#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8t s PRO 2 N 0.00 3.43 0.45 0.03 0.04 -1.26 -5.00 135.00 132.69 1b8t s PRO 2 Ca 0.00 0.77 0.02 0.00 0.04 0.00 0.00 61.00 61.83 1b8t s PRO 2 Cb 0.00 -4.08 0.01 0.00 0.04 0.00 0.00 34.50 30.47 1b8t s PRO 2 CO 0.00 -1.75 0.65 1.21 0.04 0.00 0.00 177.00 177.14 1b8t s ASN 3 N 4.34 5.71 0.19 6.66 2.47 -1.26 -5.12 114.94 127.94 1b8t s ASN 3 Ca 0.59 0.06 0.05 0.00 0.42 0.00 0.00 52.86 53.98 1b8t s ASN 3 Cb -0.13 -1.24 -0.05 0.00 -1.45 0.00 0.00 41.25 38.39 1b8t s ASN 3 CO 0.30 -0.76 -0.09 -1.66 -3.72 0.00 0.00 177.10 171.17 1b8t s TRP 4 N -2.51 1.52 0.00 0.43 1.48 -1.26 -5.14 118.94 113.46 1b8t s TRP 4 Ca 0.50 -0.74 0.00 0.00 -1.06 0.00 0.00 56.10 54.80 1b8t s TRP 4 Cb -0.10 -0.79 0.00 0.00 -1.16 0.00 0.00 33.47 31.42 1b8t s TRP 4 CO 0.36 0.15 0.00 0.41 -4.06 0.00 0.00 176.95 173.81 1b8t n GLY 5 N -0.33 3.24 0.00 3.67 0.00 -1.26 -5.19 105.19 105.32 1b8t n GLY 5 Ca -0.08 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.32 2.09 0.00 -0.02 0.00 -1.26 -5.18 105.19 99.50 1b8t n GLY 6 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1b8t n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b8t n GLY 7 N -0.49 2.40 3.77 -0.02 0.00 -1.26 -4.93 105.19 104.66 1b8t n GLY 7 Ca 0.00 -1.81 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 1b8t n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b8t s LYS 8 N 4.30 2.20 -0.23 1.61 2.47 0.05 -4.94 119.74 125.20 1b8t s LYS 8 Ca 0.00 -2.41 0.00 0.00 -1.56 0.00 0.00 55.97 52.00 1b8t s LYS 8 Cb 0.00 -1.53 0.06 0.00 -1.46 0.00 0.00 37.83 34.90 1b8t s LYS 8 CO 0.00 -0.37 -0.04 -1.59 0.16 0.00 0.00 175.35 173.51 1b8t s LYS 9 N -3.89 1.47 -0.51 4.03 0.00 -1.26 0.06 119.74 119.64 1b8t s LYS 9 Ca 0.05 -0.92 -0.28 0.00 0.00 0.00 0.00 55.97 54.82 1b8t s LYS 9 Cb 0.01 -2.52 0.00 0.00 0.00 0.00 0.00 37.83 35.32 1b8t s LYS 9 CO 0.03 -0.61 1.57 0.00 0.00 0.00 0.00 175.35 176.33 1b8t n GLY 11 N 5.34 -0.99 0.03 0.00 0.00 -1.16 -0.10 105.19 108.31 1b8t n GLY 11 Ca 0.16 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.70 0.52 0.15 1.61 0.31 -1.26 -4.56 118.33 114.41 1b8t n VAL 12 Ca 0.09 0.39 0.09 0.00 -0.01 0.00 0.00 64.34 64.90 1b8t n VAL 12 Cb 0.04 -1.82 0.07 0.00 -0.91 0.00 0.00 33.84 31.23 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 -2.99 0.00 -4.29 0.00 7.27 0.86 -5.06 117.38 113.17 1b8t n GLN 14 Ca 0.01 0.06 -0.30 0.00 0.07 0.00 0.00 57.00 56.85 1b8t n GLN 14 Cb 0.60 -3.01 -0.11 0.00 2.41 0.00 0.00 30.24 30.14 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 -3.26 1.91 0.16 3.69 2.36 -1.04 -4.89 119.74 118.66 1b8t s LYS 15 Ca 0.00 -1.12 -0.30 0.00 -2.55 0.00 0.00 55.97 52.00 1b8t s LYS 15 Cb 0.00 -2.18 -0.07 0.00 -1.05 0.00 0.00 37.83 34.53 1b8t s LYS 15 CO 0.00 0.49 1.14 0.00 1.55 0.00 0.00 175.35 178.53 1b8t s ALA 16 N -1.16 3.39 0.19 3.13 0.00 -1.26 0.03 121.76 126.07 1b8t s ALA 16 Ca 0.19 0.85 0.01 0.00 0.00 0.00 0.00 51.96 53.01 1b8t s ALA 16 Cb -0.11 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1b8t s ALA 16 CO 0.11 -0.29 0.35 0.08 0.00 0.00 0.00 175.76 176.01 1b8t s VAL 17 N 0.03 5.25 -0.52 0.00 1.01 0.11 -4.85 120.40 121.43 1b8t s VAL 17 Ca 0.52 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 62.05 1b8t s VAL 17 Cb -0.30 -3.74 0.37 0.00 0.00 0.00 0.00 36.38 32.70 1b8t s VAL 17 CO 0.34 -0.16 0.98 0.00 0.00 0.00 0.00 175.10 176.27 1b8t n TYR 18 N -0.67 3.52 -1.04 5.22 4.11 -1.26 -0.77 117.16 126.26 1b8t n TYR 18 Ca -0.06 -3.68 0.12 0.00 -0.00 0.00 0.00 57.90 54.28 1b8t n TYR 18 Cb 0.54 -0.36 -0.04 0.00 -0.00 0.00 0.00 39.34 39.48 1b8t n TYR 18 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 1b8t n PHE 19 N -0.28 -2.35 0.00 -3.48 7.35 -1.26 -4.62 117.46 112.82 1b8t n PHE 19 Ca 0.32 1.21 0.00 0.00 -0.76 0.00 0.00 57.45 58.23 1b8t n PHE 19 Cb 0.50 -2.14 0.00 0.00 0.35 0.00 0.00 39.48 38.20 1b8t n PHE 19 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1b8t n ALA 20 N -2.44 0.00 -0.01 3.13 0.00 -1.26 -3.96 120.51 115.98 1b8t n ALA 20 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.25 1b8t n ALA 20 Cb 0.61 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.97 1b8t n ALA 20 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1b8t h GLU 21 N 0.00 0.57 -5.66 0.00 4.57 -1.96 -3.46 114.58 108.65 1b8t h GLU 21 Ca 0.00 -0.52 -0.77 0.00 -1.18 0.00 0.00 59.36 56.88 1b8t h GLU 21 Cb 0.00 0.13 0.03 0.00 -0.16 0.00 0.00 28.75 28.75 1b8t h GLU 21 CO 0.00 1.15 0.25 -0.85 -1.18 0.00 0.00 179.01 178.38 1b8t n GLU 22 N -4.12 0.00 -4.02 1.92 -0.00 -1.25 -1.81 120.64 111.36 1b8t n GLU 22 Ca -0.09 0.00 -0.31 0.00 -0.00 0.00 0.00 57.16 56.76 1b8t n GLU 22 Cb 0.69 -1.42 -0.16 0.00 -0.00 0.00 0.00 31.44 30.55 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 0.94 1.67 0.05 3.84 1.01 0.13 -4.86 120.40 123.20 1b8t s VAL 23 Ca 0.90 -0.82 -0.31 0.00 0.00 0.00 0.00 61.98 61.76 1b8t s VAL 23 Cb -1.27 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 1b8t s VAL 23 CO 0.62 0.36 1.19 0.00 0.00 0.00 0.00 175.10 177.27 1b8t s GLN 24 N 1.42 4.43 -0.04 2.72 0.00 -1.26 -0.89 119.66 126.04 1b8t s GLN 24 Ca 0.03 1.76 -0.02 0.00 -0.00 0.00 0.00 55.36 57.12 1b8t s GLN 24 Cb -0.14 -3.36 0.02 0.00 0.00 0.00 0.00 33.01 29.53 1b8t s GLN 24 CO -0.10 -0.26 0.09 0.00 0.00 0.00 0.00 175.29 175.02 1b8t n GLU 26 N 3.76 0.00 0.00 0.00 0.28 -1.26 0.21 120.64 123.63 1b8t n GLU 26 Ca -0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.79 1b8t n GLU 26 Cb 0.54 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.91 1b8t n GLU 26 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1b8t n GLY 27 N 6.76 3.23 1.35 -1.84 0.00 -1.26 -5.05 105.19 108.38 1b8t n GLY 27 Ca 0.63 -0.79 -0.03 0.00 0.00 0.00 