#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8t n PRO 2 N 0.00 -2.11 -3.90 0.03 -0.04 -1.26 -5.03 135.00 122.68 1b8t n PRO 2 Ca 0.00 -1.80 -0.32 0.00 -0.04 0.00 0.00 63.50 61.34 1b8t n PRO 2 Cb 0.00 -1.42 -0.13 0.00 -0.04 0.00 0.00 33.50 31.91 1b8t n PRO 2 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1b8t s ASN 3 N -4.97 4.64 0.59 3.54 0.01 -1.26 -5.03 114.94 112.47 1b8t s ASN 3 Ca 0.69 -2.78 0.00 0.00 -0.71 0.00 0.00 52.86 50.07 1b8t s ASN 3 Cb -0.04 -1.70 0.00 0.00 0.41 0.00 0.00 41.25 39.92 1b8t s ASN 3 CO 0.51 -0.30 0.00 1.87 -1.51 0.00 0.00 177.10 177.66 1b8t n TRP 4 N 3.47 -3.77 0.00 2.20 -0.00 -1.26 -5.07 117.44 113.01 1b8t n TRP 4 Ca 0.05 2.07 0.00 0.00 -0.00 0.00 0.00 57.50 59.62 1b8t n TRP 4 Cb 0.36 -3.43 0.00 0.00 -0.00 0.00 0.00 31.31 28.24 1b8t n TRP 4 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1b8t n GLY 5 N -4.32 2.04 0.00 5.87 0.00 -1.26 -5.18 105.19 102.33 1b8t n GLY 5 Ca -0.08 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 4.36 6.12 -0.02 0.00 -1.26 -5.07 105.19 109.32 1b8t n GLY 6 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.30 1.74 0.00 -0.02 0.00 -0.64 -4.88 105.19 101.10 1b8t n GLY 7 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1b8t n GLY 7 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1b8t n LYS 8 N 6.63 0.00 -1.96 1.61 2.85 0.79 -4.68 118.16 123.40 1b8t n LYS 8 Ca 0.00 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.84 1b8t n LYS 8 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 1b8t n LYS 8 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 1b8t s LYS 9 N -2.03 4.20 -0.48 -1.58 -2.85 -1.26 0.26 119.74 116.00 1b8t s LYS 9 Ca 0.00 2.28 -0.28 0.00 -1.00 0.00 0.00 55.97 56.97 1b8t s LYS 9 Cb 0.00 -3.69 0.03 0.00 -2.06 0.00 0.00 37.83 32.11 1b8t s LYS 9 CO 0.00 -0.75 1.08 0.00 0.10 0.00 0.00 175.35 175.78 1b8t n GLY 11 N 4.89 -0.97 0.06 0.00 0.00 -1.26 -0.11 105.19 107.80 1b8t n GLY 11 Ca 0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.63 0.43 0.12 1.61 0.31 -1.26 -4.64 118.33 114.26 1b8t n VAL 12 Ca 0.06 0.39 0.00 0.00 -0.01 0.00 0.00 64.34 64.78 1b8t n VAL 12 Cb 0.03 -1.72 -0.00 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 -3.26 0.00 -4.38 0.00 -0.06 0.85 -5.07 117.38 105.46 1b8t n GLN 14 Ca 0.02 0.10 -0.26 0.00 -2.00 0.00 0.00 57.00 54.85 1b8t n GLN 14 Cb 0.78 -2.44 -0.13 0.00 -4.06 0.00 0.00 30.24 24.39 1b8t n GLN 14 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 1b8t s LYS 15 N -2.52 1.27 0.52 3.69 2.36 -1.12 -4.85 119.74 119.09 1b8t s LYS 15 Ca 0.00 -1.21 -0.21 0.00 -2.55 0.00 0.00 55.97 52.00 1b8t s LYS 15 Cb 0.00 -1.61 -0.06 0.00 -1.05 0.00 0.00 37.83 35.11 1b8t s LYS 15 CO 0.00 0.38 1.16 0.00 1.55 0.00 0.00 175.35 178.45 1b8t s ALA 16 N -1.08 2.78 0.07 3.13 0.00 -1.26 0.18 121.76 125.58 1b8t s ALA 16 Ca 0.09 0.91 0.08 0.00 0.00 0.00 0.00 51.96 53.05 1b8t s ALA 16 Cb -0.10 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 1b8t s ALA 16 CO 0.05 -0.81 -0.23 0.08 0.00 0.00 0.00 175.76 174.85 1b8t s VAL 17 N -1.64 1.85 -0.04 0.00 1.01 0.14 -4.79 120.40 116.93 1b8t s VAL 17 Ca 0.70 -1.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 1b8t s VAL 17 Cb -0.27 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 1b8t s VAL 17 CO 0.31 0.15 -0.07 0.00 0.00 0.00 0.00 175.10 175.50 1b8t n TYR 18 N 1.50 0.01 -0.79 5.22 9.36 -1.26 -0.15 117.16 131.06 1b8t n TYR 18 Ca -0.18 0.01 0.00 0.00 3.32 0.00 0.00 57.90 61.05 1b8t n TYR 18 Cb 0.53 -0.12 0.00 0.00 -0.63 0.00 0.00 39.34 39.12 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 -2.88 0.00 0.00 2.98 3.72 -1.26 -1.61 117.46 118.40 1b8t n PHE 19 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1b8t n PHE 19 Cb 0.10 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 1b8t n PHE 19 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1b8t n ALA 20 N 0.00 0.00 -0.01 4.37 0.00 -1.26 -3.88 120.51 119.73 1b8t n ALA 20 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1b8t n ALA 20 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 0.72 -5.62 0.00 4.81 -1.97 -3.46 114.58 109.05 1b8t h GLU 21 Ca 0.00 -0.58 -0.67 0.00 -0.13 0.00 0.00 59.36 57.98 1b8t h GLU 21 Cb 0.00 0.12 0.08 0.00 0.63 0.00 0.00 28.75 29.58 1b8t h GLU 21 CO 0.00 1.19 -0.30 -1.91 -0.73 0.00 0.00 179.01 177.26 1b8t n GLU 22 N -3.92 0.00 -3.80 1.92 2.13 -1.25 -2.29 120.64 113.43 1b8t n GLU 22 Ca -0.07 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.51 1b8t n GLU 22 Cb 0.74 -1.10 -0.17 0.00 0.27 0.00 0.00 31.44 31.17 1b8t n GLU 22 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1b8t s VAL 23 N -0.61 0.56 0.03 6.31 1.01 0.40 -4.83 120.40 123.27 1b8t s VAL 23 Ca 0.69 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.33 1b8t s VAL 23 Cb -0.98 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1b8t s VAL 23 CO 0.53 0.25 1.03 0.00 0.00 0.00 0.00 175.10 176.91 1b8t s GLN 24 N 1.89 4.55 -0.03 2.72 -2.07 -1.26 -1.15 119.66 124.31 1b8t s GLN 24 Ca 0.05 1.51 0.01 0.00 -1.82 0.00 0.00 55.36 55.10 1b8t s GLN 24 Cb -0.13 -3.42 0.01 0.00 -1.09 0.00 0.00 33.01 28.39 1b8t s GLN 24 CO -0.06 -0.05 -0.04 0.00 -1.32 0.00 0.00 175.29 173.82 1b8t n GLU 26 N 3.70 0.02 0.00 0.00 1.02 -1.26 0.12 120.64 124.24 1b8t n GLU 26 Ca -0.22 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 1b8t n GLU 26 Cb 0.53 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 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 6.86 3.25 3.72 0.62 0.00 -1.26 -4.88 105.19 113.50 1b8t n GLY 27 Ca 0.62 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 1b8t n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b8t