.26 177.25 7i1b n ASN 129 N 1.54 -7.24 -3.72 -0.19 3.02 -1.26 -5.04 115.26 102.37 7i1b n ASN 129 Ca -0.10 0.37 -0.14 0.00 -0.03 0.00 0.00 54.58 54.69 7i1b n ASN 129 Cb 0.51 -4.25 -0.14 0.00 -0.61 0.00 0.00 39.78 35.29 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 -2.49 0.12 0.60 3.52 1.75 -1.26 -5.03 119.30 116.52 7i1b s MET 130 Ca 0.27 0.48 -0.19 0.00 -1.25 0.00 0.00 55.69 55.01 7i1b s MET 130 Cb -0.06 -0.16 -0.03 0.00 2.84 0.00 0.00 34.83 37.42 7i1b s MET 130 CO 0.79 -0.20 1.27 -1.25 -0.65 0.00 0.00 175.02 174.99 7i1b s PRO 131 N 1.47 2.84 0.69 4.11 0.04 -1.26 -2.66 135.00 140.23 7i1b s PRO 131 Ca -0.07 2.01 -0.11 0.00 0.04 0.00 0.00 61.00 62.87 7i1b s PRO 131 Cb -0.11 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.47 7i1b s PRO 131 CO -0.07 -1.36 1.06 0.08 0.04 0.00 0.00 177.00 176.75 7i1b s VAL 132 N -1.45 4.06 0.32 -0.36 1.01 -1.03 -4.77 120.40 118.19 7i1b s VAL 132 Ca 0.78 0.67 -0.18 0.00 0.00 0.00 0.00 61.98 63.25 7i1b s VAL 132 Cb -0.35 -3.43 0.06 0.00 0.00 0.00 0.00 36.38 32.66 7i1b s VAL 132 CO 0.39 -0.87 0.87 0.72 0.00 0.00 0.00 175.10 176.20 7i1b s PHE 133 N -3.06 0.10 -0.21 5.22 -0.71 -1.08 -4.85 117.98 113.38 7i1b s PHE 133 Ca 0.58 -0.69 -0.08 0.00 -1.04 0.00 0.00 56.93 55.70 7i1b s PHE 133 Cb -0.14 0.79 -0.04 0.00 -1.21 0.00 0.00 43.02 42.43 7i1b s PHE 133 CO 0.55 -1.36 0.09 -1.17 -1.34 0.00 0.00 175.22 171.99 7i1b s LEU 134 N -3.17 3.84 0.03 -1.99 2.96 -1.26 -0.93 118.68 118.16 7i1b s LEU 134 Ca 0.17 0.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 7i1b s LEU 134 Cb -0.04 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 7i1b s LEU 134 CO 0.09 0.11 -0.07 -0.83 -1.32 0.00 0.00 176.35 174.33 7i1b s GLY 135 N 0.77 0.43 -0.86 7.98 0.00 -0.41 -4.66 107.32 110.57 7i1b s GLY 135 Ca 0.05 -0.61 -0.03 0.00 0.00 0.00 0.00 44.72 44.13 7i1b s GLY 135 CO 0.02 -0.64 2.27 0.61 0.00 0.00 0.00 173.10 175.37 7i1b n GLY 136 N 1.89 5.25 2.70 0.20 0.00 -1.26 -2.18 105.19 111.79 7i1b n GLY 136 Ca -0.20 -2.25 -0.26 0.00 0.00 0.00 0.00 46.02 43.31 7i1b n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 7i1b s THR 137 N -3.37 0.28 -0.23 2.61 2.01 -1.26 -5.00 115.64 110.67 7i1b s THR 137 Ca 0.52 -0.31 -0.14 0.00 0.31 0.00 0.00 61.69 62.07 7i1b s THR 137 Cb 0.32 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 72.01 7i1b s THR 137 CO -0.24 -0.16 0.34 -0.54 -0.69 0.00 0.00 174.62 173.32 7i1b s LYS 138 N 1.98 4.10 6.79 4.92 1.02 -1.26 -4.71 119.74 132.57 7i1b s LYS 138 Ca 0.01 0.04 0.00 0.00 0.02 0.00 0.00 55.97 56.04 7i1b s LYS 138 Cb -0.16 -3.58 0.00 0.00 -0.52 0.00 0.00 37.83 33.57 7i1b s LYS 138 CO -0.08 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.66 7i1b n GLY 139 N 4.27 1.57 7.00 -3.33 0.00 -1.25 -4.91 105.19 108.54 7i1b n GLY 139 Ca -0.10 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 3.53 0.08 -0.02 0.00 -1.26 -2.35 105.19 105.17 7i1b n GLY 140 Ca 0.00 0.23 -0.09 0.00 0.00 0.00 0.00 46.02 46.16 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 13.30 1.26 -2.53 1.61 0.00 -1.26 -4.95 117.38 124.81 7i1b n GLN 141 Ca 0.00 0.01 -0.41 0.00 -0.00 0.00 0.00 57.00 