#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8t h PRO 2 N 0.00 -0.08 0.00 0.03 0.13 -2.15 -3.49 132.00 126.45 1b8t h PRO 2 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1b8t h PRO 2 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 1b8t h PRO 2 CO 0.00 0.53 0.00 0.27 -0.23 0.00 0.00 178.00 178.57 1b8t n ASN 3 N -4.79 0.00 -4.98 1.44 0.23 -1.26 -5.17 115.26 100.73 1b8t n ASN 3 Ca -0.08 0.00 -0.20 0.00 -0.53 0.00 0.00 54.58 53.77 1b8t n ASN 3 Cb 0.31 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.00 1b8t n ASN 3 CO 0.00 0.00 0.00 -1.66 -0.93 0.00 0.00 177.26 174.67 1b8t s TRP 4 N -2.00 3.31 0.00 -2.53 -2.14 -1.26 -5.13 118.94 109.19 1b8t s TRP 4 Ca 0.00 -0.08 0.00 0.00 2.66 0.00 0.00 56.10 58.68 1b8t s TRP 4 Cb 0.00 -1.78 0.00 0.00 -3.10 0.00 0.00 33.47 28.59 1b8t s TRP 4 CO 0.00 0.22 0.00 0.41 -2.66 0.00 0.00 176.95 174.92 1b8t n GLY 5 N -1.54 4.06 0.00 3.67 0.00 -1.26 -5.15 105.19 104.97 1b8t n GLY 5 Ca -0.05 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.84 1b8t n GLY 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b8t n GLY 6 N 5.00 3.41 0.26 -0.02 0.00 -1.26 -5.03 105.19 107.55 1b8t n GLY 6 Ca 0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 1b8t n GLY 6 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1b8t h GLY 7 N 0.00 -0.20 0.00 -0.02 0.00 -1.50 -3.47 103.07 97.87 1b8t h GLY 7 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1b8t h GLY 7 CO 0.00 -0.19 0.00 1.17 0.00 0.00 0.00 176.54 177.52 1b8t n LYS 8 N -5.36 0.00 -2.15 4.80 4.81 0.83 -4.77 118.16 116.32 1b8t n LYS 8 Ca -0.02 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.00 1b8t n LYS 8 Cb 0.27 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.30 1b8t n LYS 8 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1b8t s LYS 9 N -1.96 4.32 -0.47 1.64 -2.85 -1.26 0.22 119.74 119.38 1b8t s LYS 9 Ca 0.00 2.11 -0.25 0.00 -1.00 0.00 0.00 55.97 56.84 1b8t s LYS 9 Cb 0.00 -3.22 0.03 0.00 -2.06 0.00 0.00 37.83 32.58 1b8t s LYS 9 CO 0.00 -0.42 0.90 0.00 0.10 0.00 0.00 175.35 175.93 1b8t n GLY 11 N 4.96 -1.00 0.07 0.00 0.00 -1.25 -0.19 105.19 107.78 1b8t n GLY 11 Ca 0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1b8t n GLY 11 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1b8t n VAL 12 N -0.62 0.51 0.11 1.61 0.31 -1.26 -4.64 118.33 114.35 1b8t n VAL 12 Ca 0.06 0.37 -0.01 0.00 -0.01 0.00 0.00 64.34 64.74 1b8t n VAL 12 Cb 0.03 -1.77 -0.03 0.00 -0.91 0.00 0.00 33.84 31.16 1b8t n VAL 12 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b8t n GLN 14 N -3.27 0.00 -4.53 0.00 7.27 0.73 -5.07 117.38 112.51 1b8t n GLN 14 Ca 0.01 0.06 -0.29 0.00 0.07 0.00 0.00 57.00 56.86 1b8t n GLN 14 Cb 0.81 -2.39 -0.13 0.00 2.41 0.00 0.00 30.24 30.94 1b8t n GLN 14 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1b8t s LYS 15 N -2.67 1.48 0.40 3.69 2.20 -1.13 -4.87 119.74 118.84 1b8t s LYS 15 Ca 0.00 -1.25 -0.25 0.00 -0.36 0.00 0.00 55.97 54.11 1b8t s LYS 15 Cb 0.00 -1.86 -0.08 0.00 -1.51 0.00 0.00 37.83 34.38 1b8t s LYS 15 CO 0.00 0.45 1.19 0.00 -0.36 0.00 0.00 175.35 176.63 1b8t s ALA 16 N -0.99 3.17 0.08 3.13 0.00 -1.26 0.09 121.76 125.98 1b8t s ALA 16 Ca 0.12 1.02 0.09 0.00 0.00 0.00 0.00 51.96 53.19 1b8t s ALA 16 Cb -0.10 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 1b8t s ALA 16 CO 0.05 -0.58 -0.24 0.08 0.00 0.00 0.00 175.76 175.06 1b8t s VAL 17 N -1.38 1.97 0.00 0.00 1.01 0.13 -4.81 120.40 117.32 1b8t s VAL 17 Ca 0.57 -1.46 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1b8t s VAL 17 Cb -0.32 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.33 1b8t s VAL 17 CO 0.40 0.18 0.00 0.00 0.00 0.00 0.00 175.10 175.69 1b8t n TYR 18 N 1.46 -0.23 -0.86 5.22 9.36 -1.26 -0.12 117.16 130.74 1b8t n TYR 18 Ca -0.18 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.69 1b8t n TYR 18 Cb 0.53 0.40 0.09 0.00 -0.63 0.00 0.00 39.34 39.73 1b8t n TYR 18 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 1b8t n PHE 19 N -2.29 -1.92 0.51 2.98 3.01 -1.26 -2.96 117.46 115.52 1b8t n PHE 19 Ca 0.00 0.33 0.13 0.00 1.01 0.00 0.00 57.45 58.92 1b8t n PHE 19 Cb 0.00 -1.50 0.39 0.00 -0.01 0.00 0.00 39.48 38.36 1b8t n PHE 19 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1b8t h ALA 20 N -1.46 1.00 -0.29 4.37 0.00 -1.99 -3.13 119.26 117.76 1b8t h ALA 20 Ca -0.46 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.54 1b8t h ALA 20 Cb 1.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1b8t h ALA 20 CO 0.29 0.00 0.24 1.49 0.00 0.00 0.00 179.25 181.27 1b8t h GLU 21 N 0.00 0.00 -6.01 0.00 4.57 -2.01 -3.43 114.58 107.70 1b8t h GLU 21 Ca 0.00 0.00 -0.64 0.00 -1.18 0.00 0.00 59.36 57.54 1b8t h GLU 21 Cb 0.73 0.00 0.14 0.00 -0.16 0.00 0.00 28.75 29.45 1b8t h GLU 21 CO 0.00 0.00 -0.75 -1.91 -1.18 0.00 0.00 179.01 175.17 1b8t n GLU 22 N -4.14 0.03 -4.26 1.92 0.00 -1.18 -3.89 120.64 109.11 1b8t n GLU 22 Ca 0.04 0.01 -0.23 0.00 0.00 0.00 0.00 57.16 56.98 1b8t n GLU 22 Cb 0.40 -1.02 -0.17 0.00 0.00 0.00 0.00 31.44 30.65 1b8t n GLU 22 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1b8t s VAL 23 N -1.38 0.80 0.96 6.31 1.01 -0.28 -4.86 120.40 122.95 1b8t s VAL 23 Ca 0.61 -0.25 -0.15 0.00 0.00 0.00 0.00 61.98 62.19 1b8t s VAL 23 Cb -0.76 -0.79 0.17 0.00 0.00 0.00 0.00 36.38 35.01 1b8t s VAL 23 CO 0.60 0.29 1.22 0.00 0.00 0.00 0.00 175.10 177.21 1b8t s GLN 24 N 0.99 0.74 -0.47 2.72 1.03 -1.26 -0.11 119.66 123.30 1b8t s GLN 24 Ca -0.09 -0.09 0.05 0.00 0.04 0.00 0.00 55.36 55.26 1b8t s GLN 24 Cb -0.14 -1.83 0.22 0.00 0.03 0.00 0.00 33.01 31.29 1b8t s GLN 24 CO 0.00 -2.40 0.88 0.00 -2.54 0.00 0.00 175.29 171.24 1b8t n GLU 26 N 2.15 -0.57 0.00 0.00 1.02 -1.26 -0.92 120.64 121.06 1b8t n GLU 26 Ca 0.12 0.75 0.00 0.00 -0.02 0.00 0.00 57.16 58.01 1b8t n GLU 26 Cb 0.61 -1.