0.00 46.02 45.82 1b8t n GLY 27 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1b8t n SER 28 N 0.00 -0.81 -4.33 1.61 2.88 0.13 -5.17 113.62 107.93 1b8t n SER 28 Ca 0.00 -1.59 -0.29 0.00 -1.33 0.00 0.00 58.87 55.66 1b8t n SER 28 Cb 0.00 1.36 -0.15 0.00 -0.75 0.00 0.00 64.21 64.67 1b8t n SER 28 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1b8t s SER 29 N -1.75 3.06 0.18 -3.46 0.01 -1.26 -0.38 113.70 110.10 1b8t s SER 29 Ca 0.06 -0.58 0.02 0.00 1.31 0.00 0.00 55.95 56.76 1b8t s SER 29 Cb -0.02 -0.28 -0.05 0.00 0.21 0.00 0.00 66.02 65.89 1b8t s SER 29 CO 0.05 0.24 -0.01 -0.36 0.41 0.00 0.00 173.24 173.57 1b8t s PHE 30 N -0.80 1.29 0.58 2.43 0.08 -0.07 -2.99 117.98 118.49 1b8t s PHE 30 Ca 0.11 -0.98 -0.20 0.00 0.12 0.00 0.00 56.93 55.99 1b8t s PHE 30 Cb -0.10 -0.73 -0.04 0.00 -0.57 0.00 0.00 43.02 41.58 1b8t s PHE 30 CO 0.02 -0.15 1.24 -1.01 -0.10 0.00 0.00 175.22 175.22 1b8t s HIS 31 N -3.58 2.39 0.15 0.36 3.76 -1.26 0.22 115.29 117.33 1b8t s HIS 31 Ca 0.24 1.49 -0.22 0.00 -0.15 0.00 0.00 55.06 56.42 1b8t s HIS 31 Cb 0.06 -3.55 0.04 0.00 1.11 0.00 0.00 32.58 30.24 1b8t s HIS 31 CO 0.05 -2.35 1.63 -0.22 -0.85 0.00 0.00 174.74 173.00 1b8t h LYS 32 N 1.08 -0.21 -0.09 1.40 3.64 -1.69 0.54 116.57 121.24 1b8t h LYS 32 Ca -0.50 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 58.84 1b8t h LYS 32 Cb 1.30 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.16 1b8t h LYS 32 CO 0.56 -0.14 -0.19 1.03 -2.27 0.00 0.00 179.45 178.44 1b8t h SER 33 N -0.22 0.14 -0.02 4.20 0.87 -1.91 -2.56 113.55 114.05 1b8t h SER 33 Ca 0.15 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1b8t h SER 33 Cb 0.45 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1b8t h SER 33 CO -0.41 0.34 0.01 0.00 -0.53 0.00 0.00 176.83 176.23 1b8t s PHE 35 N -5.57 1.67 -0.04 0.00 2.19 0.16 -4.88 117.98 111.51 1b8t s PHE 35 Ca -0.14 0.89 -0.02 0.00 0.33 0.00 0.00 56.93 57.99 1b8t s PHE 35 Cb 0.05 -3.94 0.02 0.00 -1.31 0.00 0.00 43.02 37.85 1b8t s PHE 35 CO 0.67 -1.77 0.09 -1.17 1.83 0.00 0.00 175.22 174.87 1b8t s LEU 36 N 10.85 1.24 -0.36 6.12 0.20 -1.26 -1.34 118.68 134.14 1b8t s LEU 36 Ca 0.74 0.18 -0.36 0.00 0.69 0.00 0.00 54.13 55.37 1b8t s LEU 36 Cb -0.08 0.22 -0.12 0.00 -0.43 0.00 0.00 46.19 45.77 1b8t s LEU 36 CO 0.03 -0.09 2.16 0.00 -0.29 0.00 0.00 176.35 178.15 1b8t n MET 38 N 7.97 0.68 0.00 0.00 2.81 -0.05 0.14 117.12 128.68 1b8t n MET 38 Ca 0.42 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.31 1b8t n MET 38 Cb 0.19 -1.37 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 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 -0.87 0.00 0.46 2.03 0.31 -1.26 -4.54 118.33 114.46 1b8t n VAL 39 Ca 0.12 0.23 0.11 0.00 -0.01 0.00 0.00 64.34 64.80 1b8t n VAL 39 Cb 0.06 -1.19 0.46 0.00 -0.91 0.00 0.00 33.84 32.26 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 -2.13 -0.71 -3.72 0.00 5.02 0.12 -4.99 118.16 111.75 1b8t n LYS 41 Ca 0.03 0.82 -0.36 0.00 -2.02 0.00 0.00 58.31 56.78 1b8t n LYS 41 Cb 0.25 -4.76 -0.07 0.00 -0.02 0.00 0.00 35.03 30.43 1b8t n LYS 41 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1b8t s LYS 42 N -3.00 4.04 0.43 1.97 2.20 -1.13 -4.82 119.74 119.43 1b8t s LYS 42 Ca 0.00 -0.13 -0.21 0.00 -0.36 0.00 0.00 55.97 55.26 1b8t s LYS 42 Cb 0.00 -3.37 -0.13 0.00 -1.51 0.00 0.00 37.83 32.82 1b8t s LYS 42 CO 0.00 0.40 0.39 -1.71 -0.36 0.00 0.00 175.35 174.07 1b8t n ASN 43 N 3.17 -1.56 -4.23 1.43 5.15 -1.26 -0.28 115.26 117.68 1b8t n ASN 43 Ca -0.16 0.85 -0.28 0.00 -0.60 0.00 0.00 54.58 54.39 1b8t n ASN 43 Cb 0.53 -1.04 -0.16 0.00 -0.53 0.00 0.00 39.78 38.57 1b8t n ASN 43 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1b8t s LEU 44 N 2.51 2.03 -0.13 1.20 1.43 -0.45 -4.52 118.68 120.75 1b8t s LEU 44 Ca 0.62 -0.40 -0.26 0.00 -1.03 0.00 0.00 54.13 53.06 1b8t s LEU 44 Cb -0.59 -1.14 0.06 0.00 0.03 0.00 0.00 46.19 44.55 1b8t s LEU 44 CO 0.59 0.25 0.64 1.51 0.23 0.00 0.00 176.35 179.57 1b8t s ASP 45 N -0.39 -0.63 0.06 2.29 1.47 -1.26 -4.55 116.67 113.65 1b8t s ASP 45 Ca 0.05 0.90 0.00 0.00 1.18 0.00 0.00 52.55 54.69 1b8t s ASP 45 Cb -0.10 0.84 0.00 0.00 -0.34 0.00 0.00 42.92 43.32 1b8t s ASP 45 CO 0.00 -0.44 0.00 -0.24 0.68 0.00 0.00 175.17 175.17 1b8t n SER 46 N 1.66 -1.42 -3.45 2.11 2.88 -1.26 -4.93 113.62 109.21 1b8t n SER 46 Ca -0.17 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1b8t n SER 46 Cb 0.56 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 1b8t n SER 46 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1b8t n THR 47 N -1.70 0.00 -1.34 2.46 5.66 -1.26 -4.27 114.28 113.83 1b8t n THR 47 Ca 0.00 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.87 1b8t n THR 47 Cb 0.11 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.83 1b8t n THR 47 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1b8t n THR 48 N 0.00 0.00 -4.24 1.09 -2.24 -1.26 -4.91 114.28 102.72 1b8t n THR 48 Ca 0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 1b8t n THR 48 Cb 0.00 -1.35 -0.08 0.00 -2.10 0.00 0.00 70.33 66.80 1b8t n THR 48 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1b8t s VAL 49 N -2.07 2.69 0.16 2.28 0.11 -1.26 -0.93 120.40 121.37 1b8t s VAL 49 Ca 0.00 -1.84 -0.07 0.00 -2.93 0.00 0.00 61.98 57.14 1b8t s VAL 49 Cb 0.00 -2.89 -0.02 0.00 -1.53 0.00 0.00 36.38 31.95 1b8t s VAL 49 CO 0.00 -0.16 0.23 0.00 -3.33 0.00 0.00 175.10 171.83 1b8t s ALA 50 N -2.50 0.23 0.46 1.54 0.00 0.29 -4.68 121.76 117.09 1b8t s ALA 50 Ca 0.37 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 51.32 1b8t s ALA 50 Cb -0.00 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 1b8t s ALA 50 CO 0.21 -0.61 0.01 0.08 0.00 0.00 0.00 175.76 175.45 1b8t s VAL 51 N -3.99 1.51 -0.30 0.00 1.01 -1.26 -1.28 120.40 116.09 1b8t s VAL 51 Ca 0.19 -2.00 -0.08 0.00 0.00 0.00 0.00 61.98 60.09 1b8t s VAL 51 Cb 0.04 -2.56 0.18 0.00 0.00 0.00 0.00 36.38 34.05 1b8t s VAL 51 CO 0.01 0.00 0.88 -1.00 0.00 0.00 0.00 175.10 174.99 1b8t s HIS 52 N -2.83 -0.93 0.00 5.22 3.76 0.40 -4.80 115.29 116.11 1b8t s HIS 52 Ca 0.20 0.96 0.00 0.00 -0.15 0.00 0.00 55.06 56.08 1b8t s HIS 52 Cb 0.06 0.32 0.00 0.00 1.11 0.00 0.00 32.58 34.06 1b8t s HIS 52 CO 0.10 -0.51 0.00 0.41 -0.85 0.00 0.00 174.74 173.89 1b8t n GLY 53 N 5.45 1.92 2.49 -2.22 0.00 -1.26 0.28 105.19 111.84 1b8t n GLY 53 Ca -0.04 0.46 -0.32 0.00 0.00 0.00 0.00 46.02 46.13 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 6.97 6.09 -3.54 1.61 5.75 -1.26 -4.97 116.55 127.20 1b8t n ASP 54 Ca 0.00 -3.77 -0.12 0.00 -0.01 0.00 0.00 54.79 50.89 1b8t n ASP 54 Cb 0.00 -0.70 -0.04 0.00 -1.03 0.00 0.00 41.12 39.35 1b8t n ASP 54 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1b8t s GLU 55 N -3.76 1.13 -0.04 0.11 2.02 0.14 -5.17 118.70 113.14 1b8t s GLU 55 Ca 0.53 -0.49 0.06 0.00 0.02 0.00 0.00 54.97 55.08 1b8t s GLU 55 Cb 0.43 0.51 -0.01 0.00 0.10 0.00 0.00 34.13 35.16 1b8t s GLU 55 CO -0.18 -0.45 -0.21 0.96 0.02 0.00 0.00 175.26 175.39 1b8t s ILE 56 N -3.40 1.74 0.04 -1.63 -4.36 -1.26 -0.45 121.20 111.86 1b8t s ILE 56 Ca -0.00 -0.91 0.02 0.00 -0.26 0.00 0.00 60.65 59.50 1b8t s ILE 56 Cb 0.00 -1.46 -0.02 0.00 1.25 0.00 0.00 42.46 42.22 1b8t s ILE 56 CO -0.09 0.49 -0.07 -0.31 0.24 0.00 0.00 174.94 175.20 1b8t s TYR 57 N -0.24 0.56 0.45 1.37 2.02 -0.41 -0.87 117.35 120.23 1b8t s TYR 57 Ca 0.01 -0.50 -0.21 0.00 -0.37 0.00 0.00 57.07 56.00 1b8t s TYR 57 Cb -0.11 -0.35 -0.10 0.00 -0.40 0.00 0.00 41.96 41.01 1b8t s TYR 57 CO 0.01 -0.11 0.99 0.00 -1.57 0.00 0.00 175.55 174.87 1b8t n LYS 59 N -0.76 0.00 -0.04 0.00 3.00 -0.11 -0.30 118.16 119.95 1b8t n LYS 59 Ca 0.08 0.83 -0.01 0.00 -0.00 0.00 0.00 58.31 59.21 1b8t n LYS 59 Cb 0.53 -1.31 -0.01 0.00 0.00 0.00 0.00 35.03 34.24 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 -2.43 -0.10 -0.38 3.14 2.88 -1.26 0.13 113.62 115.60 1b8t n SER 60 Ca 0.00 0.68 -0.08 0.00 -1.33 0.00 0.00 58.87 58.14 1b8t n SER 60 Cb 0.00 -0.28 -0.05 0.00 -0.75 0.00 0.00 64.21 63.13 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 -0.03 -1.26 0.00 0.00 3.20 0.42 1.62 116.97 120.91 1b8t h TYR 62 Ca 0.22 0.09 -0.01 0.00 3.14 0.00 0.00 58.73 62.18 1b8t h TYR 62 Cb 0.49 0.66 -0.00 0.00 1.54 0.00 0.00 36.73 39.42 1b8t h TYR 62 CO -0.95 -0.41 -0.03 0.78 -1.64 0.00 0.00 178.16 175.92 1b8t h GLY 63 N -0.12 0.00 0.69 1.82 0.00 0.19 -0.20 103.07 105.45 1b8t h GLY 63 Ca 0.23 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.43 1b8t h GLY 63 CO -0.81 0.00 -0.52 1.70 0.00 0.00 0.00 176.54 176.91 1b8t h LYS 64 N 0.00 0.34 -0.09 4.80 3.11 0.64 0.38 116.57 125.75 1b8t h LYS 64 Ca -0.00 -0.38 -0.01 0.00 -2.81 0.00 0.00 60.65 57.45 1b8t h LYS 64 Cb 0.20 0.11 -0.00 0.00 -1.00 0.00 0.00 32.23 31.53 1b8t h LYS 64 CO 0.00 1.06 0.01 0.87 -2.81 0.00 0.00 179.45 178.59 1b8t h LYS 65 N -0.22 0.15 -0.02 1.90 1.57 0.46 -3.21 116.57 117.19 1b8t h LYS 65 Ca -0.07 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1b8t h LYS 65 Cb 1.25 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.54 1b8t h LYS 65 CO 0.10 0.38 -0.00 1.88 -0.57 0.00 0.00 179.45 181.24 1b8t h TYR 66 N -0.10 0.04 -3.59 -1.35 0.05 -1.15 -3.50 116.97 107.38 1b8t h TYR 66 Ca 0.03 -0.01 0.34 0.00 0.05 0.00 0.00 58.73 59.14 1b8t h TYR 66 Cb 0.30 -0.01 -0.19 0.00 1.01 0.00 0.00 36.73 37.85 1b8t h TYR 66 CO 0.02 0.37 -1.29 0.41 -1.05 0.00 0.00 178.16 176.63 1b8t n GLY 67 N -0.16 -3.40 3.63 3.88 0.00 0.13 -4.93 105.19 104.35 1b8t n GLY 67 Ca -0.08 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 1b8t n GLY 67 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1b8t n PRO 68 N -4.31 -2.20 -4.19 1.61 -0.04 -1.26 -5.03 135.00 119.58 1b8t n PRO 68 Ca -0.09 -1.88 -0.13 0.00 -0.04 0.00 0.00 63.50 61.36 1b8t n PRO 68 Cb 0.69 -1.48 -0.10 0.00 -0.04 0.00 0.00 33.50 32.56 1b8t n PRO 68 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1b8t s LYS 69 N -5.66 0.90 0.00 0.54 2.36 -1.26 -5.16 119.74 111.46 1b8t s LYS 69 Ca 0.72 -1.32 0.00 0.00 -2.55 0.00 0.00 55.97 52.82 1b8t s LYS 69 Cb -0.04 -0.40 0.00 0.00 -1.05 0.00 0.00 37.83 36.33 1b8t s LYS 69 CO 0.53 0.03 0.00 0.41 1.55 0.00 0.00 175.35 177.87 1b8t n GLY 70 N 0.07 5.69 3.85 5.54 0.00 -1.26 -5.19 105.19 113.89 1b8t n GLY 70 Ca -0.13 -1.56 -0.03 0.00 0.00 0.00 0.00 46.02 44.31 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 0.90 1.18 -0.05 1.61 1.02 -1.26 -5.19 119.74 117.95 1b8t s LYS 71 Ca 0.00 -0.73 -0.31 0.00 0.02 0.00 0.00 55.97 54.95 1b8t s LYS 71 Cb 0.00 0.35 0.11 0.00 -0.52 0.00 0.00 37.83 37.77 1b8t s LYS 71 CO 0.00 -0.55 1.14 0.20 -0.92 0.00 0.00 175.35 175.22 1b8t s GLY 72 N -3.31 -0.35 -0.03 -3.33 0.00 -1.26 -5.19 107.32 93.86 1b8t s GLY 72 Ca 0.20 0.97 -0.29 0.00 0.00 0.00 0.00 44.72 45.59 1b8t s GLY 72 CO 0.04 0.28 1.30 1.25 0.00 0.00 0.00 173.10 175.97 1b8t s LYS 73 N -2.67 0.34 0.00 2.90 2.20 -1.26 -5.19 119.74 116.05 1b8t s LYS 73 Ca 0.11 -0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.51 1b8t s LYS 73 Cb 0.01 0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 1b8t s LYS 73 CO -0.04 -0.16 0.00 0.41 -0.36 0.00 0.00 175.35 175.20 1b8t n GLY 74 N -0.79 1.22 3.64 5.54 0.00 -1.26 -5.19 105.19 108.35 1b8t n GLY 74 Ca 0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.00 0.10 0.00 1.61 0.00 -1.26 -5.19 119.30 112.56 1b8t s MET 75 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 55.69 55.71 1b8t s MET 75 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 34.83 34.88 1b8t s MET 75 CO 0.00 -0.03 0.00 0.41 