s SER 28 N 0.00 0.23 -0.03 1.61 0.01 0.12 -5.13 113.70 110.51 1b8t s SER 28 Ca 0.00 -1.20 0.07 0.00 1.31 0.00 0.00 55.95 56.12 1b8t s SER 28 Cb 0.00 0.79 -0.02 0.00 0.21 0.00 0.00 66.02 67.00 1b8t s SER 28 CO 0.00 -1.56 -0.22 -0.44 0.41 0.00 0.00 173.24 171.43 1b8t s SER 29 N -3.10 3.40 0.08 2.44 0.01 -1.26 -0.67 113.70 114.60 1b8t s SER 29 Ca 0.19 -0.38 0.01 0.00 1.31 0.00 0.00 55.95 57.08 1b8t s SER 29 Cb -0.04 -0.52 -0.04 0.00 0.21 0.00 0.00 66.02 65.64 1b8t s SER 29 CO 0.13 0.32 -0.05 -0.36 0.41 0.00 0.00 173.24 173.70 1b8t s PHE 30 N -0.67 0.72 1.12 2.43 0.08 -0.30 -4.07 117.98 117.29 1b8t s PHE 30 Ca 0.11 -0.96 -0.18 0.00 0.12 0.00 0.00 56.93 56.01 1b8t s PHE 30 Cb -0.10 -0.46 0.12 0.00 -0.57 0.00 0.00 43.02 42.01 1b8t s PHE 30 CO -0.00 -0.24 0.04 0.72 -0.10 0.00 0.00 175.22 175.64 1b8t n HIS 31 N 0.09 -1.62 0.21 0.36 8.25 -1.26 -0.46 115.22 120.79 1b8t n HIS 31 Ca -0.13 0.09 -0.10 0.00 -0.26 0.00 0.00 57.72 57.32 1b8t n HIS 31 Cb 0.61 -1.52 -0.05 0.00 1.12 0.00 0.00 29.99 30.15 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 -2.21 -0.57 -0.05 -0.41 3.64 -1.78 -1.86 116.57 113.33 1b8t h LYS 32 Ca -0.49 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 58.94 1b8t h LYS 32 Cb 1.28 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 33.22 1b8t h LYS 32 CO 0.34 -0.35 0.09 0.77 -2.27 0.00 0.00 179.45 178.03 1b8t h SER 33 N -1.13 0.00 0.31 4.20 0.02 -1.92 -1.66 113.55 113.37 1b8t h SER 33 Ca -0.06 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 1b8t h SER 33 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1b8t h SER 33 CO 0.10 0.00 -0.15 0.00 -1.14 0.00 0.00 176.83 175.64 1b8t s PHE 35 N -4.07 1.17 -0.09 0.00 2.19 -0.63 -4.87 117.98 111.68 1b8t s PHE 35 Ca -0.13 1.66 -0.06 0.00 0.33 0.00 0.00 56.93 58.74 1b8t s PHE 35 Cb 0.01 -3.57 0.04 0.00 -1.31 0.00 0.00 43.02 38.19 1b8t s PHE 35 CO 0.47 -2.07 0.23 -1.17 1.83 0.00 0.00 175.22 174.51 1b8t s LEU 36 N 13.06 0.69 -0.39 6.12 0.20 -1.26 -1.24 118.68 135.86 1b8t s LEU 36 Ca 0.92 0.48 -0.38 0.00 0.69 0.00 0.00 54.13 55.84 1b8t s LEU 36 Cb -0.14 0.72 -0.14 0.00 -0.43 0.00 0.00 46.19 46.19 1b8t s LEU 36 CO 0.17 -0.13 2.14 0.00 -0.29 0.00 0.00 176.35 178.23 1b8t n MET 38 N 7.75 0.77 0.00 0.00 2.81 -0.24 -0.09 117.12 128.12 1b8t n MET 38 Ca 0.44 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.33 1b8t n MET 38 Cb 0.14 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 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 -0.86 0.00 0.26 2.03 0.31 -1.26 -4.57 118.33 114.24 1b8t n VAL 39 Ca 0.13 0.25 0.14 0.00 -0.01 0.00 0.00 64.34 64.86 1b8t n VAL 39 Cb 0.06 -1.19 0.59 0.00 -0.91 0.00 0.00 33.84 32.39 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 -0.06 -3.93 0.00 4.81 0.88 -5.03 118.16 111.61 1b8t n LYS 41 Ca 0.00 0.39 -0.35 0.00 -0.87 0.00 0.00 58.31 57.48 1b8t n LYS 41 Cb 0.36 -3.93 -0.08 0.00 0.02 0.00 0.00 35.03 31.39 1b8t n LYS 41 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1b8t s LYS 42 N -2.61 3.78 0.46 1.64 2.20 -1.14 -4.84 119.74 119.23 1b8t s LYS 42 Ca 0.00 -0.25 -0.20 0.00 -0.36 0.00 0.00 55.97 55.16 1b8t s LYS 42 Cb 0.00 -3.22 -0.15 0.00 -1.51 0.00 0.00 37.83 32.95 1b8t s LYS 42 CO 0.00 0.48 0.04 0.27 -0.36 0.00 0.00 175.35 175.77 1b8t n ASN 43 N 2.93 -3.03 -4.37 1.43 6.94 -1.26 -0.16 115.26 117.74 1b8t n ASN 43 Ca -0.18 0.74 -0.25 0.00 -0.02 0.00 0.00 54.58 54.87 1b8t n ASN 43 Cb 0.53 -0.90 -0.09 0.00 -2.36 0.00 0.00 39.78 36.96 1b8t n ASN 43 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1b8t s LEU 44 N 4.30 2.15 0.33 -4.53 1.43 -0.37 -4.41 118.68 117.58 1b8t s LEU 44 Ca 0.59 -1.54 -0.19 0.00 -1.03 0.00 0.00 54.13 51.96 1b8t s LEU 44 Cb -0.56 -0.34 0.04 0.00 0.03 0.00 0.00 46.19 45.35 1b8t s LEU 44 CO 0.64 -0.77 0.75 -1.81 0.23 0.00 0.00 176.35 175.39 1b8t s ASP 45 N -3.60 -0.15 -1.18 2.29 1.11 -1.26 -4.65 116.67 109.23 1b8t s ASP 45 Ca 0.27 -0.84 -0.19 0.00 0.18 0.00 0.00 52.55 51.97 1b8t s ASP 45 Cb 0.05 0.78 -0.03 0.00 1.07 0.00 0.00 42.92 44.79 1b8t s ASP 45 CO 0.13 -1.50 1.95 -1.20 1.18 0.00 0.00 175.17 175.74 1b8t n SER 46 N -0.87 3.62 -3.41 0.27 7.64 -1.26 -4.49 113.62 115.12 1b8t n SER 46 Ca -0.06 -2.79 0.02 0.00 1.01 0.00 0.00 58.87 57.05 1b8t n SER 46 Cb 0.59 -1.56 -0.05 0.00 -1.01 0.00 0.00 64.21 62.18 1b8t n SER 46 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1b8t s THR 47 N 5.83 -0.18 -1.22 0.44 -1.32 -1.26 -4.95 115.64 112.98 1b8t s THR 47 Ca 0.57 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.94 1b8t s THR 47 Cb 0.08 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 70.16 1b8t s THR 47 CO 0.06 0.00 0.44 1.07 -2.21 0.00 0.00 174.62 173.99 1b8t n THR 48 N 4.29 -0.72 -4.16 5.08 5.66 -1.26 -4.88 114.28 118.29 1b8t n THR 48 Ca -0.11 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.66 1b8t n THR 48 Cb 0.55 -1.40 -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 -2.86 3.25 0.14 1.08 0.11 -1.26 -0.96 120.40 119.89 1b8t s VAL 49 Ca 0.42 -1.75 -0.03 0.00 -2.93 0.00 0.00 61.98 57.69 1b8t s VAL 49 Cb -0.23 -2.96 -0.03 0.00 -1.53 0.00 0.00 36.38 31.63 1b8t s VAL 49 CO 0.51 -0.25 0.12 0.00 -3.33 0.00 0.00 175.10 172.15 1b8t s ALA 50 N -2.38 0.58 0.46 1.54 0.00 0.35 -4.69 121.76 117.63 1b8t s ALA 50 Ca 0.35 -1.28 0.04 0.00 0.00 0.00 0.00 51.96 51.07 1b8t s ALA 50 Cb -0.04 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 1b8t s ALA 50 CO 0.22 -0.53 0.03 0.08 0.00 0.00 0.00 175.76 175.55 1b8t s VAL 51 N -4.02 1.59 -0.30 0.00 1.01 -1.26 -1.37 120.40 116.04 1b8t s VAL 51 Ca 0.21 -1.97 0.00 0.00 0.00 0.00 0.00 61.98 60.23 1b8t s VAL 51 Cb 0.06 -2.56 0.19 0.00 0.00 0.00 0.00 36.38 34.07 1b8t