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.03 1b8t n GLU 26 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b8t n GLY 27 N 0.78 1.67 3.96 0.62 0.00 -1.26 -4.93 105.19 106.03 1b8t n GLY 27 Ca -0.02 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 1b8t n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1b8t s SER 28 N 0.00 3.47 -0.29 1.61 0.15 -0.10 -5.11 113.70 113.43 1b8t s SER 28 Ca 0.00 -0.11 -0.15 0.00 0.70 0.00 0.00 55.95 56.39 1b8t s SER 28 Cb 0.00 -0.00 0.15 0.00 -1.71 0.00 0.00 66.02 64.46 1b8t s SER 28 CO 0.00 -2.47 0.96 -0.55 1.20 0.00 0.00 173.24 172.38 1b8t s SER 29 N -4.88 -0.56 0.22 5.45 0.15 -1.26 0.22 113.70 113.05 1b8t s SER 29 Ca 0.72 0.84 0.01 0.00 0.70 0.00 0.00 55.95 58.23 1b8t s SER 29 Cb -0.03 1.38 -0.05 0.00 -1.71 0.00 0.00 66.02 65.61 1b8t s SER 29 CO 0.50 -0.13 0.06 -0.36 1.20 0.00 0.00 173.24 174.51 1b8t s PHE 30 N 1.74 1.39 0.97 3.44 0.08 0.85 -3.88 117.98 122.56 1b8t s PHE 30 Ca -0.07 -1.12 -0.11 0.00 0.12 0.00 0.00 56.93 55.75 1b8t s PHE 30 Cb -0.05 -0.80 0.16 0.00 -0.57 0.00 0.00 43.02 41.76 1b8t s PHE 30 CO -0.16 -0.30 1.03 0.72 -0.10 0.00 0.00 175.22 176.41 1b8t n HIS 31 N -0.36 0.23 0.15 0.36 8.25 -1.26 -1.13 115.22 121.46 1b8t n HIS 31 Ca -0.03 0.29 -0.11 0.00 -0.26 0.00 0.00 57.72 57.61 1b8t n HIS 31 Cb 0.65 -1.92 -0.06 0.00 1.12 0.00 0.00 29.99 29.78 1b8t n HIS 31 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1b8t h LYS 32 N -2.00 -0.57 -0.12 -0.41 1.63 -1.89 0.60 116.57 113.81 1b8t h LYS 32 Ca -0.46 0.04 0.03 0.00 -0.85 0.00 0.00 60.65 59.41 1b8t h LYS 32 Cb 1.28 0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 33.04 1b8t h LYS 32 CO 0.41 -0.38 0.09 1.03 -3.45 0.00 0.00 179.45 177.15 1b8t h SER 33 N -0.59 0.00 -0.52 4.20 0.87 -1.92 -0.44 113.55 115.15 1b8t h SER 33 Ca -0.03 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1b8t h SER 33 Cb 0.53 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.46 1b8t h SER 33 CO -0.08 0.00 0.32 0.00 -0.53 0.00 0.00 176.83 176.55 1b8t n PHE 35 N -4.77 1.93 -3.99 0.00 -0.00 0.08 -4.82 117.46 105.90 1b8t n PHE 35 Ca 0.04 -1.31 -0.16 0.00 -0.00 0.00 0.00 57.45 56.01 1b8t n PHE 35 Cb 0.06 -2.11 -0.16 0.00 -0.00 0.00 0.00 39.48 37.27 1b8t n PHE 35 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 1b8t s LEU 36 N 7.36 1.46 -0.40 -2.13 0.20 -1.24 -1.43 118.68 122.50 1b8t s LEU 36 Ca 0.67 -0.05 -0.39 0.00 0.69 0.00 0.00 54.13 55.05 1b8t s LEU 36 Cb 0.06 -0.22 -0.15 0.00 -0.43 0.00 0.00 46.19 45.45 1b8t s LEU 36 CO 0.16 -0.05 2.10 0.00 -0.29 0.00 0.00 176.35 178.27 1b8t n MET 38 N 7.47 0.98 -0.02 0.00 2.81 -0.58 -0.11 117.12 127.68 1b8t n MET 38 Ca 0.44 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 56.31 1b8t n MET 38 Cb 0.11 -1.12 -0.01 0.00 -0.71 0.00 0.00 33.22 31.50 1b8t n MET 38 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1b8t n VAL 39 N -0.62 0.38 0.15 2.03 0.31 -1.26 -4.64 118.33 114.67 1b8t n VAL 39 Ca 0.06 0.38 0.04 0.00 -0.01 0.00 0.00 64.34 64.81 1b8t n VAL 39 Cb 0.03 -1.67 0.05 0.00 -0.91 0.00 0.00 33.84 31.34 1b8t n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b8t n LYS 41 N -3.22 0.00 -4.03 0.00 3.00 0.84 -5.05 118.16 109.71 1b8t n LYS 41 Ca 0.02 0.21 -0.35 0.00 -0.00 0.00 0.00 58.31 58.20 1b8t n LYS 41 Cb 0.70 -2.73 -0.11 0.00 0.00 0.00 0.00 35.03 32.90 1b8t n LYS 41 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1b8t s LYS 42 N -2.14 3.84 0.43 1.64 2.47 -1.12 -4.83 119.74 120.03 1b8t s LYS 42 Ca 0.00 -0.41 -0.23 0.00 -1.56 0.00 0.00 55.97 53.77 1b8t s LYS 42 Cb 0.00 -3.18 -0.11 0.00 -1.46 0.00 0.00 37.83 33.08 1b8t s LYS 42 CO 0.00 0.16 0.80 0.27 0.16 0.00 0.00 175.35 176.74 1b8t n ASN 43 N 3.87 0.29 -4.08 1.43 0.23 -1.26 0.29 115.26 116.02 1b8t n ASN 43 Ca -0.17 0.97 -0.33 0.00 -0.53 0.00 0.00 54.58 54.53 1b8t n ASN 43 Cb 0.52 -1.25 -0.15 0.00 -2.08 0.00 0.00 39.78 36.83 1b8t n ASN 43 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1b8t s LEU 44 N 0.38 3.96 -0.06 -4.53 1.43 -0.51 -4.61 118.68 114.73 1b8t s LEU 44 Ca 0.64 -1.59 -0.05 0.00 -1.03 0.00 0.00 54.13 52.10 1b8t s LEU 44 Cb -0.57 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 1b8t s LEU 44 CO 0.57 -0.27 -0.09 -0.67 0.23 0.00 0.00 176.35 176.12 1b8t n ASP 45 N 4.44 0.76 -3.00 2.29 -0.08 -1.26 -4.68 116.55 115.02 1b8t n ASP 45 Ca -0.09 0.35 0.01 0.00 -1.51 0.00 0.00 54.79 53.55 1b8t n ASP 45 Cb 0.42 -0.64 -0.00 0.00 2.34 0.00 0.00 41.12 43.24 1b8t n ASP 45 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1b8t s SER 46 N -4.51 -0.99 -0.38 1.67 0.15 -1.26 -5.06 113.70 103.31 1b8t s SER 46 Ca -0.07 -0.54 0.03 0.00 0.70 0.00 0.00 55.95 56.07 1b8t s SER 46 Cb 0.01 1.27 0.18 0.00 -1.71 0.00 0.00 66.02 65.77 1b8t s SER 46 CO 0.11 -0.11 0.74 -0.89 1.20 0.00 0.00 173.24 174.30 1b8t s THR 47 N 1.85 -0.78 -1.50 6.45 2.01 -1.26 -4.96 115.64 117.44 1b8t s THR 47 Ca 0.16 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 62.14 1b8t s THR 47 Cb -0.00 -0.01 0.00 0.00 0.01 0.00 0.00 72.50 72.50 1b8t s THR 47 CO -0.10 0.00 0.13 1.07 -0.69 0.00 0.00 174.62 175.03 1b8t n THR 48 N 4.24 -1.57 -3.05 -0.82 5.66 -1.26 -4.55 114.28 112.92 1b8t n THR 48 Ca 0.09 -0.51 -0.36 0.00 -3.05 0.00 0.00 64.05 60.22 1b8t n THR 48 Cb 0.59 -1.45 -0.06 0.00 -1.55 0.00 0.00 70.33 67.86 1b8t n THR 48 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1b8t s VAL 49 N -4.25 4.52 0.28 1.08 0.11 -1.26 -0.24 120.40 120.64 1b8t s VAL 49 Ca 0.03 1.35 0.07 0.00 -2.93 0.00 0.00 61.98 60.50 1b8t s VAL 49 Cb -0.02 -3.87 -0.06 0.00 -1.53 0.00 0.00 36.38 30.90 1b8t s VAL 49 CO 0.97 0.19 -0.06 0.00 -3.33 0.00 0.00 175.10 172.87 1b8t s ALA 50 N -1.55 2.35 0.37 1.54 0.00 0.93 -4.78 121.76 120.61 1b8t s ALA 50 Ca 0.44 -1.90 0.08 0.00 0.00 0.00 0.00 51.96 50.58 1b8t s ALA 50 Cb -0.17 0.19 -0.07 0.00 0.00 0.00 0.00 23.12 23.08 1b8t s ALA 50 CO 0.21 -0.07 -0.04 0.08 0.00 0.00 0.00 175.76 175.94 1b8t s VAL 51 N -3.01 2.03 -0.29 0.00 1.01 -1.26 -1.37 120.40 117.50 1b8t s VAL 51 Ca 0.30 -2.10 0.04 0.00 0.00 0.00 0.00 61.98 60.22 1b8t s VAL 51 Cb 0.04 -2.79 0.20 0.00 0.00 0.00 0.00 36.38 33.82 1b8t s VAL 51 CO 0.12 -0.11 0.59 -2.28 0.00 0.00 0.00 175.10 173.42 1b8t s HIS 52 N -2.73 -1.81 0.00 5.22 5.65 0.16 -4.89 115.29 116.90 1b8t s HIS 52 Ca 0.34 1.23 0.00 0.00 0.25 0.00 0.00 55.06 56.87 1b8t s HIS 52 Cb 0.06 0.37 0.00 0.00 -1.18 0.00 0.00 32.58 31.84 1b8t s HIS 52 CO 0.17 -1.04 0.00 0.41 -0.65 0.00 0.00 174.74 173.62 1b8t n GLY 53 N 5.42 0.87 2.19 1.59 0.00 -1.26 0.25 105.19 114.25 1b8t n GLY 53 Ca 0.04 0.63 -0.26 0.00 0.00 0.00 0.00 46.02 46.42 1b8t n GLY 53 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b8t n ASP 54 N 7.32 5.25 -3.80 1.61 5.68 -1.26 -5.00 116.55 126.34 1b8t n ASP 54 Ca 0.00 -3.75 -0.12 0.00 -0.50 0.00 0.00 54.79 50.42 1b8t n ASP 54 Cb 0.00 -0.46 -0.09 0.00 -1.14 0.00 0.00 41.12 39.43 1b8t n ASP 54 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1b8t s GLU 55 N -3.63 0.65 -0.04 0.11 0.41 0.14 -4.92 118.70 111.41 1b8t s GLU 55 Ca 0.52 -0.38 0.05 0.00 -0.41 0.00 0.00 54.97 54.75 1b8t s GLU 55 Cb 0.42 0.28 -0.02 0.00 -1.78 0.00 0.00 34.13 33.02 1b8t s GLU 55 CO -0.04 -0.18 -0.18 -1.50 -0.49 0.00 0.00 175.26 172.87 1b8t s ILE 56 N -1.76 2.74 0.20 -1.63 -1.16 -1.26 -0.66 121.20 117.66 1b8t s ILE 56 Ca -0.11 -0.84 -0.09 0.00 -0.51 0.00 0.00 60.65 59.10 1b8t s ILE 56 Cb -0.04 -2.04 -0.01 0.00 0.61 0.00 0.00 42.46 40.97 1b8t s ILE 56 CO 0.01 0.59 0.32 -0.31 -2.81 0.00 0.00 174.94 172.74 1b8t s TYR 57 N -0.64 0.49 -0.03 3.50 2.02 -0.47 -1.52 117.35 120.70 1b8t s TYR 57 Ca 0.10 -0.83 -0.02 0.00 -0.37 0.00 0.00 57.07 55.95 1b8t s TYR 57 Cb -0.11 -0.05 -0.04 0.00 -0.40 0.00 0.00 41.96 41.37 1b8t s TYR 57 CO 0.00 -0.79 0.08 0.00 -1.57 0.00 0.00 175.55 173.27 1b8t n LYS 59 N 1.45 -0.33 0.00 0.00 3.00 0.66 -1.38 118.16 121.57 1b8t n LYS 59 Ca -0.15 1.29 0.00 0.00 -0.00 0.00 0.00 58.31 59.45 1b8t n LYS 59 Cb 0.53 -1.90 0.00 0.00 0.00 0.00 0.00 35.03 33.67 1b8t n LYS 59 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1b8t n SER 60 N -4.73 0.00 -0.21 3.14 2.88 -1.26 0.13 113.62 113.57 1b8t n SER 60 Ca 0.01 0.41 -0.09 0.00 -1.33 0.00 0.00 58.87 57.88 1b8t n SER 60 Cb 0.19 -0.17 -0.04 0.00 -0.75 0.00 0.00 64.21 63.44 1b8t n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1b8t h TYR 62 N -0.23 -0.91 0.00 0.00 5.03 0.23 1.64 116.97 122.72 1b8t h TYR 62 Ca 0.17 0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.54 1b8t h TYR 62 Cb 0.56 0.46 0.00 0.00 1.55 0.00 0.00 36.73 39.30 1b8t h TYR 62 CO -0.73 -0.19 0.02 0.78 -1.32 0.00 0.00 178.16 176.72 1b8t h GLY 63 N -0.03 0.00 0.30 1.82 0.00 0.94 0.31 103.07 106.42 1b8t h GLY 63 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 1b8t h GLY 63 CO -0.44 0.00 -0.08 1.70 0.00 0.00 0.00 176.54 177.72 1b8t h LYS 64 N 0.00 -0.22 0.27 4.80 3.64 0.64 0.39 116.57 126.08 1b8t h LYS 64 Ca 0.00 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1b8t h LYS 64 Cb 0.03 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1b8t h LYS 64 CO 0.00 0.16 -0.13 0.87 -2.27 0.00 0.00 179.45 178.08 1b8t h LYS 65 N -0.93 -0.35 -0.89 1.90 1.79 0.28 -3.19 116.57 115.18 1b8t h LYS 65 Ca -0.02 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1b8t h LYS 65 Cb 0.48 0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.17 1b8t h LYS 65 CO 0.04 -0.01 0.53 1.88 -1.08 0.00 0.00 179.45 180.81 1b8t h TYR 66 N -0.78 1.18 0.00 -1.35 -1.99 -0.56 -3.42 116.97 110.05 1b8t h TYR 66 Ca -0.04 -0.01 -0.42 0.00 2.00 0.00 0.00 58.73 60.27 1b8t h TYR 66 Cb 0.51 -0.39 -0.08 0.00 2.00 0.00 0.00 36.73 38.77 1b8t h TYR 66 CO 0.04 0.79 1.59 0.41 -0.00 0.00 0.00 178.16 180.98 1b8t n GLY 67 N -1.24 -0.43 3.76 3.88 0.00 0.14 -4.85 105.19 106.44 1b8t n GLY 67 Ca 0.10 0.85 -0.30 0.00 0.00 0.00 0.00 46.02 46.67 1b8t n GLY 67 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b8t s PRO 68 N 7.62 -0.58 0.26 1.61 0.04 -1.26 -4.94 135.00 137.74 1b8t s PRO 68 Ca 1.19 -0.36 0.11 0.00 0.04 0.00 0.00 61.00 61.98 1b8t s PRO 68 Cb -1.05 -1.70 -0.05 0.00 0.04 0.00 0.00 34.50 31.75 1b8t s PRO 68 CO 0.44 -3.24 -0.13 0.21 0.04 0.00 0.00 177.00 174.33 1b8t s LYS 69 N -5.74 1.91 0.00 4.56 2.20 -1.26 -5.15 119.74 116.27 1b8t s LYS 69 Ca 0.74 -1.59 0.00 0.00 -0.36 0.00 0.00 55.97 54.77 1b8t s LYS 69 Cb -0.05 -1.94 0.00 0.00 -1.51 0.00 0.00 37.83 34.33 1b8t s LYS 69 CO 0.55 0.36 0.00 0.41 -0.36 0.00 0.00 175.35 176.30 1b8t n GLY 70 N -0.59 0.20 3.83 5.54 0.00 -1.26 -5.13 105.19 107.78 1b8t n GLY 70 Ca -0.07 -1.82 0.03 0.00 0.00 0.00 0.00 46.02 44.16 1b8t n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b8t s LYS 71 N -0.52 0.33 0.00 1.61 -0.14 -1.26 -5.19 119.74 114.57 1b8t s LYS 71 Ca 0.00 -0.20 0.00 0.00 -1.36 0.00 0.00 55.97 54.41 1b8t s LYS 71 Cb 0.00 0.10 0.00 0.00 -1.68 0.00 0.00 37.83 36.25 1b8t s LYS 71 CO 0.00 -0.15 0.00 0.41 -0.76 0.00 0.00 175.35 174.85 1b8t n GLY 72 N -0.74 5.30 3.83 -3.33 0.00 -1.26 -5.19 105.19 103.80 1b8t n GLY 72 Ca -0.01 -1.40 -0.06 0.00 0.00 0.00 0.00 46.02 44.54 1b8t n GLY 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b8t s LYS 73 N 1.15 1.75 0.00 1.61 -2.85 -1.26 -5.19 119.74 114.95 1b8t s LYS 73 Ca 0.00 -1.10 0.00 0.00 -1.00 0.00 0.00 55.97 53.87 1b8t s LYS 73 Cb 0.00 0.51 0.00 0.00 -2.06 0.00 0.00 37.83 36.28 1b8t s LYS 73 CO 0.00 -0.82 0.00 0.41 0.10 0.00 0.00 175.35 175.04 1b8t n GLY 74 N -0.57 4.96 3.79 0.59 0.00 -1.26 -5.19 105.19 107.50 1b8t n GLY 74 Ca -0.06 -1.25 -0.04 0.00 0.00 0.00 0.00 46.02 44.67 1b8t n GLY 74 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1b8t s MET 75 N 1.28 1.36 0.07 1.61 1.75 -1.26 -5.19 119.30 118.92 1b8t s MET 75 Ca 0.00 -0.76 -0.02 0.00 -1.25 0.00 0.00 55.69 53.66 1b8t s MET 75 Cb 0.00 0.45 0.01 0.00 2.84 0.00 0.00 34.83 38.13 1b8t s MET 75 CO 0.00 -0.62 0.13 0.41 -0.65 0.00 0.00 175.02 174.29 