0.00 0.00 0.00 175.02 175.40 1b8t n GLY 76 N 0.47 5.28 3.83 2.11 0.00 -1.26 -5.18 105.19 110.45 1b8t n GLY 76 Ca -0.00 -1.69 0.01 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.00 -2.26 0.15 4.61 0.00 -1.26 -5.19 121.76 115.80 1b8t s ALA 77 Ca 0.00 0.24 -0.24 0.00 0.00 0.00 0.00 51.96 51.96 1b8t s ALA 77 Cb 0.00 0.68 0.08 0.00 0.00 0.00 0.00 23.12 23.87 1b8t s ALA 77 CO 0.00 -1.10 1.05 0.20 0.00 0.00 0.00 175.76 175.90 1b8t s GLY 78 N -3.44 -0.06 0.14 0.00 0.00 -1.26 -5.19 107.32 97.51 1b8t s GLY 78 Ca 0.22 -0.08 -0.17 0.00 0.00 0.00 0.00 44.72 44.70 1b8t s GLY 78 CO -0.01 1.53 0.43 -1.08 0.00 0.00 0.00 173.10 173.98 1b8t s THR 79 N -2.55 0.06 0.29 0.90 -1.32 -1.26 -5.18 115.64 106.58 1b8t s THR 79 Ca 0.18 -0.54 -0.04 0.00 -1.21 0.00 0.00 61.69 60.08 1b8t s THR 79 Cb -0.01 -1.19 -0.01 0.00 -1.51 0.00 0.00 72.50 69.78 1b8t s THR 79 CO 0.03 -0.26 0.39 -1.48 -2.21 0.00 0.00 174.62 171.09 1b8t s LEU 80 N -2.81 0.92 -0.14 9.08 2.34 -1.26 -5.18 118.68 121.63 1b8t s LEU 80 Ca 0.03 -1.34 -0.30 0.00 0.06 0.00 0.00 54.13 52.58 1b8t s LEU 80 Cb 0.01 1.26 0.13 0.00 -0.56 0.00 0.00 46.19 47.04 1b8t s LEU 80 CO -0.11 -1.15 1.04 -0.55 -1.06 0.00 0.00 176.35 174.51 1b8t s SER 81 N -3.18 -0.31 -0.28 1.48 0.15 -1.26 -5.18 113.70 105.13 1b8t s SER 81 Ca 0.31 0.23 -0.24 0.00 0.70 0.00 0.00 55.95 56.95 1b8t s SER 81 Cb 0.01 0.27 0.09 0.00 -1.71 0.00 0.00 66.02 64.69 1b8t s SER 81 CO 0.16 -0.36 0.85 0.28 1.20 0.00 0.00 173.24 175.38 1b8t s THR 82 N -1.70 0.00 0.12 6.45 -1.32 -1.26 -5.18 115.64 112.76 1b8t s THR 82 Ca 0.02 0.00 -0.07 0.00 -1.21 0.00 0.00 61.69 60.43 1b8t s THR 82 Cb -0.01 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.97 1b8t s THR 82 CO -0.02 0.00 0.19 1.51 -2.21 0.00 0.00 174.62 174.09 1b8t s ASP 83 N 0.44 0.15 0.33 8.08 1.47 -1.26 -5.18 116.67 120.70 1b8t s ASP 83 Ca 0.00 -0.87 -0.06 0.00 1.18 0.00 0.00 52.55 52.80 1b8t s ASP 83 Cb -0.05 0.36 0.01 0.00 -0.34 0.00 0.00 42.92 42.90 1b8t s ASP 83 CO -0.04 -0.79 0.51 -0.75 0.68 0.00 0.00 175.17 174.78 1b8t s LYS 84 N -3.94 1.86 -0.30 2.11 2.20 -1.26 -5.18 119.74 115.23 1b8t s LYS 84 Ca 0.14 -1.61 -0.35 0.00 -0.36 0.00 0.00 55.97 53.78 1b8t s LYS 84 Cb 0.05 0.47 0.17 0.00 -1.51 0.00 0.00 37.83 37.01 1b8t s LYS 84 CO -0.04 -0.78 1.39 0.20 -0.36 0.00 0.00 175.35 175.76 1b8t s GLY 85 N -3.17 -0.08 0.00 5.54 0.00 -1.26 -5.19 107.32 103.16 1b8t s GLY 85 Ca 0.27 2.28 0.00 0.00 0.00 0.00 0.00 44.72 47.27 1b8t s GLY 85 CO 0.17 0.81 0.00 1.18 0.00 0.00 0.00 173.10 175.26 1b8t n GLU 86 N 0.17 0.00 -3.58 2.90 -0.58 -1.26 -5.19 120.64 113.11 1b8t n GLU 86 Ca 0.04 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.81 1b8t n GLU 86 Cb 0.57 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 31.44 1b8t n GLU 86 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1b8t s SER 87 N 0.00 -0.02 -0.10 1.62 0.15 -1.26 -5.19 113.70 108.90 1b8t s SER 87 Ca 0.00 -0.05 -0.33 0.00 0.70 0.00 0.00 55.95 56.27 1b8t s SER 87 Cb 0.00 0.06 0.13 0.00 -1.71 0.00 0.00 66.02 64.51 1b8t s SER 87 CO 0.00 -0.11 1.31 -0.22 1.20 0.00 0.00 173.24 175.42 1b8t s LEU 88 N -2.98 -0.06 0.23 3.45 2.96 -1.26 -5.19 118.68 115.83 1b8t s LEU 88 Ca 0.15 -0.07 -0.22 0.00 -0.22 0.00 0.00 54.13 53.77 1b8t s LEU 88 Cb 0.07 1.28 0.05 0.00 0.50 0.00 0.00 46.19 48.09 1b8t s LEU 88 CO -0.06 -0.20 0.89 -0.83 -1.32 0.00 0.00 176.35 174.83 1b8t s GLY 89 N -2.69 -0.01 -0.21 7.98 0.00 -1.26 -5.18 107.32 105.94 1b8t s GLY 89 Ca 0.13 -0.24 -0.30 0.00 0.00 0.00 0.00 44.72 44.31 1b8t s GLY 89 CO -0.04 0.40 1.18 -1.50 0.00 0.00 0.00 173.10 173.13 1b8t s ILE 90 N -3.02 0.00 0.29 0.90 2.07 -1.26 -5.19 121.20 114.99 1b8t s ILE 90 Ca 0.14 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.34 1b8t s ILE 90 Cb -0.03 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.55 1b8t s ILE 90 CO 0.06 0.00 0.40 -0.54 -1.91 0.00 0.00 174.94 172.95 1b8t s LYS 91 N -1.34 1.67 -0.03 3.50 1.02 -1.26 -5.18 119.74 118.12 1b8t s LYS 91 Ca 0.05 -1.61 -0.30 0.00 0.02 0.00 0.00 55.97 54.13 1b8t s LYS 91 Cb -0.01 0.41 0.11 0.00 -0.52 0.00 0.00 37.83 37.82 1b8t s LYS 91 CO -0.04 -0.67 0.95 -0.47 -0.92 0.00 0.00 175.35 174.21 1b8t s TYR 92 N -3.54 -0.29 0.22 3.18 5.04 -1.26 -5.19 117.35 115.50 1b8t s TYR 92 Ca 0.31 0.16 -0.00 0.00 -2.44 0.00 0.00 57.07 55.10 1b8t s TYR 92 Cb 0.01 0.54 -0.04 0.00 0.35 0.00 0.00 41.96 42.82 1b8t s TYR 92 CO 0.16 -0.50 0.15 -1.21 -1.34 0.00 0.00 175.55 172.81 1b8t s GLU 93 N -3.00 1.27 0.27 4.97 2.02 -1.26 -5.18 118.70 117.79 1b8t s GLU 93 Ca 0.06 -1.68 -0.13 0.00 0.02 0.00 0.00 54.97 53.24 1b8t s GLU 93 Cb -0.01 0.28 0.00 0.00 0.10 0.00 0.00 34.13 34.50 1b8t s GLU 93 CO -0.08 -0.42 0.54 -1.83 0.02 0.00 0.00 175.26 173.49 1b8t s GLU 94 N -4.07 1.67 0.00 1.61 -1.05 -1.26 -5.19 118.70 110.41 1b8t s GLU 94 Ca 0.39 -1.27 0.00 0.00 -0.15 0.00 0.00 54.97 53.94 1b8t s GLU 94 Cb 0.06 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.26 1b8t s GLU 94 CO 0.14 -0.71 0.00 0.41 0.95 0.00 0.00 175.26 176.05 1b8t n GLY 95 N -0.42 3.83 3.68 -3.83 0.00 -1.26 -5.19 105.19 102.00 1b8t n GLY 95 Ca -0.02 -1.26 0.01 0.00 0.00 0.00 0.00 46.02 44.74 1b8t n GLY 95 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1b8t s GLN 96 N -0.32 0.52 -0.21 1.61 -2.07 -1.26 -5.19 119.66 112.75 1b8t s GLN 96 Ca 0.00 -0.30 -0.32 0.00 -1.82 0.00 0.00 55.36 52.93 1b8t s GLN 96 Cb 0.00 0.17 0.15 0.00 -1.09 0.00 0.00 33.01 32.24 1b8t s GLN 96 CO 0.00 -0.24 1.19 0.45 -1.32 0.00 0.00 175.29 175.37 1b8t s SER 97 N -3.07 -0.18 0.27 12.60 0.15 -1.26 -5.19 113.70 117.03 1b8t s SER 97 Ca 0.16 0.12 -0.00 0.00 0.70 0.00 0.00 55.95 56.93 1b8t s SER 97 Cb 0.03 0.16 -0.02 0.00 -1.71 0.00 0.00 66.02 64.48 1b8t s SER 97 CO -0.03 -0.21 0.29 -1.00 1.20 0.00 0.00 173.24 173.49 1b8t s HIS 98 N -1.62 1.22 0.02 3.44 3.76 -1.26 -5.18 115.29 115.67 1b8t s HIS 98 Ca 0.06 -1.37 0.00 0.00 -0.15 0.00 0.00 55.06 53.61 1b8t s HIS 98 Cb -0.01 -0.41 -0.02 0.00 1.11 0.00 0.00 32.58 33.25 1b8t s HIS 98 CO -0.04 -0.86 -0.03 1.03 -0.85 0.00 0.00 174.74 173.99 1b8t s ARG 99 N -3.70 0.32 1.09 1.40 0.52 -1.26 -5.16 118.95 112.15 1b8t s ARG 99 Ca 0.36 -0.58 -0.18 0.00 -0.52 0.00 0.00 55.73 54.80 1b8t s ARG 99 Cb 0.03 0.05 0.26 0.00 0.52 0.00 0.00 34.95 35.81 1b8t s ARG 99 CO 0.18 -0.03 1.20 -0.35 0.02 0.00 0.00 175.30 176.32 1b8t n PRO 100 N 1.69 -2.18 -4.60 3.54 -0.04 -1.26 -5.10 135.00 127.04 1b8t n PRO 100 Ca -0.23 -1.88 -0.28 0.00 -0.04 0.00 0.00 63.50 61.06 1b8t n PRO 100 Cb 0.55 -1.48 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 1b8t n PRO 100 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1b8t s THR 101 N -3.42 0.76 -0.04 0.52 -4.23 -1.26 -5.16 115.64 102.81 1b8t s THR 101 Ca 0.72 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.25 1b8t s THR 101 Cb -0.04 -2.26 0.01 0.00 1.34 0.00 0.00 72.50 71.55 1b8t s THR 101 CO 0.53 0.00 -0.08 0.54 -0.54 0.00 0.00 174.62 175.07 1b8t s ASN 102 N -3.71 1.25 1.12 3.99 2.20 -1.26 -5.15 114.94 113.38 1b8t s ASN 102 Ca 0.17 -0.19 -0.19 0.00 -0.94 0.00 0.00 52.86 51.71 1b8t s ASN 102 Cb 0.02 -0.47 0.26 0.00 -2.00 0.00 0.00 41.25 39.06 1b8t s ASN 102 CO 0.11 0.02 1.22 -0.81 -2.94 0.00 0.00 177.10 174.69 1b8t n PRO 103 N 3.63 -2.21 -4.19 3.55 -0.04 -1.26 -5.10 135.00 129.37 1b8t n PRO 103 Ca -0.22 -1.91 -0.12 0.00 -0.04 0.00 0.00 63.50 61.22 1b8t n PRO 103 Cb 0.53 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 1b8t n PRO 103 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1b8t s ASN 104 N -5.17 0.37 0.29 3.54 3.84 -1.26 -5.18 114.94 111.37 1b8t s ASN 104 Ca 0.73 -1.30 0.01 0.00 0.21 0.00 0.00 52.86 52.52 1b8t s ASN 104 Cb -0.04 0.31 -0.02 0.00 -0.55 0.00 0.00 41.25 40.94 1b8t s ASN 104 CO 0.54 -0.77 0.30 0.00 -2.79 0.00 0.00 177.10 174.38 1b8t s ALA 105 N -4.05 1.27 0.26 1.71 0.00 -1.26 -5.18 121.76 114.50 1b8t s ALA 105 Ca 0.32 -1.76 -0.14 0.00 0.00 0.00 0.00 51.96 50.38 1b8t s ALA 105 Cb 0.07 1.35 0.00 0.00 0.00 0.00 0.00 23.12 24.54 1b8t s ALA 105 CO 0.07 -0.69 0.52 -1.12 0.00 0.00 0.00 175.76 174.54 1b8t s SER 106 N -3.26 -0.08 0.06 0.00 0.01 -1.26 -5.18 113.70 103.99 1b8t s SER 106 Ca 0.37 -0.91 -0.10 0.00 1.31 0.00 0.00 55.95 56.62 1b8t s SER 106 Cb 0.03 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.87 1b8t s SER 106 CO 0.20 -1.18 0.20 -0.60 0.41 0.00 0.00 173.24 172.27 1b8t s ARG 107 N -3.94 0.78 0.34 12.44 3.00 -1.26 -5.18 118.95 125.12 1b8t s ARG 107 Ca 0.21 -0.77 0.04 0.00 -1.00 0.00 0.00 55.73 54.21 1b8t s ARG 107 Cb -0.01 0.32 -0.06 0.00 0.00 0.00 0.00 34.95 35.19 1b8t s ARG 107 CO 0.09 -0.24 0.06 -1.64 0.00 0.00 0.00 175.30 173.57 1b8t s MET 108 N -3.18 1.69 0.30 5.12 -1.94 -1.26 -5.17 119.30 114.86 1b8t s MET 108 Ca -0.00 -1.95 0.01 0.00 -1.71 0.00 0.00 55.69 52.03 1b8t s MET 108 Cb 0.02 -0.91 -0.02 0.00 2.01 0.00 0.00 34.83 35.93 1b8t s MET 108 CO -0.07 -0.20 0.32 0.00 -0.01 0.00 0.00 175.02 175.06 1b8t s ALA 109 N -3.25 1.18 0.23 3.03 0.00 -1.26 -5.18 121.76 116.51 1b8t s ALA 109 Ca 0.35 -1.71 0.01 0.00 0.00 0.00 0.00 51.96 50.61 1b8t s ALA 109 Cb 0.08 1.32 -0.04 0.00 0.00 0.00 0.00 23.12 24.49 1b8t s ALA 109 CO 0.15 -0.70 0.14 1.14 0.00 0.00 0.00 175.76 176.49 1b8t s GLN 110 N -3.55 1.33 0.30 0.00 -2.07 -1.26 -5.18 119.66 109.24 1b8t s GLN 110 Ca 0.36 -1.72 0.04 0.00 -1.82 0.00 0.00 55.36 52.21 1b8t s GLN 110 Cb 0.02 0.11 -0.03 0.00 -1.09 0.00 0.00 33.01 32.02 1b8t s GLN 110 CO 0.20 -0.39 0.26 0.15 -1.32 0.00 0.00 175.29 174.19 1b8t s LYS 111 N -4.04 1.62 0.25 9.60 1.02 -1.26 -5.18 119.74 121.75 1b8t s LYS 111 Ca 0.38 -1.88 -0.19 0.00 0.02 0.00 0.00 55.97 54.30 1b8t s LYS 111 Cb 0.07 0.32 0.02 0.00 -0.52 0.00 0.00 37.83 37.72 1b8t s LYS 111 CO 0.14 -0.59 0.64 0.54 -0.92 0.00 0.00 175.35 175.16 1b8t s VAL 112 N -3.61 0.00 0.03 3.17 0.11 -1.26 -5.19 120.40 113.65 1b8t s VAL 112 Ca 0.39 -0.92 0.00 0.00 -2.93 0.00 0.00 61.98 58.53 1b8t s VAL 112 Cb 0.03 -1.86 -0.00 0.00 -1.53 0.00 0.00 36.38 33.03 1b8t s VAL 112 CO 0.23 -0.02 0.03 0.61 -3.33 0.00 0.00 175.10 172.62 1b8t n GLY 113 N -0.42 3.39 3.46 6.54 0.00 -1.26 -5.18 105.19 111.73 1b8t n GLY 113 Ca -0.06 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 1b8t n GLY 113 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b8t s GLY 114 N -1.18 1.67 -0.14 -0.02 0.00 -1.26 -5.13 107.32 101.27 1b8t s GLY 114 Ca 0.03 -1.45 -0.34 0.00 0.00 0.00 0.00 44.72 42.96 1b8t s GLY 114 CO 0.02 -1.44 1.39 -1.35 0.00 0.00 0.00 173.10 171.72 1b8t s SER 115 N -2.31 -0.02 0.00 1.64 1.04 -1.26 -4.85 113.70 107.94 1b8t s SER 115 Ca 0.18 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.59 1b8t s SER 115 Cb -0.10 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.06 1b8t s SER 115 CO 0.10 -0.07 0.00 -0.67 0.98 0.00 0.00 173.24 173.58 1b8t n ASP 116 N -0.34 0.00 -4.09 7.02 -0.08 -0.59 -5.05 116.55 113.42 1b8t n ASP 116 Ca -0.05 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.09 1b8t n ASP 116 Cb 0.61 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.98 1b8t n ASP 116 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1b8t s GLY 117 N 0.00 1.63 -0.43 0.27 0.00 -1.26 -0.20 107.32 107.33 1b8t s GLY 117 Ca 0.00 -1.77 -0.14 0.00 0.00 0.00 0.00 44.72 42.81 1b8t s GLY 117 CO 0.00 -1.45 0.32 0.00 0.00 0.00 0.00 173.10 171.98 1b8t n PRO 119 N 5.14 0.62 -0.00 0.00 -0.04 -1.26 0.37 135.00 139.84 1b8t n PRO 119 Ca -0.12 0.02 -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 -2.13 -0.04 0.00 0.00 175.50 173.33 1b8t n ARG 