s VAL 51 CO 0.01 0.00 0.75 -2.28 0.00 0.00 0.00 175.10 173.58 1b8t s HIS 52 N -2.79 -1.36 0.00 5.22 2.46 0.47 -4.80 115.29 114.48 1b8t s HIS 52 Ca 0.21 0.72 0.00 0.00 0.47 0.00 0.00 55.06 56.46 1b8t s HIS 52 Cb 0.05 0.23 0.00 0.00 -0.13 0.00 0.00 32.58 32.74 1b8t s HIS 52 CO 0.11 -0.81 0.00 0.41 -2.47 0.00 0.00 174.74 171.98 1b8t n GLY 53 N 5.17 0.84 2.13 1.59 0.00 -1.26 0.25 105.19 113.91 1b8t n GLY 53 Ca 0.07 0.61 -0.27 0.00 0.00 0.00 0.00 46.02 46.43 1b8t n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b8t n ASP 54 N 7.72 5.61 -3.80 1.61 8.00 -1.26 -5.00 116.55 129.44 1b8t n ASP 54 Ca 0.00 -3.76 -0.09 0.00 0.71 0.00 0.00 54.79 51.65 1b8t n ASP 54 Cb 0.00 -0.51 -0.07 0.00 -0.02 0.00 0.00 41.12 40.53 1b8t n ASP 54 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1b8t s GLU 55 N -3.66 0.89 -0.05 -1.24 8.01 0.14 -5.16 118.70 117.63 1b8t s GLU 55 Ca 0.54 -0.88 0.04 0.00 0.01 0.00 0.00 54.97 54.68 1b8t s GLU 55 Cb 0.43 0.37 -0.00 0.00 -4.31 0.00 0.00 34.13 30.62 1b8t s GLU 55 CO 0.01 -0.30 -0.17 0.96 0.01 0.00 0.00 175.26 175.77 1b8t s ILE 56 N -3.79 1.42 0.04 -1.63 -4.36 -1.26 -0.40 121.20 111.21 1b8t s ILE 56 Ca 0.04 -0.70 0.01 0.00 -0.26 0.00 0.00 60.65 59.74 1b8t s ILE 56 Cb 0.04 -1.22 -0.02 0.00 1.25 0.00 0.00 42.46 42.50 1b8t s ILE 56 CO -0.11 0.41 -0.06 -0.31 0.24 0.00 0.00 174.94 175.11 1b8t s TYR 57 N 0.10 0.54 0.23 1.37 2.02 -0.47 -1.08 117.35 120.06 1b8t s TYR 57 Ca -0.05 -0.56 -0.27 0.00 -0.37 0.00 0.00 57.07 55.83 1b8t s TYR 57 Cb -0.12 -0.34 -0.09 0.00 -0.40 0.00 0.00 41.96 41.02 1b8t s TYR 57 CO 0.03 -0.13 0.86 0.00 -1.57 0.00 0.00 175.55 174.73 1b8t n LYS 59 N 1.26 -0.13 -0.25 0.00 4.81 -0.13 0.10 118.16 123.82 1b8t n LYS 59 Ca -0.02 1.05 0.07 0.00 -0.87 0.00 0.00 58.31 58.53 1b8t n LYS 59 Cb 0.49 -1.56 0.15 0.00 0.02 0.00 0.00 35.03 34.12 1b8t n LYS 59 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1b8t n SER 60 N -3.61 -0.18 0.26 3.14 3.41 -1.26 0.18 113.62 115.55 1b8t n SER 60 Ca 0.01 1.22 -0.15 0.00 -0.26 0.00 0.00 58.87 59.69 1b8t n SER 60 Cb 0.07 -0.40 -0.08 0.00 -0.26 0.00 0.00 64.21 63.54 1b8t n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b8t h TYR 62 N -0.86 -0.49 0.00 0.00 3.20 0.57 1.21 116.97 120.60 1b8t h TYR 62 Ca -0.07 0.08 -0.09 0.00 3.14 0.00 0.00 58.73 61.79 1b8t h TYR 62 Cb 0.58 0.35 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 1b8t h TYR 62 CO -0.00 -0.37 -0.45 0.78 -1.64 0.00 0.00 178.16 176.48 1b8t h GLY 63 N -0.00 0.00 0.74 1.82 0.00 -0.33 -0.39 103.07 104.90 1b8t h GLY 63 Ca 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.72 1b8t h GLY 63 CO -0.88 0.00 -0.11 1.70 0.00 0.00 0.00 176.54 177.25 1b8t h LYS 64 N 0.00 -0.30 -0.16 4.80 1.63 0.43 0.39 116.57 123.36 1b8t h LYS 64 Ca -0.00 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.80 1b8t h LYS 64 Cb 0.89 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.58 1b8t h LYS 64 CO 0.06 -0.02 0.04 0.87 -3.45 0.00 0.00 179.45 176.95 1b8t h LYS 65 N -0.58 0.25 -0.23 1.90 1.79 -0.37 -2.55 116.57 116.79 1b8t h LYS 65 Ca -0.03 -0.06 0.03 0.00 -2.18 0.00 0.00 60.65 58.40 1b8t h LYS 65 Cb 0.42 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 1b8t h LYS 65 CO 0.05 0.41 0.15 1.88 -1.08 0.00 0.00 179.45 180.86 1b8t h TYR 66 N 0.06 0.19 -3.15 -1.35 -1.99 -1.05 -3.44 116.97 106.24 1b8t h TYR 66 Ca 0.05 0.00 -0.55 0.00 2.00 0.00 0.00 58.73 60.24 1b8t h TYR 66 Cb 0.27 -0.06 0.21 0.00 2.00 0.00 0.00 36.73 39.14 1b8t h TYR 66 CO 0.01 0.11 -0.65 0.41 -0.00 0.00 0.00 178.16 178.04 1b8t n GLY 67 N -1.53 -2.12 3.64 3.88 0.00 0.14 -4.98 105.19 104.22 1b8t n GLY 67 Ca 0.01 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.80 -2.20 0.02 1.61 -0.04 -1.26 -5.00 135.00 127.33 1b8t n PRO 68 Ca 0.07 -1.88 -0.00 0.00 -0.04 0.00 0.00 63.50 61.64 1b8t n PRO 68 Cb 0.52 -1.49 -0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1b8t n PRO 68 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1b8t n LYS 69 N -4.29 0.03 0.00 0.54 5.02 -1.26 -5.08 118.16 113.11 1b8t n LYS 69 Ca 0.16 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1b8t n LYS 69 Cb 0.58 -0.34 0.00 0.00 -0.02 0.00 0.00 35.03 35.24 1b8t n LYS 69 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1b8t n GLY 70 N 3.31 0.74 3.27 0.72 0.00 -1.26 -5.14 105.19 106.83 1b8t n GLY 70 Ca -0.01 -2.11 -0.17 0.00 0.00 0.00 0.00 46.02 43.73 1b8t n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b8t s LYS 71 N -1.04 1.61 0.00 1.61 0.00 -1.26 -5.18 119.74 115.48 1b8t s LYS 71 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 55.97 54.06 1b8t s LYS 71 Cb 0.00 0.31 0.00 0.00 0.00 0.00 0.00 37.83 38.14 1b8t s LYS 71 CO 0.00 -0.58 0.00 0.41 0.00 0.00 0.00 175.35 175.18 1b8t n GLY 72 N -0.53 5.97 3.67 0.59 0.00 -1.26 -5.18 105.19 108.45 1b8t n GLY 72 Ca 0.06 -1.80 -0.11 0.00 0.00 0.00 0.00 46.02 44.17 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 1.64 1.96 0.41 1.61 0.00 -1.26 -5.19 119.74 118.91 1b8t s LYS 73 Ca 0.00 -1.47 0.04 0.00 0.00 0.00 0.00 55.97 54.54 1b8t s LYS 73 Cb 0.00 0.54 -0.01 0.00 0.00 0.00 0.00 37.83 38.35 1b8t s LYS 73 CO 0.00 -0.87 0.13 0.41 0.00 0.00 0.00 175.35 175.02 1b8t n GLY 74 N -0.51 3.28 3.80 0.59 0.00 -1.26 -5.18 105.19 105.92 1b8t n GLY 74 Ca -0.04 -2.14 -0.08 0.00 0.00 0.00 0.00 46.02 43.77 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 -3.56 1.76 0.00 1.61 1.75 -1.26 -5.19 119.30 114.42 1b8t s MET 75 Ca 0.18 -1.07 0.00 0.00 -1.25 0.00 0.00 55.69 53.56 1b8t s MET 75 Cb 0.01 0.58 0.00 0.00 2.84 0.00 0.00 34.83 38.26 1b8t s MET 75 CO 0.13 -0.79 0.00 0.41 -0.65 0.00 0.00 175.02 174.11 1b8t n GLY 76 N -0.45 5.11 3.85 2.11 