1b8t n GLY 76 N -0.48 2.19 3.84 2.11 0.00 -1.26 -5.19 105.19 106.40 1b8t n GLY 76 Ca -0.05 -1.18 0.02 0.00 0.00 0.00 0.00 46.02 44.80 1b8t n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b8t s ALA 77 N -1.42 -2.28 0.00 4.61 0.00 -1.26 -5.19 121.76 116.22 1b8t s ALA 77 Ca 0.04 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.23 1b8t s ALA 77 Cb -0.01 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.80 1b8t s ALA 77 CO 0.03 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.09 1b8t n GLY 78 N -0.73 -0.32 3.55 0.00 0.00 -1.26 -5.19 105.19 101.24 1b8t n GLY 78 Ca -0.02 -0.94 -0.07 0.00 0.00 0.00 0.00 46.02 44.99 1b8t n GLY 78 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1b8t s THR 79 N -2.00 0.00 -0.17 2.61 -1.32 -1.26 -5.18 115.64 108.31 1b8t s THR 79 Ca 0.00 -0.10 -0.32 0.00 -1.21 0.00 0.00 61.69 60.07 1b8t s THR 79 Cb 0.00 -1.16 0.14 0.00 -1.51 0.00 0.00 72.50 69.97 1b8t s THR 79 CO 0.00 0.00 1.14 -1.48 -2.21 0.00 0.00 174.62 172.07 1b8t s LEU 80 N -2.53 -0.21 -0.25 9.08 -0.00 -1.26 -5.19 118.68 118.33 1b8t s LEU 80 Ca 0.07 0.11 -0.37 0.00 -0.00 0.00 0.00 54.13 53.93 1b8t s LEU 80 Cb -0.01 1.54 0.15 0.00 -0.00 0.00 0.00 46.19 47.87 1b8t s LEU 80 CO -0.07 -0.28 1.32 -0.94 -0.00 0.00 0.00 176.35 176.38 1b8t s SER 81 N -1.73 -0.06 -0.04 1.48 1.04 -1.26 -5.19 113.70 107.94 1b8t s SER 81 Ca 0.06 -0.00 -0.31 0.00 0.48 0.00 0.00 55.95 56.18 1b8t s SER 81 Cb -0.01 0.06 0.11 0.00 0.10 0.00 0.00 66.02 66.29 1b8t s SER 81 CO -0.04 -0.10 1.12 0.28 0.98 0.00 0.00 173.24 175.48 1b8t s THR 82 N -2.18 0.00 0.00 2.02 -1.32 -1.26 -5.19 115.64 107.72 1b8t s THR 82 Ca 0.11 -0.18 0.00 0.00 -1.21 0.00 0.00 61.69 60.41 1b8t s THR 82 Cb -0.01 -1.46 0.00 0.00 -1.51 0.00 0.00 72.50 69.53 1b8t s THR 82 CO -0.03 0.00 0.00 0.47 -2.21 0.00 0.00 174.62 172.85 1b8t n ASP 83 N -0.30 0.00 -3.63 8.08 10.43 -1.26 -5.19 116.55 124.68 1b8t n ASP 83 Ca -0.05 0.00 -0.04 0.00 2.57 0.00 0.00 54.79 57.27 1b8t n ASP 83 Cb 0.61 0.00 -0.05 0.00 1.84 0.00 0.00 41.12 43.52 1b8t n ASP 83 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 1b8t s LYS 84 N -2.00 0.16 -0.25 -1.24 2.47 -1.26 -5.19 119.74 112.43 1b8t s LYS 84 Ca 0.00 0.05 -0.33 0.00 -1.56 0.00 0.00 55.97 54.13 1b8t s LYS 84 Cb 0.00 0.07 0.16 0.00 -1.46 0.00 0.00 37.83 36.61 1b8t s LYS 84 CO 0.00 -0.05 1.29 0.20 0.16 0.00 0.00 175.35 176.96 1b8t s GLY 85 N -0.93 -0.11 -0.28 5.54 0.00 -1.26 -5.18 107.32 105.10 1b8t s GLY 85 Ca 0.07 2.21 -0.27 0.00 0.00 0.00 0.00 44.72 46.72 1b8t s GLY 85 CO -0.07 0.83 1.33 1.85 0.00 0.00 0.00 173.10 177.04 1b8t s GLU 86 N -1.66 0.15 -0.28 2.90 2.12 -1.26 -5.18 118.70 115.49 1b8t s GLU 86 Ca 0.09 0.10 -0.27 0.00 0.36 0.00 0.00 54.97 55.25 1b8t s GLU 86 Cb -0.01 0.07 0.18 0.00 0.26 0.00 0.00 34.13 34.64 1b8t s GLU 86 CO -0.05 -0.04 1.35 0.45 -0.54 0.00 0.00 175.26 176.44 1b8t s SER 87 N -0.51 -0.10 -0.14 -1.70 0.15 -1.26 -5.19 113.70 104.95 1b8t s SER 87 Ca 0.07 0.17 -0.33 0.00 0.70 0.00 0.00 55.95 56.55 1b8t s SER 87 Cb -0.03 0.16 0.13 0.00 -1.71 0.00 0.00 66.02 64.57 1b8t s SER 87 CO -0.10 -0.05 1.12 -1.48 1.20 0.00 0.00 173.24 173.93 1b8t s LEU 88 N -0.34 -0.20 0.00 3.45 -0.00 -1.26 -5.18 118.68 115.15 1b8t s LEU 88 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 54.13 54.20 1b8t s LEU 88 Cb -0.03 1.56 0.00 0.00 -0.00 0.00 0.00 46.19 47.72 1b8t s LEU 88 CO -0.11 -0.34 0.00 0.61 -0.00 0.00 0.00 176.35 176.51 1b8t n GLY 89 N -0.13 4.78 3.63 -3.48 0.00 -1.26 -5.18 105.19 103.55 1b8t n GLY 89 Ca -0.02 -0.91 -0.06 0.00 0.00 0.00 0.00 46.02 45.03 1b8t n GLY 89 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1b8t s ILE 90 N -0.76 0.00 0.01 -0.61 1.10 -1.26 -5.19 121.20 114.49 1b8t s ILE 90 Ca 0.00 0.00 -0.29 0.00 -0.51 0.00 0.00 60.65 59.85 1b8t s ILE 90 Cb 0.00 -1.00 0.11 0.00 0.15 0.00 0.00 42.46 41.72 1b8t s ILE 90 CO 0.00 0.00 1.24 -1.59 -2.11 0.00 0.00 174.94 172.48 1b8t s LYS 91 N -0.50 0.51 0.31 3.50 -2.85 -1.26 -5.19 119.74 114.25 1b8t s LYS 91 Ca 0.05 -0.28 -0.14 0.00 -1.00 0.00 0.00 55.97 54.59 1b8t s LYS 91 Cb -0.03 0.17 0.02 0.00 -2.06 0.00 0.00 37.83 35.93 1b8t s LYS 91 CO -0.07 -0.23 0.62 0.71 0.10 0.00 0.00 175.35 176.48 1b8t s TYR 92 N -2.52 0.29 0.15 1.78 2.02 -1.26 -5.19 117.35 112.63 1b8t s TYR 92 Ca 0.14 -0.74 -0.25 0.00 -0.37 0.00 0.00 57.07 55.85 1b8t s TYR 92 Cb 0.04 0.45 0.07 0.00 -0.40 0.00 0.00 41.96 42.11 1b8t s TYR 92 CO -0.03 -1.24 0.99 -1.21 -1.57 0.00 0.00 175.55 172.49 1b8t s GLU 93 N -3.34 1.17 -0.27 -0.62 0.41 -1.26 -5.19 118.70 109.61 1b8t s GLU 93 Ca 0.19 -0.67 -0.32 0.00 -0.41 0.00 0.00 54.97 53.76 1b8t s GLU 93 Cb -0.03 0.39 0.18 0.00 -1.78 0.00 0.00 34.13 32.88 1b8t s GLU 93 CO 0.11 -0.54 1.34 -2.00 -0.49 0.00 0.00 175.26 173.68 1b8t s GLU 94 N -3.07 0.10 -0.24 1.61 2.12 -1.26 -5.19 118.70 112.77 1b8t s GLU 94 Ca 0.14 -0.00 -0.29 0.00 0.36 0.00 0.00 54.97 55.18 1b8t s GLU 94 Cb -0.01 0.05 0.16 0.00 0.26 0.00 0.00 34.13 34.59 1b8t s GLU 94 CO 0.02 -0.04 1.20 0.20 -0.54 0.00 0.00 175.26 176.11 1b8t s GLY 95 N -1.40 -0.04 -0.30 -1.50 0.00 -1.26 -5.18 107.32 97.65 1b8t s GLY 95 Ca 0.09 2.57 -0.22 0.00 0.00 0.00 0.00 44.72 47.16 1b8t s GLY 95 CO -0.06 1.21 1.33 1.62 0.00 0.00 0.00 173.10 177.20 1b8t s GLN 96 N -0.87 0.12 0.00 2.90 -0.44 -1.26 -5.18 119.66 114.93 1b8t s GLN 96 Ca 0.04 0.16 0.00 0.00 -2.50 0.00 0.00 55.36 53.06 1b8t s GLN 96 Cb -0.01 0.05 0.00 0.00 -1.64 0.00 0.00 33.01 31.40 1b8t s GLN 96 CO -0.05 -0.02 0.00 -1.13 0.50 0.00 0.00 175.29 174.60 1b8t n SER 97 N 2.13 0.00 -3.64 6.67 3.41 -1.26 -5.19 113.62 115.75 1b8t n SER 97 Ca -0.13 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.46 1b8t n SER 97 Cb 0.57 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 1b8t n SER 97 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1b8t s HIS 98 N -0.63 -0.04 -0.32 7.33 5.04 -1.26 -5.13 115.29 120.29 1b8t s HIS 