120 N -1.09 0.01 0.09 0.54 0.63 -1.26 -4.60 116.66 110.98 1b8t n ARG 120 Ca 0.16 0.24 -0.14 0.00 -0.92 0.00 0.00 57.85 57.19 1b8t n ARG 120 Cb 0.11 -0.75 -0.09 0.00 0.45 0.00 0.00 32.46 32.18 1b8t n ARG 120 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1b8t n GLY 122 N 1.25 1.15 3.52 0.00 0.00 0.16 -5.08 105.19 106.19 1b8t n GLY 122 Ca -0.07 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.29 3.16 0.81 1.61 -1.52 -1.13 -4.80 119.66 117.50 1b8t s GLN 123 Ca 0.00 -0.56 -0.17 0.00 -1.95 0.00 0.00 55.36 52.68 1b8t s GLN 123 Cb 0.00 -2.70 -0.13 0.00 -0.22 0.00 0.00 33.01 29.96 1b8t s GLN 123 CO 0.00 0.45 -0.38 0.00 -0.25 0.00 0.00 175.29 175.11 1b8t n ALA 124 N 2.87 -4.16 -3.87 6.09 0.00 -1.26 0.14 120.51 120.31 1b8t n ALA 124 Ca -0.18 -0.44 -0.26 0.00 0.00 0.00 0.00 53.44 52.56 1b8t n ALA 124 Cb 0.53 -1.34 -0.17 0.00 0.00 0.00 0.00 19.45 18.47 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 -2.02 0.89 0.00 0.00 1.01 0.72 -4.39 120.40 116.62 1b8t s VAL 125 Ca 0.49 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1b8t s VAL 125 Cb -0.30 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1b8t s VAL 125 CO 0.74 0.29 0.00 0.00 0.00 0.00 0.00 175.10 176.13 1b8t n TYR 126 N 4.98 0.00 -1.53 5.22 4.11 -1.26 -1.54 117.16 127.13 1b8t n TYR 126 Ca -0.11 0.00 -0.46 0.00 -0.00 0.00 0.00 57.90 57.33 1b8t n TYR 126 Cb 0.50 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.79 1b8t n TYR 126 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1b8t n ALA 127 N -3.00 1.41 0.00 -3.48 0.00 -1.26 -3.47 120.51 110.71 1b8t n ALA 127 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1b8t n ALA 127 Cb 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 19.45 16.67 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 11.28 0.00 -2.74 0.00 0.00 -1.26 -4.95 120.51 122.84 1b8t n ALA 128 Ca 0.36 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.75 1b8t n ALA 128 Cb 0.36 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.85 1b8t n ALA 128 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1b8t n GLU 129 N 0.00 1.51 -2.83 0.00 -0.58 -1.23 -5.02 120.64 112.49 1b8t n GLU 129 Ca 0.00 -3.41 -0.41 0.00 -0.42 0.00 0.00 57.16 52.91 1b8t n GLU 129 Cb 0.00 -1.46 -0.04 0.00 -0.57 0.00 0.00 31.44 29.38 1b8t n GLU 129 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1b8t s LYS 130 N -3.48 4.46 0.08 3.49 2.36 -1.23 0.15 119.74 125.59 1b8t s LYS 130 Ca 0.28 1.19 0.07 0.00 -2.55 0.00 0.00 55.97 54.96 1b8t s LYS 130 Cb 0.39 -3.49 -0.03 0.00 -1.05 0.00 0.00 37.83 33.65 1b8t s LYS 130 CO -0.00 -0.10 -0.19 0.54 1.55 0.00 0.00 175.35 177.15 1b8t s VAL 131 N 1.26 1.50 -0.17 4.02 0.11 0.15 -4.70 120.40 122.57 1b8t s VAL 131 Ca 0.45 -1.40 0.00 0.00 -2.93 0.00 0.00 61.98 58.10 1b8t s VAL 131 Cb -0.19 -1.37 0.04 0.00 -1.53 0.00 0.00 36.38 33.33 1b8t s VAL 131 CO 0.21 -0.07 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.19 1b8t s ILE 132 N -1.13 1.43 0.03 7.04 -1.09 -1.26 -0.99 121.20 125.23 1b8t s ILE 132 Ca 0.04 -0.77 -0.19 0.00 -2.23 0.00 0.00 60.65 57.50 1b8t s ILE 132 Cb -0.10 -1.49 0.04 0.00 -1.58 0.00 0.00 42.46 39.33 1b8t s ILE 132 CO 0.03 0.23 0.43 -0.83 -1.23 0.00 0.00 174.94 173.57 1b8t s GLY 133 N 1.51 -0.29 -1.56 6.18 0.00 0.12 -4.91 107.32 108.36 1b8t s GLY 133 Ca 0.01 0.43 -0.12 0.00 0.00 0.00 0.00 44.72 45.04 1b8t s GLY 133 CO -0.09 0.16 0.77 0.00 0.00 0.00 0.00 173.10 173.94 1b8t n ALA 134 N 0.66 -1.48 -3.95 3.20 0.00 -1.26 0.12 120.51 117.80 1b8t n ALA 134 Ca -0.19 -0.01 -0.30 0.00 0.00 0.00 0.00 53.44 52.94 1b8t n ALA 134 Cb 0.59 -3.27 0.02 0.00 0.00 0.00 0.00 19.45 16.78 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 -1.63 -0.47 3.60 0.00 0.00 -1.26 -4.67 105.19 100.77 1b8t n GLY 135 Ca -0.04 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 -6.62 1.55 0.11 1.61 1.02 0.12 -5.12 119.74 112.41 1b8t s LYS 136 Ca 0.61 -1.22 0.10 0.00 0.02 0.00 0.00 55.97 55.48 1b8t s LYS 136 Cb -0.31 0.48 -0.04 0.00 -0.52 0.00 0.00 37.83 37.44 1b8t s LYS 136 CO 0.85 -0.65 -0.26 -1.54 -0.92 0.00 0.00 175.35 172.83 1b8t s SER 137 N -3.01 3.17 0.24 2.83 1.04 -1.26 0.16 113.70 116.88 1b8t s SER 137 Ca 0.21 -0.72 -0.21 0.00 0.48 0.00 0.00 55.95 55.72 1b8t s SER 137 Cb -0.01 -0.22 0.06 0.00 0.10 0.00 0.00 66.02 65.96 1b8t s SER 137 CO 0.08 0.17 0.93 0.26 0.98 0.00 0.00 173.24 175.67 1b8t s TRP 138 N -1.04 0.03 0.01 5.02 0.52 -0.16 -4.00 118.94 119.32 1b8t s TRP 138 Ca 0.13 -0.50 -0.30 0.00 0.02 0.00 0.00 56.10 55.44 1b8t s TRP 138 Cb -0.10 0.73 -0.04 0.00 -1.15 0.00 0.00 33.47 32.91 1b8t s TRP 138 CO 0.05 -1.11 1.12 -1.01 0.02 0.00 0.00 176.95 176.02 1b8t s HIS 139 N -2.52 3.47 -0.45 -1.98 3.76 -1.26 0.29 115.29 116.61 1b8t s HIS 139 Ca 0.18 1.43 0.15 0.00 -0.15 0.00 0.00 55.06 56.67 1b8t s HIS 139 Cb -0.03 -3.31 0.81 0.00 1.11 0.00 0.00 32.58 31.16 1b8t s HIS 139 CO 0.07 -0.80 1.46 1.17 -0.85 0.00 0.00 174.74 175.78 1b8t n LYS 140 N 4.23 0.10 -0.09 1.40 4.81 0.41 0.48 118.16 129.50 1b8t n LYS 140 Ca 0.08 0.60 -0.20 0.00 -0.87 0.00 0.00 58.31 57.92 1b8t n LYS 140 Cb 0.48 -1.82 -0.12 0.00 0.02 0.00 0.00 35.03 33.59 1b8t n LYS 140 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1b8t h SER 141 N 0.00 0.02 0.42 3.14 0.02 -1.87 -3.41 113.55 111.87 1b8t h SER 141 Ca 0.00 -0.63 -0.02 0.00 -0.84 0.00 0.00 61.79 60.30 1b8t h SER 141 Cb 0.00 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1b8t h SER 141 CO 0.00 1.40 -0.20 0.00 -1.14 0.00 0.00 176.83 176.89 1b8t n PHE 143 N -4.84 0.26 -3.85 0.00 7.35 0.18 -4.83 117.46 111.72 1b8t n PHE 143 Ca -0.07 0.18 -0.12 0.00 -0.76 0.00 0.00 57.45 56.68 1b8t n PHE 143 Cb 0.22 -1.13 -0.12 0.00 0.35 0.00 0.00 39.48 38.81 1b8t n PHE 143 