0.00 -1.26 -5.19 105.19 109.36 1b8t n GLY 76 Ca -0.04 -1.53 0.02 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.37 0.00 4.61 0.00 -1.26 -5.19 121.76 115.55 1b8t s ALA 77 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1b8t s ALA 77 Cb 0.00 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.81 1b8t s ALA 77 CO 0.00 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.06 1b8t n GLY 78 N -0.74 2.47 3.62 0.00 0.00 -1.26 -5.18 105.19 104.10 1b8t n GLY 78 Ca -0.01 -0.68 -0.07 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.29 2.61 -1.32 -1.26 -5.18 115.64 108.20 1b8t s THR 79 Ca 0.00 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.23 1b8t s THR 79 Cb 0.00 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 70.15 1b8t s THR 79 CO 0.00 0.00 1.26 -0.22 -2.21 0.00 0.00 174.62 173.45 1b8t s LEU 80 N -0.42 -0.23 0.00 9.08 2.96 -1.26 -5.17 118.68 123.64 1b8t s LEU 80 Ca 0.04 0.44 0.00 0.00 -0.22 0.00 0.00 54.13 54.38 1b8t s LEU 80 Cb -0.03 1.44 0.00 0.00 0.50 0.00 0.00 46.19 48.10 1b8t s LEU 80 CO -0.06 -0.08 0.00 -1.20 -1.32 0.00 0.00 176.35 173.69 1b8t n SER 81 N 1.92 0.00 -3.72 3.68 7.64 -1.26 -5.17 113.62 116.72 1b8t n SER 81 Ca -0.11 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.64 1b8t n SER 81 Cb 0.56 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.63 1b8t n SER 81 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1b8t s THR 82 N -0.15 -0.08 0.00 0.44 2.01 -1.26 -5.14 115.64 111.46 1b8t s THR 82 Ca 0.00 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.17 1b8t s THR 82 Cb 0.00 -0.38 0.00 0.00 0.01 0.00 0.00 72.50 72.13 1b8t s THR 82 CO 0.00 0.07 0.00 -0.90 -0.69 0.00 0.00 174.62 173.10 1b8t n ASP 83 N 4.36 0.00 -3.59 3.53 5.68 -1.26 -5.18 116.55 120.09 1b8t n ASP 83 Ca -0.23 0.00 -0.07 0.00 -0.50 0.00 0.00 54.79 53.99 1b8t n ASP 83 Cb 0.53 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.47 1b8t n ASP 83 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1b8t s LYS 84 N -0.45 0.43 0.00 0.11 2.20 -1.26 -5.17 119.74 115.60 1b8t s LYS 84 Ca 0.00 0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.63 1b8t s LYS 84 Cb 0.00 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.52 1b8t s LYS 84 CO 0.00 -0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.25 1b8t n GLY 85 N 0.43 3.99 3.49 5.54 0.00 -1.26 -5.17 105.19 112.21 1b8t n GLY 85 Ca -0.05 -1.03 0.03 0.00 0.00 0.00 0.00 46.02 44.96 1b8t n GLY 85 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1b8t s GLU 86 N -5.07 0.04 -0.33 1.61 -1.05 -1.26 -5.13 118.70 107.51 1b8t s GLU 86 Ca 0.00 0.07 -0.08 0.00 -0.15 0.00 0.00 54.97 54.81 1b8t s GLU 86 Cb 0.00 0.02 0.19 0.00 -0.44 0.00 0.00 34.13 33.90 1b8t s GLU 86 CO 0.00 -0.01 1.03 0.45 0.95 0.00 0.00 175.26 177.68 1b8t s SER 87 N 1.38 -0.39 -0.30 0.83 0.15 -1.26 -5.15 113.70 108.96 1b8t s SER 87 Ca -0.05 -0.23 -0.20 0.00 0.70 0.00 0.00 55.95 56.16 1b8t s SER 87 Cb -0.02 0.50 0.19 0.00 -1.71 0.00 0.00 66.02 64.98 1b8t s SER 87 CO -0.12 -0.04 1.29 -0.22 1.20 0.00 0.00 173.24 175.36 1b8t s LEU 88 N 1.82 -0.12 0.00 3.45 2.96 -1.26 -5.13 118.68 120.40 1b8t s LEU 88 Ca 0.16 0.21 0.00 0.00 -0.22 0.00 0.00 54.13 54.28 1b8t s LEU 88 Cb 0.04 1.20 0.00 0.00 0.50 0.00 0.00 46.19 47.93 1b8t s LEU 88 CO -0.14 -0.03 0.00 0.61 -1.32 0.00 0.00 176.35 175.47 1b8t n GLY 89 N 2.50 2.07 3.15 7.98 0.00 -1.26 -5.15 105.19 114.48 1b8t n GLY 89 Ca -0.14 -0.61 0.05 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 -0.33 -0.30 -0.61 1.10 -1.26 -5.13 121.20 114.67 1b8t s ILE 90 Ca 0.00 0.00 -0.16 0.00 -0.51 0.00 0.00 60.65 59.98 1b8t s ILE 90 Cb 0.00 -0.36 0.18 0.00 0.15 0.00 0.00 42.46 42.43 1b8t s ILE 90 CO 0.00 0.00 1.16 -0.75 -2.11 0.00 0.00 174.94 173.24 1b8t s LYS 91 N 2.94 0.08 -0.30 3.50 2.20 -1.26 -5.16 119.74 121.75 1b8t s LYS 91 Ca 0.25 0.12 -0.17 0.00 -0.36 0.00 0.00 55.97 55.82 1b8t s LYS 91 Cb -0.03 0.07 0.18 0.00 -1.51 0.00 0.00 37.83 36.54 1b8t s LYS 91 CO -0.23 -0.11 1.13 1.52 -0.36 0.00 0.00 175.35 177.31 1b8t s TYR 92 N 2.98 -0.34 -0.30 4.03 1.13 -1.26 -5.15 117.35 118.44 1b8t s TYR 92 Ca 0.04 0.63 -0.17 0.00 -1.41 0.00 0.00 57.07 56.16 1b8t s TYR 92 Cb -0.06 0.20 0.18 0.00 -1.10 0.00 0.00 41.96 41.18 1b8t s TYR 92 CO -0.12 -0.17 1.20 -2.00 -2.51 0.00 0.00 175.55 171.94 1b8t s GLU 93 N 1.65 0.08 -0.26 -3.49 2.56 -1.26 -5.18 118.70 112.80 1b8t s GLU 93 Ca -0.05 0.17 -0.29 0.00 0.00 0.00 0.00 54.97 54.79 1b8t s GLU 93 Cb -0.03 0.10 0.18 0.00 2.00 0.00 0.00 34.13 36.38 1b8t s GLU 93 CO -0.14 -0.07 1.29 -2.00 -0.56 0.00 0.00 175.26 173.79 1b8t s GLU 94 N 2.65 0.16 0.00 4.30 2.12 -1.26 -5.19 118.70 121.49 1b8t s GLU 94 Ca -0.04 0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.33 1b8t s GLU 94 Cb -0.06 0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.40 1b8t s GLU 94 CO -0.11 -0.05 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 1b8t n GLY 95 N 0.59 2.52 3.61 -1.50 0.00 -1.26 -5.19 105.19 103.95 1b8t n GLY 95 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1b8t n GLY 95 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1b8t s GLN 96 N -2.00 0.30 0.13 1.61 -0.44 -1.26 -5.19 119.66 112.81 1b8t s GLN 96 Ca 0.00 -0.15 -0.21 0.00 -2.50 0.00 0.00 55.36 52.50 1b8t s GLN 96 Cb 0.00 0.11 0.06 0.00 -1.64 0.00 0.00 33.01 31.53 1b8t s GLN 96 CO 0.00 -0.13 0.53 0.45 0.50 0.00 0.00 175.29 176.63 1b8t s SER 97 N -2.75 -0.45 0.24 6.67 0.15 -1.26 -5.18 113.70 111.12 1b8t s SER 97 Ca 0.13 -0.06 0.02 0.00 0.70 0.00 0.00 55.95 56.74 1b8t s SER 97 Cb 0.04 0.54 -0.04 0.00 -1.71 0.00 0.00 66.02 64.85 1b8t s SER 97 CO -0.04 -0.89 0.17 -1.38 1.20 0.00 0.00 173.24 172.30 1b8t s HIS 98 