98 Ca 0.00 0.04 -0.10 0.00 -1.54 0.00 0.00 55.06 53.46 1b8t s HIS 98 Cb 0.00 0.50 0.20 0.00 0.04 0.00 0.00 32.58 33.32 1b8t s HIS 98 CO 0.00 -0.05 1.12 1.03 -2.34 0.00 0.00 174.74 174.50 1b8t s ARG 99 N -1.82 0.10 0.03 2.88 0.52 -1.26 -5.14 118.95 114.25 1b8t s ARG 99 Ca 0.11 -0.06 -0.30 0.00 -0.52 0.00 0.00 55.73 54.95 1b8t s ARG 99 Cb -0.01 0.00 -0.05 0.00 0.52 0.00 0.00 34.95 35.42 1b8t s ARG 99 CO -0.04 -0.13 1.18 -1.25 0.02 0.00 0.00 175.30 175.08 1b8t s PRO 100 N 1.54 4.43 -0.21 3.54 0.04 -1.26 -5.02 135.00 138.06 1b8t s PRO 100 Ca 0.18 1.71 -0.08 0.00 0.04 0.00 0.00 61.00 62.85 1b8t s PRO 100 Cb 0.09 -3.41 0.09 0.00 0.04 0.00 0.00 34.50 31.31 1b8t s PRO 100 CO -0.14 -0.28 0.46 0.99 0.04 0.00 0.00 177.00 178.07 1b8t s THR 101 N 1.33 -0.52 0.00 1.26 2.01 -1.26 -5.11 115.64 113.35 1b8t s THR 101 Ca 0.57 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.70 1b8t s THR 101 Cb -0.28 -0.71 0.00 0.00 0.01 0.00 0.00 72.50 71.52 1b8t s THR 101 CO 0.27 0.05 0.00 -3.20 -0.69 0.00 0.00 174.62 171.06 1b8t n ASN 102 N 5.10 0.00 -3.64 3.53 5.15 -1.26 -5.18 115.26 118.96 1b8t n ASN 102 Ca -0.13 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.58 1b8t n ASN 102 Cb 0.51 0.00 0.21 0.00 -0.53 0.00 0.00 39.78 39.97 1b8t n ASN 102 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1b8t n PRO 103 N 0.00 -2.10 -3.71 1.20 -0.04 -1.26 -5.10 135.00 123.99 1b8t n PRO 103 Ca 0.00 -1.78 -0.13 0.00 -0.04 0.00 0.00 63.50 61.54 1b8t n PRO 103 Cb 0.00 -1.41 -0.07 0.00 -0.04 0.00 0.00 33.50 31.98 1b8t n PRO 103 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1b8t s ASN 104 N -4.93 -0.25 -0.30 3.54 -0.87 -1.26 -5.17 114.94 105.71 1b8t s ASN 104 Ca 0.69 0.06 -0.24 0.00 -1.57 0.00 0.00 52.86 51.80 1b8t s ASN 104 Cb -0.04 0.38 0.18 0.00 -0.02 0.00 0.00 41.25 41.75 1b8t s ASN 104 CO 0.50 -0.56 1.37 0.00 -2.57 0.00 0.00 177.10 175.84 1b8t s ALA 105 N -1.91 -2.22 -0.29 0.60 0.00 -1.26 -5.18 121.76 111.50 1b8t s ALA 105 Ca -0.09 1.73 -0.25 0.00 0.00 0.00 0.00 51.96 53.35 1b8t s ALA 105 Cb -0.02 -1.75 0.18 0.00 0.00 0.00 0.00 23.12 21.53 1b8t s ALA 105 CO 0.01 -0.14 1.39 0.45 0.00 0.00 0.00 175.76 177.48 1b8t s SER 106 N 0.14 -0.10 -0.30 0.00 0.15 -1.26 -5.17 113.70 107.16 1b8t s SER 106 Ca 0.06 0.18 -0.18 0.00 0.70 0.00 0.00 55.95 56.71 1b8t s SER 106 Cb -0.05 0.18 0.20 0.00 -1.71 0.00 0.00 66.02 64.65 1b8t s SER 106 CO -0.14 -0.04 1.28 -0.60 1.20 0.00 0.00 173.24 174.94 1b8t s ARG 107 N -0.04 0.08 -0.21 5.44 6.06 -1.26 -5.18 118.95 123.84 1b8t s ARG 107 Ca 0.07 0.13 -0.33 0.00 -2.50 0.00 0.00 55.73 53.10 1b8t s ARG 107 Cb -0.05 0.02 0.15 0.00 0.06 0.00 0.00 34.95 35.14 1b8t s ARG 107 CO -0.14 -0.01 1.21 -1.64 -2.50 0.00 0.00 175.30 172.22 1b8t s MET 108 N 0.82 0.29 -0.29 5.12 -1.94 -1.26 -5.17 119.30 116.87 1b8t s MET 108 Ca -0.05 -0.04 -0.19 0.00 -1.71 0.00 0.00 55.69 53.71 1b8t s MET 108 Cb -0.03 0.13 0.17 0.00 2.01 0.00 0.00 34.83 37.12 1b8t s MET 108 CO -0.11 -0.11 1.14 0.00 -0.01 0.00 0.00 175.02 175.93 1b8t s ALA 109 N -1.85 -2.36 -0.30 3.03 0.00 -1.26 -5.16 121.76 113.86 1b8t s ALA 109 Ca 0.07 2.01 -0.17 0.00 0.00 0.00 0.00 51.96 53.87 1b8t s ALA 109 Cb -0.01 -1.78 0.19 0.00 0.00 0.00 0.00 23.12 21.52 1b8t s ALA 109 CO -0.05 -0.29 1.17 -1.14 0.00 0.00 0.00 175.76 175.46 1b8t s GLN 110 N 0.90 0.14 -0.28 0.00 2.00 -1.26 -5.17 119.66 115.99 1b8t s GLN 110 Ca -0.05 0.32 -0.25 0.00 -2.00 0.00 0.00 55.36 53.38 1b8t s GLN 110 Cb -0.04 0.15 0.14 0.00 0.80 0.00 0.00 33.01 34.07 1b8t s GLN 110 CO -0.12 -0.04 1.12 -1.59 -0.50 0.00 0.00 175.29 174.16 1b8t s LYS 111 N 1.91 0.41 -0.22 1.67 -2.85 -1.26 -5.18 119.74 114.22 1b8t s LYS 111 Ca -0.03 0.48 -0.30 0.00 -1.00 0.00 0.00 55.97 55.11 1b8t s LYS 111 Cb -0.03 0.20 0.16 0.00 -2.06 0.00 0.00 37.83 36.10 1b8t s LYS 111 CO -0.15 -0.05 1.19 0.54 0.10 0.00 0.00 175.35 176.97 1b8t s VAL 112 N 0.16 0.00 0.00 1.79 0.11 -1.26 -5.18 120.40 116.02 1b8t s VAL 112 Ca 0.04 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 1b8t s VAL 112 Cb -0.05 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 1b8t s VAL 112 CO -0.08 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.30 1b8t n GLY 113 N 0.50 3.65 0.00 6.54 0.00 -1.26 -5.13 105.19 109.50 1b8t n GLY 113 Ca -0.04 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1b8t n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b8t n GLY 114 N -1.63 -0.16 0.00 -0.02 0.00 -1.26 -5.18 105.19 96.93 1b8t n GLY 114 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1b8t n GLY 114 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1b8t n SER 115 N 0.00 0.00 0.00 1.61 3.41 -1.26 -4.82 113.62 112.56 1b8t n SER 115 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1b8t n SER 115 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1b8t n SER 115 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1b8t n ASP 116 N 0.00 0.00 -4.23 4.04 2.03 -0.57 -5.06 116.55 112.76 1b8t n ASP 116 Ca 0.00 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.12 1b8t n ASP 116 Cb 0.00 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 1b8t n ASP 116 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1b8t s GLY 117 N -0.03 2.01 -0.43 0.27 0.00 -1.26 -0.06 107.32 107.81 1b8t s GLY 117 Ca 0.00 -1.79 -0.14 0.00 0.00 0.00 0.00 44.72 42.79 1b8t s GLY 117 CO 0.00 -1.67 0.32 0.00 0.00 0.00 0.00 173.10 171.75 1b8t n PRO 119 N 5.12 0.66 -0.00 0.00 -0.04 -1.26 0.49 135.00 139.97 1b8t n PRO 119 Ca -0.12 0.01 -0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1b8t n PRO 119 Cb 0.45 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1b8t n PRO 119 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1b8t n ARG 120 N -1.06 0.02 0.10 0.54 5.12 -1.26 -4.63 116.66 115.49 1b8t n ARG 120 Ca 0.17 0.20 -0.15 0.00 -1.93 0.00 0.00 57.85 56.14 1b8t n ARG 120 Cb 0.10 -0.73 -0.13 0.00 -1.16 0.00 0.00 32.46 30.54 