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 1b8t s ARG 144 N 4.44 0.29 -0.18 -4.13 1.04 -1.26 -1.49 118.95 117.66 1b8t s ARG 144 Ca 0.68 -0.08 -0.41 0.00 -1.04 0.00 0.00 55.73 54.88 1b8t s ARG 144 Cb -0.62 0.13 -0.19 0.00 -2.04 0.00 0.00 34.95 32.23 1b8t s ARG 144 CO 0.25 -0.06 1.39 0.00 -0.04 0.00 0.00 175.30 176.84 1b8t n ALA 146 N 3.08 4.29 0.00 0.00 0.00 -0.55 -0.12 120.51 127.21 1b8t n ALA 146 Ca 0.24 -1.27 0.00 0.00 0.00 0.00 0.00 53.44 52.41 1b8t n ALA 146 Cb 0.07 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 0.15 0.00 -0.02 0.00 3.00 -1.26 -4.88 118.16 115.15 1b8t n LYS 147 Ca 0.25 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.58 1b8t n LYS 147 Cb 0.79 -0.31 -0.08 0.00 0.00 0.00 0.00 35.03 35.44 1b8t n LYS 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1b8t n GLY 149 N 2.08 0.57 3.66 0.00 0.00 0.83 -5.01 105.19 107.32 1b8t n GLY 149 Ca -0.06 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 1b8t n GLY 149 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b8t s LYS 150 N -1.90 4.28 0.27 1.61 2.47 -1.24 -4.65 119.74 120.58 1b8t s LYS 150 Ca 0.00 1.20 -0.30 0.00 -1.56 0.00 0.00 55.97 55.30 1b8t s LYS 150 Cb 0.00 -3.61 -0.11 0.00 -1.46 0.00 0.00 37.83 32.65 1b8t s LYS 150 CO 0.00 -0.48 1.59 0.45 0.16 0.00 0.00 175.35 177.06 1b8t s SER 151 N 1.20 6.42 0.28 1.43 0.15 -1.26 -0.15 113.70 121.77 1b8t s SER 151 Ca 0.41 2.89 0.03 0.00 0.70 0.00 0.00 55.95 59.99 1b8t s SER 151 Cb -0.16 -2.63 0.03 0.00 -1.71 0.00 0.00 66.02 61.55 1b8t s SER 151 CO 0.10 -0.89 0.24 0.18 1.20 0.00 0.00 173.24 174.07 1b8t n LEU 152 N 2.44 0.00 0.15 3.45 4.77 -0.55 -4.87 117.00 122.39 1b8t n LEU 152 Ca 0.09 -1.40 0.00 0.00 -0.03 0.00 0.00 56.01 54.67 1b8t n LEU 152 Cb 0.38 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1b8t n LEU 152 CO 0.63 -0.45 0.00 1.21 -1.33 0.00 0.00 177.39 177.45 1b8t n GLU 153 N -1.22 0.00 0.23 3.23 2.13 -1.26 -4.80 120.64 118.95 1b8t n GLU 153 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1b8t n GLU 153 Cb 0.31 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.02 1b8t n GLU 153 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1b8t n SER 154 N -3.44 -4.12 -4.94 4.31 2.88 -1.26 -4.67 113.62 102.37 1b8t n SER 154 Ca 0.00 0.88 -0.25 0.00 -1.33 0.00 0.00 58.87 58.18 1b8t n SER 154 Cb 0.00 3.84 0.05 0.00 -0.75 0.00 0.00 64.21 67.35 1b8t n SER 154 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1b8t s THR 155 N -2.00 2.81 -1.79 2.46 -1.32 -1.26 -4.11 115.64 110.44 1b8t s THR 155 Ca 0.00 -0.30 0.00 0.00 -1.21 0.00 0.00 61.69 60.18 1b8t s THR 155 Cb 0.00 -3.14 0.00 0.00 -1.51 0.00 0.00 72.50 67.85 1b8t s THR 155 CO 0.00 -0.14 0.00 0.41 -2.21 0.00 0.00 174.62 172.68 1b8t n THR 156 N -2.66 -0.15 -4.19 5.08 -1.04 -1.26 -4.97 114.28 105.09 1b8t n THR 156 Ca 0.07 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.78 1b8t n THR 156 Cb 0.59 -1.89 -0.09 0.00 -1.82 0.00 0.00 70.33 67.12 1b8t n THR 156 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1b8t s LEU 157 N -4.15 3.19 0.13 -4.42 2.96 -1.26 -0.68 118.68 114.45 1b8t s LEU 157 Ca 0.00 -0.32 0.09 0.00 -0.22 0.00 0.00 54.13 53.68 1b8t s LEU 157 Cb 0.00 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 1b8t s LEU 157 CO 0.00 0.17 -0.21 0.00 -1.32 0.00 0.00 176.35 174.99 1b8t s ALA 158 N -1.27 1.99 -0.26 5.97 0.00 0.46 -4.74 121.76 123.91 1b8t s ALA 158 Ca 0.23 -1.37 -0.00 0.00 0.00 0.00 0.00 51.96 50.82 1b8t s ALA 158 Cb -0.11 -0.25 0.08 0.00 0.00 0.00 0.00 23.12 22.84 1b8t s ALA 158 CO 0.15 0.35 0.03 0.16 0.00 0.00 0.00 175.76 176.46 1b8t s ASP 159 N -2.19 3.80 -0.76 0.00 -4.77 -1.26 -1.18 116.67 110.32 1b8t s ASP 159 Ca 0.11 -1.37 -0.15 0.00 -3.30 0.00 0.00 52.55 47.83 1b8t s ASP 159 Cb -0.09 -0.98 0.18 0.00 -1.09 0.00 0.00 42.92 40.95 1b8t s ASP 159 CO 0.06 -0.33 0.75 -0.75 0.70 0.00 0.00 175.17 175.59 1b8t s LYS 160 N 1.53 3.43 -0.94 2.11 2.36 0.78 -4.65 119.74 124.36 1b8t s LYS 160 Ca 0.03 -2.13 -0.16 0.00 -2.55 0.00 0.00 55.97 51.16 1b8t s LYS 160 Cb -0.18 -4.44 0.02 0.00 -1.05 0.00 0.00 37.83 32.18 1b8t s LYS 160 CO -0.14 -1.38 0.59 -3.47 1.55 0.00 0.00 175.35 172.51 1b8t n ASP 161 N 4.73 -4.13 0.00 1.43 2.03 -1.26 -0.13 116.55 119.23 1b8t n ASP 161 Ca 0.07 -1.07 0.00 0.00 0.52 0.00 0.00 54.79 54.32 1b8t n ASP 161 Cb 0.45 -1.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.38 1b8t n ASP 161 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b8t n GLY 162 N -1.79 2.61 3.51 0.27 0.00 -1.26 -5.02 105.19 103.52 1b8t n GLY 162 Ca -0.21 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.02 -4.23 1.61 4.71 0.82 -4.87 120.64 118.67 1b8t n GLU 163 Ca 0.00 0.05 -0.19 0.00 -0.01 0.00 0.00 57.16 57.01 1b8t n GLU 163 Cb 0.00 -2.02 -0.16 0.00 -1.01 0.00 0.00 31.44 28.25 1b8t n GLU 163 CO 0.00 0.00 0.00 0.96 0.09 0.00 0.00 177.13 178.18 1b8t s ILE 164 N -2.21 0.57 0.16 -3.67 -4.36 -1.26 -0.15 121.20 110.29 1b8t s ILE 164 Ca 0.64 -0.21 0.01 0.00 -0.26 0.00 0.00 60.65 60.83 1b8t s ILE 164 Cb -0.27 -0.55 -0.00 0.00 1.25 0.00 0.00 42.46 42.89 1b8t s ILE 164 CO 0.60 0.20 0.19 -1.22 0.24 0.00 0.00 174.94 174.95 1b8t n TYR 165 N 3.56 -0.68 -3.75 1.37 4.01 -0.32 -1.49 117.16 119.85 1b8t n TYR 165 Ca -0.21 -1.21 -0.30 0.00 -0.16 0.00 0.00 57.90 56.02 1b8t n TYR 165 Cb 0.53 0.21 -0.04 0.00 -0.31 0.00 0.00 39.34 39.73 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 2.66 0.29 -0.17 0.00 2.10 -1.19 1.54 116.57 121.80 1b8t h LYS 167 Ca -0.46 -0.02 0.05 0.00 -2.00 0.00 0.00 60.65 58.22 1b8t h LYS 167 Cb 1.17 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.43 1b8t h LYS 167 CO 0.72 0.19 0.13 0.78 -2.00 0.00 0.00 179.45 179.27 1b8t h GLY 168 N 0.30 0.00 0.29 0.07 0.00 -1.94 0.42 103.07 102.22 1b8t h GLY 168 