N -3.53 1.35 -0.31 3.44 -3.43 -1.26 -5.14 115.29 106.42 1b8t s HIS 98 Ca 0.00 -1.46 -0.12 0.00 -0.80 0.00 0.00 55.06 52.69 1b8t s HIS 98 Cb 0.00 -0.62 0.19 0.00 -1.43 0.00 0.00 32.58 30.72 1b8t s HIS 98 CO -0.11 -0.70 1.08 0.50 -2.00 0.00 0.00 174.74 173.51 1b8t s ARG 99 N -3.94 0.12 1.04 -0.38 6.06 -1.26 -5.17 118.95 115.43 1b8t s ARG 99 Ca 0.39 0.03 -0.18 0.00 -2.50 0.00 0.00 55.73 53.47 1b8t s ARG 99 Cb 0.06 0.03 0.25 0.00 0.06 0.00 0.00 34.95 35.35 1b8t s ARG 99 CO 0.17 -0.20 1.15 -0.35 -2.50 0.00 0.00 175.30 173.57 1b8t n PRO 100 N 4.38 -2.12 -3.82 5.12 -0.04 -1.26 -5.09 135.00 132.16 1b8t n PRO 100 Ca 0.08 -1.80 -0.14 0.00 -0.04 0.00 0.00 63.50 61.59 1b8t n PRO 100 Cb 0.61 -1.42 -0.15 0.00 -0.04 0.00 0.00 33.50 32.49 1b8t n PRO 100 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1b8t s THR 101 N -3.32 -0.01 -0.01 0.52 2.01 -1.26 -5.15 115.64 108.41 1b8t s THR 101 Ca 0.69 0.14 -0.05 0.00 0.31 0.00 0.00 61.69 62.78 1b8t s THR 101 Cb -0.04 -0.08 0.00 0.00 0.01 0.00 0.00 72.50 72.39 1b8t s THR 101 CO 0.51 0.07 0.10 0.20 -0.69 0.00 0.00 174.62 174.81 1b8t s ASN 102 N 0.73 -0.00 1.12 3.53 -0.87 -1.26 -5.17 114.94 113.02 1b8t s ASN 102 Ca -0.06 -0.07 -0.18 0.00 -1.57 0.00 0.00 52.86 50.98 1b8t s ASN 102 Cb -0.09 0.21 0.25 0.00 -0.02 0.00 0.00 41.25 41.60 1b8t s ASN 102 CO -0.02 -0.23 1.14 -0.81 -2.57 0.00 0.00 177.10 174.62 1b8t n PRO 103 N 2.11 -2.11 -3.60 -0.60 -0.04 -1.26 -5.10 135.00 124.40 1b8t n PRO 103 Ca -0.19 -1.79 -0.04 0.00 -0.04 0.00 0.00 63.50 61.44 1b8t n PRO 103 Cb 0.57 -1.42 -0.02 0.00 -0.04 0.00 0.00 33.50 32.60 1b8t n PRO 103 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1b8t s ASN 104 N -4.94 -0.15 -0.30 3.54 2.20 -1.26 -5.18 114.94 108.85 1b8t s ASN 104 Ca 0.69 -0.06 -0.19 0.00 -0.94 0.00 0.00 52.86 52.36 1b8t s ASN 104 Cb -0.04 0.21 0.19 0.00 -2.00 0.00 0.00 41.25 39.61 1b8t s ASN 104 CO 0.51 -0.35 1.24 0.00 -2.94 0.00 0.00 177.10 175.55 1b8t s ALA 105 N -2.59 -2.46 0.28 3.54 0.00 -1.26 -5.19 121.76 114.09 1b8t s ALA 105 Ca 0.10 1.95 -0.20 0.00 0.00 0.00 0.00 51.96 53.81 1b8t s ALA 105 Cb 0.00 -1.86 0.02 0.00 0.00 0.00 0.00 23.12 21.28 1b8t s ALA 105 CO -0.05 -0.27 0.70 -1.54 0.00 0.00 0.00 175.76 174.61 1b8t s SER 106 N 0.82 -0.23 -0.26 0.00 1.04 -1.26 -5.18 113.70 108.64 1b8t s SER 106 Ca -0.04 -0.66 -0.23 0.00 0.48 0.00 0.00 55.95 55.50 1b8t s SER 106 Cb -0.03 0.72 0.07 0.00 0.10 0.00 0.00 66.02 66.88 1b8t s SER 106 CO -0.12 -1.35 0.68 -0.60 0.98 0.00 0.00 173.24 172.83 1b8t s ARG 107 N -3.87 0.79 -0.22 4.02 6.06 -1.26 -5.17 118.95 119.30 1b8t s ARG 107 Ca 0.12 0.96 -0.29 0.00 -2.50 0.00 0.00 55.73 54.01 1b8t s ARG 107 Cb -0.06 0.37 0.16 0.00 0.06 0.00 0.00 34.95 35.48 1b8t s ARG 107 CO 0.07 -0.10 1.17 1.41 -2.50 0.00 0.00 175.30 175.36 1b8t s MET 108 N 0.43 0.34 -0.03 5.12 1.75 -1.26 -5.19 119.30 120.46 1b8t s MET 108 Ca -0.01 0.09 -0.30 0.00 -1.25 0.00 0.00 55.69 54.23 1b8t s MET 108 Cb -0.05 0.16 0.11 0.00 2.84 0.00 0.00 34.83 37.89 1b8t s MET 108 CO -0.00 -0.10 1.31 0.00 -0.65 0.00 0.00 175.02 175.58 1b8t s ALA 109 N -1.02 -2.43 0.36 4.11 0.00 -1.26 -5.16 121.76 116.37 1b8t s ALA 109 Ca 0.03 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1b8t s ALA 109 Cb -0.01 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.78 1b8t s ALA 109 CO -0.03 -1.11 0.00 0.94 0.00 0.00 0.00 175.76 175.55 1b8t n GLN 110 N -0.74 -2.85 -3.85 0.00 7.27 -1.26 -5.10 117.38 110.84 1b8t n GLN 110 Ca -0.01 2.16 -0.01 0.00 0.07 0.00 0.00 57.00 59.21 1b8t n GLN 110 Cb 0.60 -2.55 0.01 0.00 2.41 0.00 0.00 30.24 30.71 1b8t n GLN 110 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1b8t s LYS 111 N -4.69 0.90 -0.21 3.69 1.02 -1.26 -5.19 119.74 114.01 1b8t s LYS 111 Ca 0.00 -0.56 -0.29 0.00 0.02 0.00 0.00 55.97 55.13 1b8t s LYS 111 Cb 0.00 0.26 0.15 0.00 -0.52 0.00 0.00 37.83 37.72 1b8t s LYS 111 CO 0.00 -0.42 1.13 0.54 -0.92 0.00 0.00 175.35 175.68 1b8t s VAL 112 N -2.30 0.00 0.10 3.17 0.11 -1.26 -5.19 120.40 115.03 1b8t s VAL 112 Ca 0.22 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 59.00 1b8t s VAL 112 Cb -0.01 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 33.93 1b8t s VAL 112 CO 0.02 0.00 1.09 -0.83 -3.33 0.00 0.00 175.10 172.05 1b8t s GLY 113 N -0.98 -0.21 -0.15 6.54 0.00 -1.26 -5.15 107.32 106.11 1b8t s GLY 113 Ca 0.02 0.18 0.02 0.00 0.00 0.00 0.00 44.72 44.95 1b8t s GLY 113 CO -0.02 0.84 -0.21 -0.32 0.00 0.00 0.00 173.10 173.39 1b8t s GLY 114 N -3.10 1.37 -0.07 0.20 0.00 -1.26 -5.10 107.32 99.36 1b8t s GLY 114 Ca 0.16 -1.13 -0.03 0.00 0.00 0.00 0.00 44.72 43.71 1b8t s GLY 114 CO 0.01 0.07 0.16 -0.56 0.00 0.00 0.00 173.10 172.78 1b8t s SER 115 N 0.96 -0.14 0.00 1.64 0.01 -1.26 -4.59 113.70 110.32 1b8t s SER 115 Ca -0.03 0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.57 1b8t s SER 115 Cb -0.15 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.31 1b8t s SER 115 CO -0.05 -0.15 0.00 0.47 0.41 0.00 0.00 173.24 173.92 1b8t n ASP 116 N 4.16 0.00 -4.36 2.44 8.00 -0.57 -5.06 116.55 121.16 1b8t n ASP 116 Ca -0.26 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.03 1b8t n ASP 116 Cb 0.52 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.52 1b8t n ASP 116 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1b8t s GLY 117 N -0.14 2.15 -0.43 0.44 0.00 -1.26 -0.09 107.32 107.99 1b8t s GLY 117 Ca 0.00 -1.83 -0.15 0.00 0.00 0.00 0.00 44.72 42.74 1b8t s GLY 117 CO 0.00 -1.79 0.32 0.00 0.00 0.00 0.00 173.10 171.64 1b8t n PRO 119 N 5.16 0.75 0.00 0.00 -0.04 -1.25 0.34 135.00 139.96 1b8t n PRO 119 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1b8t n PRO 119 Cb 0.46 