1b8t n ARG 120 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1b8t n GLY 122 N 1.46 1.61 3.78 0.00 0.00 0.18 -5.07 105.19 107.15 1b8t n GLY 122 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1b8t n GLY 122 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b8t s GLN 123 N -0.03 4.10 1.08 1.61 -0.21 -1.24 -4.24 119.66 120.73 1b8t s GLN 123 Ca 0.00 2.58 -0.17 0.00 0.02 0.00 0.00 55.36 57.80 1b8t s GLN 123 Cb 0.00 -2.97 0.11 0.00 1.00 0.00 0.00 33.01 31.15 1b8t s GLN 123 CO 0.00 -0.55 0.19 0.00 -2.12 0.00 0.00 175.29 172.82 1b8t n ALA 124 N 0.50 -3.66 -3.78 6.09 0.00 -1.26 -0.24 120.51 118.16 1b8t n ALA 124 Ca 0.01 -1.12 -0.25 0.00 0.00 0.00 0.00 53.44 52.09 1b8t n ALA 124 Cb 0.39 -1.63 -0.17 0.00 0.00 0.00 0.00 19.45 18.04 1b8t n ALA 124 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1b8t s VAL 125 N -2.29 0.50 0.00 0.00 1.01 0.91 -4.32 120.40 116.20 1b8t s VAL 125 Ca 0.57 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1b8t s VAL 125 Cb -0.15 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.50 1b8t s VAL 125 CO 0.66 0.15 0.00 -1.22 0.00 0.00 0.00 175.10 174.70 1b8t n TYR 126 N 5.10 -0.06 -1.50 5.22 4.01 -1.26 -1.51 117.16 127.15 1b8t n TYR 126 Ca -0.08 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.23 1b8t n TYR 126 Cb 0.49 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.45 1b8t n TYR 126 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1b8t n ALA 127 N -3.00 0.83 0.00 -0.72 0.00 -1.26 -3.05 120.51 113.30 1b8t n ALA 127 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1b8t n ALA 127 Cb 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 19.45 16.73 1b8t n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b8t n ALA 128 N 12.16 0.00 -2.70 0.00 0.00 -1.26 -4.97 120.51 123.74 1b8t n ALA 128 Ca 0.45 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.83 1b8t n ALA 128 Cb 0.30 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.83 1b8t n ALA 128 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1b8t n GLU 129 N 0.00 1.28 -3.20 0.00 4.07 -1.17 -5.06 120.64 116.55 1b8t n GLU 129 Ca 0.00 -2.42 -0.39 0.00 -0.06 0.00 0.00 57.16 54.29 1b8t n GLU 129 Cb 0.00 -0.57 -0.06 0.00 -0.06 0.00 0.00 31.44 30.75 1b8t n GLU 129 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1b8t s LYS 130 N -1.44 4.30 0.06 5.31 2.20 -1.22 -0.36 119.74 128.60 1b8t s LYS 130 Ca 0.22 0.83 0.03 0.00 -0.36 0.00 0.00 55.97 56.70 1b8t s LYS 130 Cb 0.42 -3.26 -0.03 0.00 -1.51 0.00 0.00 37.83 33.45 1b8t s LYS 130 CO -0.05 0.59 -0.10 0.54 -0.36 0.00 0.00 175.35 175.97 1b8t s VAL 131 N -0.99 0.80 -0.22 4.02 0.11 0.95 -4.65 120.40 120.43 1b8t s VAL 131 Ca 0.31 -1.30 0.00 0.00 -2.93 0.00 0.00 61.98 58.06 1b8t s VAL 131 Cb -0.20 -0.95 0.03 0.00 -1.53 0.00 0.00 36.38 33.72 1b8t s VAL 131 CO 0.20 -0.39 -0.13 -0.63 -3.33 0.00 0.00 175.10 170.82 1b8t s ILE 132 N -1.67 2.43 -0.04 7.04 1.09 -1.26 -1.21 121.20 127.58 1b8t s ILE 132 Ca -0.03 -1.09 -0.14 0.00 -1.10 0.00 0.00 60.65 58.29 1b8t s ILE 132 Cb -0.08 -2.19 0.02 0.00 -1.06 0.00 0.00 42.46 39.16 1b8t s ILE 132 CO 0.01 0.30 0.31 -0.83 -0.10 0.00 0.00 174.94 174.63 1b8t s GLY 133 N 1.27 -0.17 -1.38 6.18 0.00 0.62 -4.91 107.32 108.94 1b8t s GLY 133 Ca 0.01 0.44 -0.06 0.00 0.00 0.00 0.00 44.72 45.10 1b8t s GLY 133 CO -0.08 0.25 0.42 0.00 0.00 0.00 0.00 173.10 173.69 1b8t n ALA 134 N 1.60 -2.14 -4.31 3.20 0.00 -1.26 0.21 120.51 117.81 1b8t n ALA 134 Ca -0.20 -0.32 -0.36 0.00 0.00 0.00 0.00 53.44 52.56 1b8t n ALA 134 Cb 0.56 -1.84 -0.05 0.00 0.00 0.00 0.00 19.45 18.12 1b8t n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b8t n GLY 135 N -2.05 -0.36 3.57 0.00 0.00 -1.26 -4.66 105.19 100.43 1b8t n GLY 135 Ca -0.27 0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 1b8t n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b8t s LYS 136 N -7.05 1.53 -0.07 1.61 1.02 0.13 -5.10 119.74 111.81 1b8t s LYS 136 Ca 0.58 -1.27 0.04 0.00 0.02 0.00 0.00 55.97 55.33 1b8t s LYS 136 Cb -0.33 0.46 -0.02 0.00 -0.52 0.00 0.00 37.83 37.43 1b8t s LYS 136 CO 0.97 -0.63 -0.18 0.45 -0.92 0.00 0.00 175.35 175.03 1b8t s SER 137 N -3.03 3.65 0.32 2.83 0.15 -1.26 -0.27 113.70 116.09 1b8t s SER 137 Ca 0.23 -0.35 -0.05 0.00 0.70 0.00 0.00 55.95 56.48 1b8t s SER 137 Cb -0.00 -1.05 0.00 0.00 -1.71 0.00 0.00 66.02 63.25 1b8t s SER 137 CO 0.09 0.26 0.47 0.26 1.20 0.00 0.00 173.24 175.52 1b8t s TRP 138 N -0.22 0.89 -0.01 3.44 0.52 -0.35 -4.17 118.94 119.04 1b8t s TRP 138 Ca -0.01 -1.16 -0.30 0.00 0.02 0.00 0.00 56.10 54.65 1b8t s TRP 138 Cb -0.13 -0.01 -0.03 0.00 -1.15 0.00 0.00 33.47 32.14 1b8t s TRP 138 CO 0.03 -1.10 1.01 -1.01 0.02 0.00 0.00 176.95 175.90 1b8t s HIS 139 N -3.27 3.60 -0.60 -1.98 3.76 -1.26 -0.03 115.29 115.51 1b8t s HIS 139 Ca 0.29 1.63 -0.25 0.00 -0.15 0.00 0.00 55.06 56.57 1b8t s HIS 139 Cb -0.00 -3.17 -0.23 0.00 1.11 0.00 0.00 32.58 30.29 1b8t s HIS 139 CO 0.17 -0.22 1.83 1.17 -0.85 0.00 0.00 174.74 176.85 1b8t n LYS 140 N 4.07 0.94 0.00 1.40 4.81 0.52 -1.74 118.16 128.16 1b8t n LYS 140 Ca 0.07 -1.65 0.00 0.00 -0.87 0.00 0.00 58.31 55.86 1b8t n LYS 140 Cb 0.50 -2.96 0.00 0.00 0.02 0.00 0.00 35.03 32.59 1b8t n LYS 140 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1b8t n SER 141 N 9.74 0.00 -0.13 3.14 7.64 -1.26 -4.97 113.62 127.78 1b8t n SER 141 Ca 0.48 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 60.28 1b8t n SER 141 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 1b8t n SER 141 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b8t n PHE 143 N -4.80 0.66 -4.33 0.00 3.72 -1.18 -4.77 117.46 106.76 1b8t n PHE 143 Ca 0.01 0.43 -0.20 0.00 -0.05 0.00 0.00 57.45 57.64 1b8t n PHE 143 Cb 0.02 -1.03 -0.13 0.00 -0.94 0.00 0.00 39.48 37.40 1b8t n PHE 143 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1b8t s ARG 144 N 2.09 0.95 0.04 -1.08 1.04 -1.26 -0.44 118.95 120.27 