Ca 0.56 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.79 1b8t h GLY 168 CO -0.59 0.00 -0.47 0.00 0.00 0.00 0.00 176.54 175.48 1b8t h TYR 170 N -0.72 0.41 0.01 0.00 3.20 0.19 0.42 116.97 120.48 1b8t h TYR 170 Ca -0.09 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.79 1b8t h TYR 170 Cb 1.31 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.44 1b8t h TYR 170 CO 0.23 0.24 -0.00 0.00 -1.64 0.00 0.00 178.16 176.99 1b8t h ALA 171 N 1.77 -0.01 -0.22 1.82 0.00 -0.27 -3.20 119.26 119.14 1b8t h ALA 171 Ca 0.17 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1b8t h ALA 171 Cb 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1b8t h ALA 171 CO -0.04 -0.01 -0.48 0.87 0.00 0.00 0.00 179.25 179.59 1b8t h LYS 172 N -0.73 -0.42 -1.07 0.00 1.57 -1.06 0.50 116.57 115.35 1b8t h LYS 172 Ca -0.00 0.03 0.42 0.00 -1.87 0.00 0.00 60.65 59.23 1b8t h LYS 172 Cb 0.01 0.10 -0.16 0.00 0.08 0.00 0.00 32.23 32.25 1b8t h LYS 172 CO 0.00 -0.28 0.62 0.09 -0.57 0.00 0.00 179.45 179.31 1b8t n ASN 173 N -5.03 0.29 -3.03 0.86 4.13 0.15 -0.16 115.26 112.47 1b8t n ASN 173 Ca -0.04 1.51 -0.26 0.00 1.68 0.00 0.00 54.58 57.47 1b8t n ASN 173 Cb 0.31 -0.74 -0.04 0.00 -1.54 0.00 0.00 39.78 37.77 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 -5.00 3.39 -0.60 3.10 3.72 0.15 -5.02 117.46 117.20 1b8t n PHE 174 Ca 0.37 -3.98 0.00 0.00 -0.05 0.00 0.00 57.45 53.79 1b8t n PHE 174 Cb 1.32 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 39.37 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 -0.02 3.74 3.77 1.37 0.00 0.78 -4.80 105.19 110.04 1b8t n GLY 175 Ca 0.30 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 3.38 -0.21 0.14 1.61 0.04 -1.26 -4.88 135.00 133.81 1b8t s PRO 176 Ca 0.00 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 60.81 1b8t s PRO 176 Cb 0.00 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1b8t s PRO 176 CO 0.00 -3.01 0.00 1.17 0.04 0.00 0.00 177.00 175.20 1b8t n LYS 177 N -4.23 -3.29 -2.54 4.56 0.00 -1.26 -4.89 118.16 106.51 1b8t n LYS 177 Ca 0.14 2.51 -0.23 0.00 0.00 0.00 0.00 58.31 60.73 1b8t n LYS 177 Cb 0.59 -2.51 0.09 0.00 0.00 0.00 0.00 35.03 33.20 1b8t n LYS 177 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1b8t s GLY 178 N -0.46 1.77 0.22 3.14 0.00 -1.26 -5.00 107.32 105.73 1b8t s GLY 178 Ca 0.00 -1.53 -0.10 0.00 0.00 0.00 0.00 44.72 43.09 1b8t s GLY 178 CO 0.00 -1.05 0.36 -0.12 0.00 0.00 0.00 173.10 172.29 1b8t s PHE 179 N -3.07 0.52 -0.04 1.90 5.36 -1.26 -5.18 117.98 116.20 1b8t s PHE 179 Ca 0.63 -0.85 -0.29 0.00 -0.96 0.00 0.00 56.93 55.46 1b8t s PHE 179 Cb -0.07 -0.02 0.11 0.00 -0.34 0.00 0.00 43.02 42.70 1b8t s PHE 179 CO 0.43 -0.85 0.91 0.20 -1.46 0.00 0.00 175.22 174.44 1b8t s GLY 180 N -3.03 -0.43 0.38 13.12 0.00 -1.26 -5.18 107.32 110.92 1b8t s GLY 180 Ca 0.24 1.26 0.08 0.00 0.00 0.00 0.00 44.72 46.30 1b8t s GLY 180 CO 0.07 0.52 0.23 -0.11 0.00 0.00 0.00 173.10 173.81 1b8t s PHE 181 N -2.59 2.70 0.00 1.90 -0.71 -1.26 -5.08 117.98 112.95 1b8t s PHE 181 Ca 0.03 -0.46 0.00 0.00 -1.04 0.00 0.00 56.93 55.46 1b8t s PHE 181 Cb -0.01 -1.88 0.00 0.00 -1.21 0.00 0.00 43.02 39.92 1b8t s PHE 181 CO -0.06 0.16 0.00 0.41 -1.34 0.00 0.00 175.22 174.39 1b8t n GLY 182 N -1.30 0.39 3.58 1.99 0.00 -1.26 -5.19 105.19 103.40 1b8t n GLY 182 Ca -0.01 0.24 -0.05 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 0.57 0.00 1.61 0.74 -1.26 -5.19 119.66 116.13 1b8t s GLN 183 Ca 0.00 -0.24 0.00 0.00 0.05 0.00 0.00 55.36 55.17 1b8t s GLN 183 Cb 0.00 0.24 0.00 0.00 1.10 0.00 0.00 33.01 34.35 1b8t s GLN 183 CO 0.00 -0.25 0.00 0.41 -0.55 0.00 0.00 175.29 174.90 1b8t n GLY 184 N -0.23 1.85 2.33 2.59 0.00 -1.26 -5.10 105.19 105.37 1b8t n GLY 184 Ca -0.04 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 1b8t n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b8t n ALA 185 N -0.38 2.66 0.00 4.61 0.00 -1.26 -4.94 120.51 121.21 1b8t n ALA 185 Ca 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 53.44 50.26 1b8t n ALA 185 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1b8t n ALA 185 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b8t n GLY 186 N 2.35 0.77 0.06 0.00 0.00 -1.26 -5.08 105.19 102.02 1b8t n GLY 186 Ca 0.27 -0.69 -0.02 0.00 0.00 0.00 0.00 46.02 45.57 1b8t n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b8t h ALA 187 N 0.00 0.00 -2.31 4.61 0.00 -2.00 -3.47 119.26 116.09 1b8t h ALA 187 Ca 0.00 -0.28 -0.54 0.00 0.00 0.00 0.00 54.91 54.09 1b8t h ALA 187 Cb 0.00 0.26 0.20 0.00 0.00 0.00 0.00 17.79 18.26 1b8t h ALA 187 CO 0.00 0.26 -0.39 1.28 0.00 0.00 0.00 179.25 180.40 1b8t n LEU 188 N -4.40 0.74 -4.19 0.00 4.32 -1.26 -5.01 117.00 107.20 1b8t n LEU 188 Ca -0.04 0.44 -0.22 0.00 -0.02 0.00 0.00 56.01 56.18 1b8t n LEU 188 Cb 0.14 -1.25 -0.13 0.00 -1.62 0.00 0.00 43.42 40.55 1b8t n LEU 188 CO 0.06 -3.21 -0.49 0.27 -1.22 0.00 0.00 177.39 172.80 1b8t s ILE 189 N -2.22 1.33 1.03 -0.08 -0.00 -1.26 -5.13 121.20 114.88 1b8t s ILE 189 Ca 0.62 -1.10 -0.21 0.00 -0.00 0.00 0.00 60.65 59.96 1b8t s ILE 189 Cb -0.26 -1.19 -0.05 0.00 -0.00 0.00 0.00 42.46 40.96 1b8t s ILE 189 CO 0.62 0.06 -0.60 0.00 -0.00 0.00 0.00 174.94 175.03 1b8t n HIS 190 N 1.82 -2.06 -3.76 1.37 1.44 -1.26 -4.92 115.22 107.86 1b8t n HIS 190 Ca -0.18 0.30 -0.34 0.00 -2.01 0.00 0.00 57.72 55.49 1b8t n HIS 190 Cb 0.54 -1.51 -0.10 0.00 0.12 0.00 0.00 29.99 29.04 1b8t n HIS 190 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1b8t s SER 191 N -1.44 5.19 0.00 4.39 1.04 -1.26 -5.30 113.70 116.32 1b8t s SER 191 Ca 0.47 -3.18 0.00 0.00 0.48 0.00 0.00 55.95 53.72 1b8t s SER 191 Cb -0.07 -1.81 0.00 0.00 0.10 0.00 0.00 66.02 64.24 1b8t s SER 191 CO 0.69 -0.28 0.00 0.00 0.98 0.00 0.00 173.24 174.64