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.97 0.00 0.08 0.54 5.12 -1.26 -4.64 116.66 115.53 1b8t n ARG 120 Ca 0.17 0.12 -0.08 0.00 -1.93 0.00 0.00 57.85 56.12 1b8t n ARG 120 Cb 0.08 -0.58 -0.04 0.00 -1.16 0.00 0.00 32.46 30.75 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 1.05 2.75 3.77 0.00 0.00 0.15 -5.06 105.19 107.84 1b8t n GLY 122 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.42 3.81 0.99 1.61 -0.21 -1.24 -4.35 119.66 119.85 1b8t s GLN 123 Ca 0.00 2.20 -0.11 0.00 0.02 0.00 0.00 55.36 57.47 1b8t s GLN 123 Cb 0.00 -2.67 0.19 0.00 1.00 0.00 0.00 33.01 31.53 1b8t s GLN 123 CO 0.00 -0.63 1.12 0.00 -2.12 0.00 0.00 175.29 173.65 1b8t n ALA 124 N -0.09 -1.35 -3.74 6.09 0.00 -1.26 0.19 120.51 120.34 1b8t n ALA 124 Ca 0.05 -0.72 -0.22 0.00 0.00 0.00 0.00 53.44 52.55 1b8t n ALA 124 Cb 0.44 -2.15 -0.17 0.00 0.00 0.00 0.00 19.45 17.57 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 -2.58 0.49 -0.30 0.00 1.01 0.86 -4.49 120.40 115.39 1b8t s VAL 125 Ca 0.67 0.00 -0.17 0.00 0.00 0.00 0.00 61.98 62.48 1b8t s VAL 125 Cb -0.24 -0.59 0.19 0.00 0.00 0.00 0.00 36.38 35.74 1b8t s VAL 125 CO 0.60 0.26 1.18 -0.47 0.00 0.00 0.00 175.10 176.67 1b8t s TYR 126 N 1.61 -0.26 0.01 5.22 5.04 -1.26 -1.51 117.35 126.20 1b8t s TYR 126 Ca -0.00 0.48 0.00 0.00 -2.44 0.00 0.00 57.07 55.10 1b8t s TYR 126 Cb -0.13 0.16 0.00 0.00 0.35 0.00 0.00 41.96 42.34 1b8t s TYR 126 CO -0.04 -0.13 0.00 0.00 -1.34 0.00 0.00 175.55 174.04 1b8t n ALA 127 N 4.30 -2.38 -1.61 3.97 0.00 -1.26 -4.95 120.51 118.59 1b8t n ALA 127 Ca -0.10 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1b8t n ALA 127 Cb 0.55 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 1.16 -2.01 -2.83 0.00 0.00 -1.26 -4.85 120.51 110.72 1b8t n ALA 128 Ca 0.00 0.44 -0.10 0.00 0.00 0.00 0.00 53.44 53.77 1b8t n ALA 128 Cb 0.00 -1.38 0.05 0.00 0.00 0.00 0.00 19.45 18.13 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 -0.36 -3.49 -4.17 0.00 2.13 -1.26 -4.98 120.64 108.51 1b8t n GLU 129 Ca 0.00 0.54 -0.27 0.00 0.66 0.00 0.00 57.16 58.09 1b8t n GLU 129 Cb 0.00 -4.53 -0.17 0.00 0.27 0.00 0.00 31.44 27.01 1b8t n GLU 129 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1b8t s LYS 130 N -4.61 1.73 0.07 5.31 -2.85 -1.26 -3.44 119.74 114.69 1b8t s LYS 130 Ca 0.07 -0.37 0.05 0.00 -1.00 0.00 0.00 55.97 54.73 1b8t s LYS 130 Cb -0.01 -1.62 -0.03 0.00 -2.06 0.00 0.00 37.83 34.11 1b8t s LYS 130 CO 0.46 -0.16 -0.15 0.54 0.10 0.00 0.00 175.35 176.15 1b8t s VAL 131 N 1.31 1.17 -0.18 1.79 0.11 0.14 -4.52 120.40 120.23 1b8t s VAL 131 Ca -0.02 -1.27 0.00 0.00 -2.93 0.00 0.00 61.98 57.76 1b8t s VAL 131 Cb -0.14 -1.11 0.04 0.00 -1.53 0.00 0.00 36.38 33.64 1b8t s VAL 131 CO -0.04 -0.17 -0.09 -0.63 -3.33 0.00 0.00 175.10 170.84 1b8t s ILE 132 N -1.18 1.47 -0.05 7.04 -1.09 -1.26 -1.05 121.20 125.08 1b8t s ILE 132 Ca -0.01 -0.83 -0.11 0.00 -2.23 0.00 0.00 60.65 57.48 1b8t s ILE 132 Cb -0.10 -1.54 0.02 0.00 -1.58 0.00 0.00 42.46 39.26 1b8t s ILE 132 CO 0.02 0.21 0.25 -0.83 -1.23 0.00 0.00 174.94 173.36 1b8t s GLY 133 N 1.48 -0.13 -1.28 6.18 0.00 0.10 -4.91 107.32 108.77 1b8t s GLY 133 Ca 0.00 0.41 -0.12 0.00 0.00 0.00 0.00 44.72 45.01 1b8t s GLY 133 CO -0.08 0.26 0.60 0.00 0.00 0.00 0.00 173.10 173.87 1b8t n ALA 134 N 2.03 -2.30 -3.90 3.20 0.00 -1.26 0.13 120.51 118.41 1b8t n ALA 134 Ca -0.18 -0.29 -0.31 0.00 0.00 0.00 0.00 53.44 52.66 1b8t n ALA 134 Cb 0.57 -2.71 -0.04 0.00 0.00 0.00 0.00 19.45 17.27 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 -1.88 -0.45 3.31 0.00 0.00 -1.26 -4.72 105.19 100.20 1b8t n GLY 135 Ca -0.20 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 -6.57 1.33 0.08 1.61 1.02 0.12 -5.12 119.74 112.21 1b8t s LYS 136 Ca 0.60 -1.55 0.07 0.00 0.02 0.00 0.00 55.97 55.11 1b8t s LYS 136 Cb -0.34 0.33 -0.03 0.00 -0.52 0.00 0.00 37.83 37.27 1b8t s LYS 136 CO 0.74 -0.47 -0.20 -1.54 -0.92 0.00 0.00 175.35 172.96 1b8t s SER 137 N -3.13 2.35 0.27 2.83 1.04 -1.26 0.00 113.70 115.80 1b8t s SER 137 Ca 0.35 -0.62 -0.21 0.00 0.48 0.00 0.00 55.95 55.95 1b8t s SER 137 Cb 0.05 -0.14 0.03 0.00 0.10 0.00 0.00 66.02 66.06 1b8t s SER 137 CO 0.12 0.07 0.78 0.26 0.98 0.00 0.00 173.24 175.45 1b8t s TRP 138 N -1.05 -0.12 -0.12 5.02 0.52 -0.21 -3.87 118.94 119.12 1b8t s TRP 138 Ca 0.05 -0.35 -0.29 0.00 0.02 0.00 0.00 56.10 55.53 1b8t s TRP 138 Cb -0.09 0.72 -0.04 0.00 -1.15 0.00 0.00 33.47 32.91 1b8t s TRP 138 CO 0.03 -1.22 1.51 -1.01 0.02 0.00 0.00 176.95 176.29 1b8t s HIS 139 N -3.49 2.30 -0.88 -1.98 3.76 -1.26 0.27 115.29 114.01 1b8t s HIS 139 Ca 0.12 0.52 -0.26 0.00 -0.15 0.00 0.00 55.06 55.30 1b8t s HIS 139 Cb -0.05 -3.78 -0.20 0.00 1.11 0.00 0.00 32.58 29.65 1b8t s HIS 139 CO 0.07 -2.98 1.93 1.17 -0.85 0.00 0.00 174.74 174.08 1b8t n LYS 140 N 7.02 0.78 0.00 1.40 0.00 -1.22 -0.35 118.16 125.79 1b8t n LYS 140 Ca 0.16 -1.85 0.00 0.00 0.00 0.00 0.00 58.31 56.62 1b8t n LYS 140 Cb 0.44 -3.47 0.00 0.00 0.00 0.00 0.00 35.03 32.00 1b8t n LYS 140 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1b8t n SER 141 N 14.36 0.00 0.04 3.14 7.64 -1.26 -4.82 113.62 132.72 1b8t n SER 141 Ca 0.45 0.00 0.01 0.00 1.01 0.00 0.00 58.87 60.34 1b8t n SER 141 Cb 0.45 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.58 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 -2.87 0.31 -4.01 0.00 -0.00 -1.02 -4.69 117.46 105.18 1b8t n PHE 143 Ca -0.08 0.21 -0.33 0.00 -0.00 0.00 0.00 57.45 57.25 1b8t n PHE 143 Cb 0.80 -1.38 -0.06 0.00 -0.00 0.00 0.00 39.48 38.84 1b8t n PHE 143 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 1b8t s ARG 144 N 5.96 3.22 0.01 -4.13 3.52 -1.26 -0.12 118.95 126.14 1b8t s ARG 144 Ca 0.94 -0.43 -0.30 0.00 -0.13 0.00 0.00 55.73 55.80 1b8t s ARG 144 Cb -0.82 -2.95 -0.04 0.00 -1.56 0.00 0.00 34.95 29.58 1b8t s ARG 144 CO 0.35 0.65 1.19 0.00 -0.81 0.00 0.00 175.30 176.68 1b8t n ALA 146 N 4.51 4.52 0.00 0.00 0.00 -0.51 -0.26 120.51 128.77 1b8t n ALA 146 Ca 0.10 -1.47 0.00 0.00 0.00 0.00 0.00 53.44 52.07 1b8t n ALA 146 Cb 0.47 -1.28 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 0.08 0.00 -0.00 0.00 3.00 -1.26 -4.86 118.16 115.11 1b8t n LYS 147 Ca 0.28 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.65 1b8t n LYS 147 Cb 0.80 -0.28 -0.08 0.00 0.00 0.00 0.00 35.03 35.47 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 1.77 0.58 3.83 0.00 0.00 0.65 -5.01 105.19 107.00 1b8t n GLY 149 Ca -0.01 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.52 4.12 0.24 1.61 2.47 -1.25 -4.67 119.74 120.75 1b8t s LYS 150 Ca 0.00 0.69 -0.30 0.00 -1.56 0.00 0.00 55.97 54.80 1b8t s LYS 150 Cb 0.00 -2.94 -0.09 0.00 -1.46 0.00 0.00 37.83 33.35 1b8t s LYS 150 CO 0.00 0.45 1.16 -1.54 0.16 0.00 0.00 175.35 175.59 1b8t s SER 151 N -1.63 7.14 0.30 1.43 1.04 -1.26 -0.33 113.70 120.38 1b8t s SER 151 Ca 0.39 2.29 0.04 0.00 0.48 0.00 0.00 55.95 59.15 1b8t s SER 151 Cb -0.16 -2.62 0.04 0.00 0.10 0.00 0.00 66.02 63.38 1b8t s SER 151 CO 0.20 -0.29 0.32 0.18 0.98 0.00 0.00 173.24 174.63 1b8t n LEU 152 N 1.78 0.00 0.00 2.42 4.77 0.84 -4.90 117.00 121.91 1b8t n LEU 152 Ca 0.02 -1.43 0.00 0.00 -0.03 0.00 0.00 56.01 54.57 1b8t n LEU 152 Cb 0.44 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1b8t n LEU 152 CO 0.55 -0.52 0.00 -1.84 -1.33 0.00 0.00 177.39 174.25 1b8t n GLU 153 N -1.42 0.00 -0.70 3.23 0.28 -1.26 -4.71 120.64 116.05 1b8t n GLU 153 Ca 0.04 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.72 1b8t n GLU 153 Cb 0.33 0.00 0.16 0.00 1.43 0.00 0.00 31.44 33.36 1b8t n GLU 153 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1b8t n SER 154 N 0.00 -1.87 -2.99 -1.84 3.41 -1.26 -4.77 113.62 104.31 1b8t n SER 154 Ca 0.00 0.13 -0.30 0.00 -0.26 0.00 0.00 58.87 58.44 1b8t n SER 154 Cb 0.00 -1.16 -0.06 0.00 -0.26 0.00 0.00 64.21 62.73 1b8t n SER 154 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1b8t n THR 155 N -4.11 3.67 -2.71 6.66 -1.04 -1.26 -4.13 114.28 111.36 1b8t n THR 155 Ca 0.05 -2.13 -0.09 0.00 -2.04 0.00 0.00 64.05 59.84 1b8t n THR 155 Cb 0.56 -2.39 0.06 0.00 -1.82 0.00 0.00 70.33 66.74 1b8t n THR 155 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1b8t n THR 156 N 3.42 0.56 -3.73 12.58 -2.24 -1.26 -5.09 114.28 118.52 1b8t n THR 156 Ca 0.64 -2.57 -0.37 0.00 -2.27 0.00 0.00 64.05 59.49 1b8t n THR 156 Cb 0.36 0.75 -0.11 0.00 -2.10 0.00 0.00 70.33 69.24 1b8t n THR 156 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1b8t s LEU 157 N -3.08 3.86 0.33 3.22 2.96 -1.26 -0.94 118.68 123.78 1b8t s LEU 157 Ca 0.26 -0.01 -0.15 0.00 -0.22 0.00 0.00 54.13 54.01 1b8t s LEU 157 Cb 0.43 -2.04 -0.09 0.00 0.50 0.00 0.00 46.19 44.99 1b8t s LEU 157 CO -0.01 0.03 0.74 0.00 -1.32 0.00 0.00 176.35 175.78 1b8t s ALA 158 N 1.27 3.32 -0.28 5.97 0.00 0.14 -4.87 121.76 127.31 1b8t s ALA 158 Ca 0.06 0.04 -0.03 0.00 0.00 0.00 0.00 51.96 52.03 1b8t s ALA 158 Cb -0.14 -2.77 0.09 0.00 0.00 0.00 0.00 23.12 20.30 1b8t s ALA 158 CO 0.05 0.32 0.10 0.16 0.00 0.00 0.00 175.76 176.39 1b8t s ASP 159 N -2.31 3.59 -1.16 0.00 -4.77 -1.26 -0.63 116.67 110.12 1b8t s ASP 159 Ca 0.54 -1.33 -0.16 0.00 -3.30 0.00 0.00 52.55 48.30 1b8t s ASP 159 Cb -0.10 -0.58 0.13 0.00 -1.09 0.00 0.00 42.92 41.28 1b8t s ASP 159 CO 0.18 -0.41 1.45 -0.75 0.70 0.00 0.00 175.17 176.34 1b8t s LYS 160 N 1.88 3.94 0.00 2.11 2.47 0.15 -4.78 119.74 125.51 1b8t s LYS 160 Ca 0.08 -2.20 0.00 0.00 -1.56 0.00 0.00 55.97 52.29 1b8t s LYS 160 Cb -0.17 -5.16 0.00 0.00 -1.46 0.00 0.00 37.83 31.04 1b8t s LYS 160 CO -0.27 -1.91 0.00 -0.25 0.16 0.00 0.00 175.35 173.08 1b8t n ASP 161 N 6.65 0.00 -0.01 1.43 10.43 -1.26 -0.97 116.55 132.83 1b8t n ASP 161 Ca 0.37 0.00 -0.00 0.00 2.57 0.00 0.00 54.79 57.73 1b8t n ASP 161 Cb 0.45 0.00 -0.02 0.00 1.84 0.00 0.00 41.12 43.39 1b8t n ASP 161 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1b8t n GLY 162 N 0.00 -0.13 3.84 0.44 0.00 -1.26 -4.63 105.19 103.45 1b8t n GLY 162 Ca 0.00 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 1b8t n GLY 162 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b8t s GLU 163 N -2.11 3.43 -0.02 1.61 8.01 -0.14 -4.95 118.70 124.53 1b8t s GLU 163 Ca -0.01 0.92 0.03 0.00 0.01 0.00 0.00 54.97 55.93 1b8t s GLU 163 Cb 0.01 -2.06 -0.01 0.00 -4.31 0.00 0.00 34.13 27.77 1b8t s GLU 163 CO 0.11 -0.71 -0.12 0.96 0.01 0.00 0.00 175.26 175.52 1b8t s ILE 164 N -2.91 0.98 0.19 -1.63 -4.36 -1.26 0.30 121.20 112.51 1b8t s ILE 164 Ca 0.58 -0.50 -0.00 0.00 -0.26 0.00 0.00 60.65 60.46 1b8t s ILE 164 Cb -0.12 -0.83 0.00 0.00 1.25 0.00 0.00 42.46 42.75 1b8t s ILE 164 CO 0.47 0.28 0.25 -1.22 0.24 0.00 0.00 174.94 174.97 1b8t n TYR 165 N 2.97 -0.90 -3.65 1.37 4.01 0.19 -1.42 117.16 119.73 1b8t n TYR 165 Ca -0.16 -1.33 -0.34 0.00 -0.16 0.00 0.00 57.90 55.91 1b8t n TYR 165 Cb 0.55 0.28 -0.05 0.00 -0.31 0.00 0.00 39.34 39.81 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 3.68 0.46 -0.11 0.00 1.63 -1.37 1.53 116.57 122.39 1b8t h LYS 167 Ca -0.49 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.31 1b8t h LYS 167 Cb 1.19 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.71 1b8t h LYS 167 CO 0.67 0.30 0.08 0.78 -3.45 0.00 0.00 179.45 177.83 1b8t h GLY 168 N 0.47 0.00 0.33 5.01 0.00 -1.93 0.42 103.07 107.38 1b8t h GLY 168 Ca 0.67 -0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.90 1b8t h GLY 168 CO -0.53 0.00 -0.47 0.00 