1b8t s ARG 144 Ca 0.52 -0.83 -0.30 0.00 -1.04 0.00 0.00 55.73 54.07 1b8t s ARG 144 Cb -0.69 -0.97 -0.06 0.00 -2.04 0.00 0.00 34.95 31.19 1b8t s ARG 144 CO 0.34 0.24 1.36 0.00 -0.04 0.00 0.00 175.30 177.19 1b8t n ALA 146 N 4.76 4.34 0.00 0.00 0.00 -0.57 -0.19 120.51 128.85 1b8t n ALA 146 Ca 0.12 -1.44 0.00 0.00 0.00 0.00 0.00 53.44 52.12 1b8t n ALA 146 Cb 0.44 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1b8t n ALA 146 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1b8t n LYS 147 N -0.05 0.00 -0.01 0.00 4.81 -1.26 -4.87 118.16 116.79 1b8t n LYS 147 Ca 0.28 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.77 1b8t n LYS 147 Cb 0.89 -0.32 -0.08 0.00 0.02 0.00 0.00 35.03 35.53 1b8t n LYS 147 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1b8t n GLY 149 N 1.91 2.29 3.77 0.00 0.00 0.74 -5.00 105.19 108.89 1b8t n GLY 149 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1b8t n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b8t s LYS 150 N -0.24 3.79 0.74 1.61 -0.14 -1.26 -4.34 119.74 119.90 1b8t s LYS 150 Ca 0.00 2.33 -0.14 0.00 -1.36 0.00 0.00 55.97 56.80 1b8t s LYS 150 Cb 0.00 -2.69 0.04 0.00 -1.68 0.00 0.00 37.83 33.50 1b8t s LYS 150 CO 0.00 -0.70 1.16 -1.12 -0.76 0.00 0.00 175.35 173.93 1b8t s SER 151 N -0.59 4.33 0.26 2.83 0.01 -1.26 -0.41 113.70 118.87 1b8t s SER 151 Ca 0.59 2.17 0.01 0.00 1.31 0.00 0.00 55.95 60.04 1b8t s SER 151 Cb -0.42 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.26 1b8t s SER 151 CO 0.54 -2.16 0.11 0.18 0.41 0.00 0.00 173.24 172.32 1b8t n LEU 152 N -2.91 0.00 -0.83 2.44 4.77 0.41 -4.75 117.00 116.13 1b8t n LEU 152 Ca 0.12 -1.46 0.00 0.00 -0.03 0.00 0.00 56.01 54.64 1b8t n LEU 152 Cb 0.51 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1b8t n LEU 152 CO 0.48 -0.33 0.00 1.21 -1.33 0.00 0.00 177.39 177.42 1b8t n GLU 153 N -0.91 0.00 0.07 3.23 0.00 -1.26 -4.75 120.64 117.02 1b8t n GLU 153 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.11 1b8t n GLU 153 Cb 0.31 -1.45 0.00 0.00 0.00 0.00 0.00 31.44 30.30 1b8t n GLU 153 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1b8t n SER 154 N -0.83 -0.95 -0.03 4.31 7.64 -1.26 -5.03 113.62 117.48 1b8t n SER 154 Ca 0.00 0.26 -0.04 0.00 1.01 0.00 0.00 58.87 60.11 1b8t n SER 154 Cb 0.34 1.11 -0.01 0.00 -1.01 0.00 0.00 64.21 64.64 1b8t n SER 154 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1b8t n THR 155 N -2.84 0.86 -3.65 0.44 -2.24 -1.26 -5.09 114.28 100.50 1b8t n THR 155 Ca 0.00 0.27 0.01 0.00 -2.27 0.00 0.00 64.05 62.07 1b8t n THR 155 Cb 0.00 -1.83 -0.06 0.00 -2.10 0.00 0.00 70.33 66.34 1b8t n THR 155 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1b8t s THR 156 N -2.00 -0.00 -0.27 4.28 2.01 -1.26 -5.03 115.64 113.36 1b8t s THR 156 Ca -0.13 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 61.73 1b8t s THR 156 Cb 0.02 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 1b8t s THR 156 CO 0.19 0.00 0.37 -0.22 -0.69 0.00 0.00 174.62 174.26 1b8t s LEU 157 N 1.12 4.05 0.31 4.42 2.96 -1.26 -0.38 118.68 129.88 1b8t s LEU 157 Ca -0.08 0.26 -0.12 0.00 -0.22 0.00 0.00 54.13 53.97 1b8t s LEU 157 Cb -0.03 -2.41 -0.08 0.00 0.50 0.00 0.00 46.19 44.17 1b8t s LEU 157 CO -0.11 -0.18 0.68 0.00 -1.32 0.00 0.00 176.35 175.42 1b8t s ALA 158 N 2.06 3.40 -0.25 5.97 0.00 0.97 -4.89 121.76 129.02 1b8t s ALA 158 Ca 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.99 1b8t s ALA 158 Cb -0.16 -2.65 0.08 0.00 0.00 0.00 0.00 23.12 20.39 1b8t s ALA 158 CO 0.10 0.33 0.04 0.16 0.00 0.00 0.00 175.76 176.39 1b8t s ASP 159 N -2.46 3.52 -0.71 0.00 1.47 -1.26 -0.67 116.67 116.57 1b8t s ASP 159 Ca 0.51 -1.21 -0.15 0.00 1.18 0.00 0.00 52.55 52.89 1b8t s ASP 159 Cb -0.10 -0.81 0.18 0.00 -0.34 0.00 0.00 42.92 41.84 1b8t s ASP 159 CO 0.21 -0.33 0.65 -0.75 0.68 0.00 0.00 175.17 175.63 1b8t s LYS 160 N 1.67 3.34 -0.66 2.11 2.20 0.11 -4.70 119.74 123.82 1b8t s LYS 160 Ca 0.02 -2.16 -0.12 0.00 -0.36 0.00 0.00 55.97 53.35 1b8t s LYS 160 Cb -0.17 -4.37 0.02 0.00 -1.51 0.00 0.00 37.83 31.80 1b8t s LYS 160 CO -0.14 -1.30 0.58 -0.25 -0.36 0.00 0.00 175.35 173.87 1b8t n ASP 161 N 4.48 -4.64 0.00 1.43 8.00 -1.26 -0.24 116.55 124.32 1b8t n ASP 161 Ca 0.03 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.85 1b8t n ASP 161 Cb 0.44 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.07 1b8t n ASP 161 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b8t n GLY 162 N -1.12 2.03 3.61 0.44 0.00 -1.26 -4.98 105.19 103.91 1b8t n GLY 162 Ca -0.23 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 1b8t n GLY 162 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b8t n GLU 163 N 0.00 0.41 -4.31 1.61 -0.58 0.66 -4.88 120.64 113.55 1b8t n GLU 163 Ca 0.00 0.20 -0.21 0.00 -0.42 0.00 0.00 57.16 56.73 1b8t n GLU 163 Cb 0.00 -2.22 -0.16 0.00 -0.57 0.00 0.00 31.44 28.49 1b8t n GLU 163 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1b8t s ILE 164 N -1.90 0.71 0.28 -3.67 -4.36 -1.26 0.08 121.20 111.09 1b8t s ILE 164 Ca 0.72 -0.26 0.05 0.00 -0.26 0.00 0.00 60.65 60.90 1b8t s ILE 164 Cb -0.33 -0.68 -0.02 0.00 1.25 0.00 0.00 42.46 42.68 1b8t s ILE 164 CO 0.52 0.25 0.28 -1.22 0.24 0.00 0.00 174.94 175.00 1b8t n TYR 165 N 3.75 -0.81 -3.61 1.37 4.01 0.16 -1.52 117.16 120.50 1b8t n TYR 165 Ca -0.23 -2.27 -0.33 0.00 -0.16 0.00 0.00 57.90 54.91 1b8t n TYR 165 Cb 0.52 0.30 -0.05 0.00 -0.31 0.00 0.00 39.34 39.80 1b8t n TYR 165 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1b8t h LYS 167 N 3.34 0.41 -0.17 0.00 3.64 -1.07 1.57 116.57 124.29 1b8t h LYS 167 Ca -0.48 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 58.92 1b8t h LYS 167 Cb 1.18 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1b8t h LYS 167 CO 0.69 0.27 0.12 0.78 -2.27 0.00 0.00 179.45 179.04 1b8t h GLY 168 N 0.42 0.02 0.35 5.01 0.00 -1.93 0.44 103.07 107.38 1b8t h GLY 168 Ca 0.65 -0.01 -0.11 0.00 0.00 0.00 0.00 47.33 47.86 1b8t h GLY 168 CO -0.55 0.01 -0.51 0.00 0.00 0.00 0.00 176.54 175.49 1b8t h TYR 170 N -0.67 0.35 0.00 0.00 3.20 -0.09 0.44 116.97 120.20 1b8t h TYR 170 Ca -0.10 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.78 1b8t h TYR 170 Cb 1.35 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.51 1b8t h TYR 170 CO 0.23 0.21 -0.04 0.00 -1.64 0.00 0.00 178.16 176.92 1b8t h ALA 171 N 1.80 0.00 -0.26 1.82 0.00 -0.22 -3.23 119.26 119.17 1b8t h ALA 171 Ca 0.14 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1b8t h ALA 171 Cb 0.09 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 1b8t h ALA 171 CO -0.03 0.04 -0.50 0.87 0.00 0.00 0.00 179.25 179.62 1b8t h LYS 172 N -0.61 -0.43 -1.00 0.00 1.79 -1.03 0.53 116.57 115.82 1b8t h LYS 172 Ca 0.00 0.03 0.41 0.00 -2.18 0.00 0.00 60.65 58.91 1b8t h LYS 172 Cb 0.04 0.10 -0.17 0.00 -1.58 0.00 0.00 32.23 30.62 1b8t h LYS 172 CO 0.00 -0.28 0.56 0.09 -1.08 0.00 0.00 179.45 178.73 1b8t n ASN 173 N -5.15 0.32 -3.03 0.86 4.13 0.15 -0.25 115.26 112.29 1b8t n ASN 173 Ca -0.04 1.56 -0.25 0.00 1.68 0.00 0.00 54.58 57.52 1b8t n ASN 173 Cb 0.33 -0.76 -0.04 0.00 -1.54 0.00 0.00 39.78 37.76 1b8t n ASN 173 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1b8t n PHE 174 N -5.10 3.29 -3.16 3.10 3.72 0.15 -4.89 117.46 114.56 1b8t n PHE 174 Ca 0.37 -3.97 -0.23 0.00 -0.05 0.00 0.00 57.45 53.57 1b8t n PHE 174 Cb 1.27 -0.48 -0.06 0.00 -0.94 0.00 0.00 39.48 39.27 1b8t n PHE 174 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b8t n GLY 175 N -0.04 2.76 3.76 1.37 0.00 0.65 -4.79 105.19 108.90 1b8t n GLY 175 Ca 0.30 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 1b8t n GLY 175 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b8t s PRO 176 N -1.17 -0.56 -0.42 1.61 0.04 -1.26 -4.92 135.00 128.32 1b8t s PRO 176 Ca 0.35 -0.34 0.08 0.00 0.04 0.00 0.00 61.00 61.13 1b8t s PRO 176 Cb 0.19 -1.70 0.31 0.00 0.04 0.00 0.00 34.50 33.33 1b8t s PRO 176 CO -0.11 -3.22 0.84 1.17 0.04 0.00 0.00 177.00 175.71 1b8t n LYS 177 N -4.35 0.91 0.00 4.56 4.81 -1.26 -5.07 118.16 117.76 1b8t n LYS 177 Ca 0.16 -2.64 0.00 0.00 -0.87 0.00 0.00 58.31 54.95 1b8t n LYS 177 Cb 0.59 -1.37 0.00 0.00 0.02 0.00 0.00 35.03 34.27 1b8t n LYS 177 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1b8t n GLY 178 N 0.72 -0.53 3.14 3.14 0.00 -1.26 -5.16 105.19 105.25 1b8t n GLY 178 Ca 0.16 0.63 -0.12 0.00 0.00 0.00 0.00 46.02 46.68 1b8t n GLY 178 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1b8t s PHE 179 N 2.68 -0.17 0.04 1.61 -0.71 -1.26 -5.17 117.98 115.00 1b8t s PHE 179 Ca 0.00 0.39 0.00 0.00 -1.04 0.00 0.00 56.93 56.28 1b8t s PHE 179 Cb 0.00 0.06 -0.03 0.00 -1.21 0.00 0.00 43.02 41.84 1b8t s PHE 179 CO 0.00 -0.21 -0.04 0.20 -1.34 0.00 0.00 175.22 173.82 1b8t s GLY 180 N -0.51 0.39 0.10 1.99 0.00 -1.26 -5.17 107.32 102.87 1b8t s GLY 180 Ca -0.06 -0.81 -0.06 0.00 0.00 0.00 0.00 44.72 43.79 1b8t s GLY 180 CO 0.01 -0.89 0.15 -1.36 0.00 0.00 0.00 173.10 171.01 1b8t s PHE 181 N -2.09 0.38 0.00 1.90 0.40 -1.26 -5.13 117.98 112.18 1b8t s PHE 181 Ca -0.08 -0.81 0.00 0.00 -0.60 0.00 0.00 56.93 55.44 1b8t s PHE 181 Cb -0.05 -0.18 0.00 0.00 0.51 0.00 0.00 43.02 43.29 1b8t s PHE 181 CO -0.03 -0.55 0.00 0.41 0.70 0.00 0.00 175.22 175.76 1b8t n GLY 182 N -0.06 3.34 3.77 4.36 0.00 -1.26 -5.19 105.19 110.14 1b8t n GLY 182 Ca -0.12 -0.61 -0.08 0.00 0.00 0.00 0.00 46.02 45.21 1b8t n GLY 182 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1b8t s GLN 183 N -3.07 1.69 0.00 1.61 0.74 -1.26 -5.19 119.66 114.19 1b8t s GLN 183 Ca 0.00 -0.99 0.00 0.00 0.05 0.00 0.00 55.36 54.42 1b8t s GLN 183 Cb 0.00 0.58 0.00 0.00 1.10 0.00 0.00 33.01 34.69 1b8t s GLN 183 CO 0.00 -0.76 0.00 0.41 -0.55 0.00 0.00 175.29 174.39 1b8t n GLY 184 N -0.43 5.08 3.35 2.59 0.00 -1.26 -5.19 105.19 109.32 1b8t n GLY 184 Ca -0.05 -1.38 -0.10 0.00 0.00 0.00 0.00 46.02 44.49 1b8t n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b8t s ALA 185 N -1.95 0.23 -0.02 4.61 0.00 -1.26 -5.17 121.76 118.20 1b8t s ALA 185 Ca 0.00 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 50.93 1b8t s ALA 185 Cb 0.00 0.99 -0.01 0.00 0.00 0.00 0.00 23.12 24.10 1b8t s ALA 185 CO 0.00 -0.66 -0.15 0.20 0.00 0.00 0.00 175.76 175.15 1b8t s GLY 186 N -3.02 0.75 0.21 0.00 0.00 -1.26 -5.15 107.32 98.86 1b8t s GLY 186 Ca 0.22 -0.61 0.11 0.00 0.00 0.00 0.00 44.72 44.45 1b8t s GLY 186 CO 0.04 -0.42 -0.20 0.00 0.00 0.00 0.00 173.10 172.52 1b8t s ALA 187 N -0.16 2.67 -1.25 3.20 0.00 -1.26 -5.05 121.76 119.92 1b8t s ALA 187 Ca 0.02 -1.66 -0.16 0.00 0.00 0.00 0.00 51.96 50.15 1b8t s ALA 187 Cb -0.08 -0.40 0.11 0.00 0.00 0.00 0.00 23.12 22.76 1b8t s ALA 187 CO 0.00 0.40 1.59 -0.51 0.00 0.00 0.00 175.76 177.24 1b8t s LEU 188 N -2.91 4.37 0.16 0.00 1.02 -1.26 -4.97 118.68 115.09 1b8t s LEU 188 Ca 0.24 -2.65 -0.30 0.00 0.02 0.00 0.00 54.13 51.44 1b8t s LEU 188 Cb -0.07 -2.50 -0.07 0.00 0.02 0.00 0.00 46.19 43.57 1b8t s LEU 188 CO 0.12 -0.99 0.94 -0.63 0.02 0.00 0.00 176.35 175.81 1b8t s ILE 189 N 3.08 4.35 -0.47 -0.59 1.09 -1.26 -5.00 121.20 122.40 1b8t s ILE 189 Ca 0.49 2.05 -0.22 0.00 -1.10 0.00 0.00 60.65 61.86 1b8t s ILE 189 Cb 0.01 -4.31 0.03 0.00 -1.06 0.00 0.00 42.46 37.13 1b8t s ILE 189 CO 0.04 0.39 0.76 -1.00 -0.10 0.00 0.00 174.94 175.03 1b8t s HIS 190 N -0.46 2.99 -0.34 3.97 3.76 -1.26 -4.97 115.29 118.97 1b8t s HIS 190 Ca 0.44 0.03 -0.32 0.00 -0.15 0.00 0.00 55.06 55.06 1b8t s HIS 190 Cb -0.24 -3.64 -0.10 0.00 1.11 0.00 0.00 32.58 29.71 1b8t s HIS 190 CO 0.30 -1.01 2.24 -1.13 -0.85 0.00 0.00 174.74 174.29 1b8t n SER 191 N 6.67 2.40 -0.75 1.40 3.41 -1.26 -5.33 113.62 120.16 1b8t n SER 191 Ca 0.01 0.26 0.09 0.00 -0.26 0.00 0.00 58.87 58.97 1b8t n SER 191 Cb 0.48 -1.36 0.08 0.00 -0.26 0.00 0.00 64.21 63.14 1b8t n SER 191 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88