56.60 7i1b n GLN 141 Cb 0.00 -1.41 -0.04 0.00 0.00 0.00 0.00 30.24 28.79 7i1b n GLN 141 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 7i1b s ASP 142 N -5.11 7.25 -0.51 1.69 1.11 -0.99 -4.75 116.67 115.36 7i1b s ASP 142 Ca -0.11 2.02 -0.23 0.00 0.18 0.00 0.00 52.55 54.42 7i1b s ASP 142 Cb 0.05 -2.59 0.04 0.00 1.07 0.00 0.00 42.92 41.49 7i1b s ASP 142 CO 0.64 -0.26 0.81 -0.63 1.18 0.00 0.00 175.17 176.90 7i1b s ILE 143 N 0.15 4.59 -0.12 0.77 1.01 -1.07 -3.90 121.20 122.62 7i1b s ILE 143 Ca 0.51 0.14 0.19 0.00 0.00 0.00 0.00 60.65 61.49 7i1b s ILE 143 Cb -0.28 -4.41 -0.25 0.00 0.01 0.00 0.00 42.46 37.52 7i1b s ILE 143 CO 0.33 -0.92 0.39 0.35 0.00 0.00 0.00 174.94 175.10 7i1b n THR 144 N 6.03 0.87 -0.95 2.92 -2.24 -1.26 -1.91 114.28 117.74 7i1b n THR 144 Ca -0.00 -0.70 -0.30 0.00 -2.27 0.00 0.00 64.05 60.79 7i1b n THR 144 Cb 0.47 -0.37 0.17 0.00 -2.10 0.00 0.00 70.33 68.50 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 -5.23 2.79 0.37 3.42 1.47 -1.26 -4.53 116.67 113.70 7i1b s ASP 145 Ca -0.08 1.65 -0.10 0.00 1.18 0.00 0.00 52.55 55.21 7i1b s ASP 145 Cb 0.09 -2.29 0.04 0.00 -0.34 0.00 0.00 42.92 40.42 7i1b s ASP 145 CO 0.85 -3.09 0.65 0.49 0.68 0.00 0.00 175.17 174.75 7i1b n PHE 146 N -4.19 -1.99 -3.56 2.11 3.72 0.19 -4.59 117.46 109.14 7i1b n PHE 146 Ca 0.07 -1.98 -0.05 0.00 -0.05 0.00 0.00 57.45 55.44 7i1b n PHE 146 Cb 0.54 0.76 -0.07 0.00 -0.94 0.00 0.00 39.48 39.78 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 -2.39 -0.79 0.23 4.37 -4.23 -0.20 -0.60 115.64 112.03 7i1b s THR 147 Ca 0.20 0.07 0.04 0.00 -1.18 0.00 0.00 61.69 60.82 7i1b s THR 147 Cb -0.03 -0.82 -0.03 0.00 1.34 0.00 0.00 72.50 72.95 7i1b s THR 147 CO 0.15 0.02 0.36 0.00 -0.54 0.00 0.00 174.62 174.61 7i1b s MET 148 N 2.72 3.45 -0.09 3.99 0.23 -1.26 -1.22 119.30 127.11 7i1b s MET 148 Ca 0.01 -0.69 -0.04 0.00 -1.03 0.00 0.00 55.69 53.94 7i1b s MET 148 Cb -0.13 -2.89 0.05 0.00 -1.53 0.00 0.00 34.83 30.33 7i1b s MET 148 CO -0.16 0.43 0.20 -1.14 -2.03 0.00 0.00 175.02 172.32 7i1b s GLN 149 N -3.84 0.12 0.18 3.16 0.74 -0.89 -4.97 119.66 114.16 7i1b s GLN 149 Ca 0.35 0.54 -0.32 0.00 0.05 0.00 0.00 55.36 55.97 7i1b s GLN 149 Cb -0.09 -0.15 -0.12 0.00 1.10 0.00 0.00 33.01 33.74 7i1b s GLN 149 CO 0.29 -0.22 1.73 1.19 -0.55 0.00 0.00 175.29 177.73 7i1b n PHE 150 N 4.68 2.66 -3.68 1.67 3.01 -1.26 -2.52 117.46 122.01 7i1b n PHE 150 Ca -0.17 0.03 -0.27 0.00 1.01 0.00 0.00 57.45 58.04 7i1b n PHE 150 Cb 0.51 -2.67 -0.03 0.00 -0.01 0.00 0.00 39.48 37.28 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 1.49 5.20 0.28 -4.37 -7.23 -0.90 -4.94 120.40 109.92 7i1b s VAL 151 Ca 0.77 -0.35 -0.01 0.00 -1.81 0.00 0.00 61.98 60.58 7i1b s VAL 151 Cb -0.53 -3.73 0.06 0.00 0.56 0.00 0.00 36.38 32.74 7i1b s VAL 151 CO 0.34 -0.18 0.38 -1.20 -0.31 0.00 0.00 175.10 174.14 7i1b n SER 152 N -0.67 0.42 0.00 4.85 7.64 -1.26 -4.93 113.62 119.66 7i1b n SER 152 Ca -0.05 -1.37 0.00 0.00 1.01 0.00 0.00 58.87 58.46 7i1b n SER 152 Cb 0.54 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 7i1b n SER 152 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49