0.00 0.00 0.00 176.54 175.54 1b8t h TYR 170 N -0.69 0.42 0.00 0.00 3.20 -0.21 0.45 116.97 120.14 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 1.33 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.46 1b8t h TYR 170 CO 0.23 0.25 -0.01 0.00 -1.64 0.00 0.00 178.16 176.99 1b8t h ALA 171 N 1.77 0.00 -0.20 1.82 0.00 -0.25 -3.21 119.26 119.19 1b8t h ALA 171 Ca 0.15 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1b8t h ALA 171 Cb 0.07 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1b8t h ALA 171 CO -0.04 0.01 -0.45 0.87 0.00 0.00 0.00 179.25 179.64 1b8t h LYS 172 N -0.65 -0.41 -1.11 0.00 1.57 -1.02 0.51 116.57 115.46 1b8t h LYS 172 Ca 0.00 0.03 0.43 0.00 -1.87 0.00 0.00 60.65 59.23 1b8t h LYS 172 Cb 0.01 0.09 -0.16 0.00 0.08 0.00 0.00 32.23 32.26 1b8t h LYS 172 CO 0.00 -0.27 0.66 0.09 -0.57 0.00 0.00 179.45 179.36 1b8t n ASN 173 N -4.91 0.28 -2.93 0.86 4.13 0.16 0.12 115.26 112.95 1b8t n ASN 173 Ca -0.04 1.47 -0.25 0.00 1.68 0.00 0.00 54.58 57.44 1b8t n ASN 173 Cb 0.30 -0.72 -0.03 0.00 -1.54 0.00 0.00 39.78 37.79 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 -4.93 3.40 -3.92 3.10 3.72 0.15 -5.05 117.46 113.93 1b8t n PHE 174 Ca 0.37 -3.87 -0.09 0.00 -0.05 0.00 0.00 57.45 53.81 1b8t n PHE 174 Cb 1.35 -0.44 -0.09 0.00 -0.94 0.00 0.00 39.48 39.36 1b8t n PHE 174 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1b8t s GLY 175 N -3.33 0.18 0.27 1.37 0.00 0.12 -4.80 107.32 101.12 1b8t s GLY 175 Ca 0.47 -0.65 -0.30 0.00 0.00 0.00 0.00 44.72 44.25 1b8t s GLY 175 CO -0.13 -0.80 1.08 2.56 0.00 0.00 0.00 173.10 175.81 1b8t s PRO 176 N -3.20 4.66 -0.25 2.90 0.04 -1.26 -4.93 135.00 132.96 1b8t s PRO 176 Ca 0.00 1.76 -0.29 0.00 0.04 0.00 0.00 61.00 62.52 1b8t s PRO 176 Cb 0.02 -3.21 0.17 0.00 0.04 0.00 0.00 34.50 31.52 1b8t s PRO 176 CO -0.07 0.23 1.23 0.21 0.04 0.00 0.00 177.00 178.64 1b8t s LYS 177 N -1.31 0.27 0.00 4.56 2.47 -1.26 -5.10 119.74 119.36 1b8t s LYS 177 Ca 0.45 0.11 0.00 0.00 -1.56 0.00 0.00 55.97 54.96 1b8t s LYS 177 Cb -0.31 0.13 0.00 0.00 -1.46 0.00 0.00 37.83 36.19 1b8t s LYS 177 CO 0.40 -0.07 0.00 0.41 0.16 0.00 0.00 175.35 176.24 1b8t n GLY 178 N 0.85 3.64 3.62 5.54 0.00 -1.26 -5.19 105.19 112.39 1b8t n GLY 178 Ca -0.06 -0.25 -0.04 0.00 0.00 0.00 0.00 46.02 45.67 1b8t n GLY 178 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1b8t s PHE 179 N -0.00 -0.12 -0.11 1.61 2.19 -1.26 -5.19 117.98 115.09 1b8t s PHE 179 Ca 0.00 0.18 -0.32 0.00 0.33 0.00 0.00 56.93 57.12 1b8t s PHE 179 Cb 0.00 0.49 0.12 0.00 -1.31 0.00 0.00 43.02 42.32 1b8t s PHE 179 CO 0.00 -0.13 1.05 0.20 1.83 0.00 0.00 175.22 178.17 1b8t s GLY 180 N -1.35 -0.35 -0.22 13.12 0.00 -1.26 -5.19 107.32 112.08 1b8t s GLY 180 Ca 0.07 1.46 -0.30 0.00 0.00 0.00 0.00 44.72 45.94 1b8t s GLY 180 CO -0.05 0.54 1.19 -0.11 0.00 0.00 0.00 173.10 174.67 1b8t s PHE 181 N -2.49 -0.18 0.00 1.90 -0.71 -1.26 -5.17 117.98 110.07 1b8t s PHE 181 Ca 0.06 0.29 0.00 0.00 -1.04 0.00 0.00 56.93 56.24 1b8t s PHE 181 Cb -0.01 0.48 0.00 0.00 -1.21 0.00 0.00 43.02 42.28 1b8t s PHE 181 CO -0.06 -0.19 0.00 0.41 -1.34 0.00 0.00 175.22 174.04 1b8t n GLY 182 N 0.49 3.63 1.04 1.99 0.00 -1.26 -5.16 105.19 105.92 1b8t n GLY 182 Ca -0.04 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1b8t n GLY 182 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1b8t n GLN 183 N 0.00 -2.86 0.00 1.61 3.00 -1.26 -5.09 117.38 112.78 1b8t n GLN 183 Ca 0.00 2.17 0.00 0.00 -0.01 0.00 0.00 57.00 59.16 1b8t n GLN 183 Cb 0.00 -2.57 0.00 0.00 0.00 0.00 0.00 30.24 27.67 1b8t n GLN 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1b8t n GLY 184 N -1.55 5.65 3.26 1.08 0.00 -1.26 -5.19 105.19 107.17 1b8t n GLY 184 Ca 0.00 -1.47 -0.17 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.00 1.61 0.00 4.61 0.00 -1.26 -5.13 121.76 119.59 1b8t s ALA 185 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 50.02 1b8t s ALA 185 Cb 0.00 1.45 0.00 0.00 0.00 0.00 0.00 23.12 24.57 1b8t s ALA 185 CO 0.00 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.53 1b8t n GLY 186 N -0.50 -0.42 1.61 0.00 0.00 -1.26 -5.16 105.19 99.47 1b8t n GLY 186 Ca 0.06 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1b8t n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b8t n ALA 187 N -0.09 -2.09 -3.66 4.61 0.00 -1.26 -5.05 120.51 112.98 1b8t n ALA 187 Ca 0.00 0.42 -0.06 0.00 0.00 0.00 0.00 53.44 53.81 1b8t n ALA 187 Cb 0.00 -1.35 -0.07 0.00 0.00 0.00 0.00 19.45 18.03 1b8t n ALA 187 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1b8t s LEU 188 N -2.30 -0.82 0.49 0.00 2.96 -1.26 -5.15 118.68 112.60 1b8t s LEU 188 Ca 0.00 1.30 -0.21 0.00 -0.22 0.00 0.00 54.13 55.01 1b8t s LEU 188 Cb 0.00 1.91 -0.07 0.00 0.50 0.00 0.00 46.19 48.52 1b8t s LEU 188 CO 0.00 -0.22 1.09 -0.63 -1.32 0.00 0.00 176.35 175.26 1b8t s ILE 189 N 2.38 3.47 -0.49 6.68 -1.09 -1.26 -5.01 121.20 125.89 1b8t s ILE 189 Ca -0.06 0.96 0.06 0.00 -2.23 0.00 0.00 60.65 59.38 1b8t s ILE 189 Cb -0.10 -3.41 0.22 0.00 -1.58 0.00 0.00 42.46 37.58 1b8t s ILE 189 CO -0.16 -0.16 0.52 1.57 -1.23 0.00 0.00 174.94 175.48 1b8t n HIS 190 N -0.94 0.83 -1.76 3.97 -0.00 -1.26 -5.10 115.22 110.95 1b8t n HIS 190 Ca 0.09 -3.72 -0.41 0.00 0.46 0.00 0.00 57.72 54.14 1b8t n HIS 190 Cb 0.51 -0.27 -0.00 0.00 -0.12 0.00 0.00 29.99 30.11 1b8t n HIS 190 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1b8t n SER 191 N 1.74 3.70 0.00 0.26 7.64 -1.26 -5.38 113.62 120.31 1b8t n SER 191 Ca 0.25 1.22 0.09 0.00 1.01 0.00 0.00 58.87 61.44 1b8t n SER 191 Cb 0.47 -1.60 0.52 0.00 -1.01 0.00 0.00 64.21 62.58 1b8t n SER 191 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03