#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 0.03 0.00 0.03 0.13 -2.15 -3.49 132.00 126.55 1b8t h PRO 2 Ca 0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1b8t h PRO 2 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1b8t h PRO 2 CO 0.00 0.77 0.00 0.09 -0.23 0.00 0.00 178.00 178.63 1b8t n ASN 3 N -4.69 0.00 -3.50 1.44 4.13 -1.26 -5.19 115.26 106.20 1b8t n ASN 3 Ca -0.09 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 56.06 1b8t n ASN 3 Cb 0.39 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.61 1b8t n ASN 3 CO 0.00 0.00 0.00 0.86 0.28 0.00 0.00 177.26 178.40 1b8t s TRP 4 N -2.00 -0.46 0.00 3.10 -0.00 -1.26 -5.18 118.94 113.13 1b8t s TRP 4 Ca 0.00 0.22 0.00 0.00 -0.00 0.00 0.00 56.10 56.32 1b8t s TRP 4 Cb 0.00 0.58 0.00 0.00 -0.00 0.00 0.00 33.47 34.05 1b8t s TRP 4 CO 0.00 -0.88 0.00 0.41 -0.00 0.00 0.00 176.95 176.48 1b8t n GLY 5 N -0.38 2.79 0.00 5.86 0.00 -1.26 -5.19 105.19 107.01 1b8t n GLY 5 Ca -0.14 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.95 -0.28 0.00 -0.02 0.00 -1.26 -5.16 105.19 97.52 1b8t n GLY 6 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.26 0.50 3.70 -0.02 0.00 -1.26 -4.39 105.19 103.45 1b8t n GLY 7 Ca 0.00 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 1b8t n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b8t s LYS 8 N -2.00 2.13 -0.16 1.61 -0.14 -0.26 -4.92 119.74 116.00 1b8t s LYS 8 Ca 0.00 -2.35 -0.01 0.00 -1.36 0.00 0.00 55.97 52.25 1b8t s LYS 8 Cb 0.00 -1.32 0.04 0.00 -1.68 0.00 0.00 37.83 34.87 1b8t s LYS 8 CO 0.00 -0.39 -0.04 0.15 -0.76 0.00 0.00 175.35 174.31 1b8t s LYS 9 N -3.83 1.31 -0.44 1.68 1.02 -1.26 -0.47 119.74 117.75 1b8t s LYS 9 Ca 0.10 -0.47 -0.28 0.00 0.02 0.00 0.00 55.97 55.34 1b8t s LYS 9 Cb 0.02 -1.96 -0.01 0.00 -0.52 0.00 0.00 37.83 35.36 1b8t s LYS 9 CO 0.06 -0.44 1.72 0.00 -0.92 0.00 0.00 175.35 175.77 1b8t n GLY 11 N 5.43 -0.99 0.03 0.00 0.00 -1.17 -0.08 105.19 108.42 1b8t n GLY 11 Ca 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.73 0.52 0.14 1.61 0.31 -1.26 -4.57 118.33 114.35 1b8t n VAL 12 Ca 0.11 0.39 0.05 0.00 -0.01 0.00 0.00 64.34 64.88 1b8t n VAL 12 Cb 0.05 -1.81 0.04 0.00 -0.91 0.00 0.00 33.84 31.21 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 -3.08 0.00 -4.52 0.00 7.27 0.89 -5.07 117.38 112.87 1b8t n GLN 14 Ca 0.00 0.07 -0.30 0.00 0.07 0.00 0.00 57.00 56.84 1b8t n GLN 14 Cb 0.68 -2.69 -0.12 0.00 2.41 0.00 0.00 30.24 30.52 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 -2.94 1.85 0.53 3.69 2.47 -1.04 -4.88 119.74 119.41 1b8t s LYS 15 Ca 0.00 -1.12 -0.20 0.00 -1.56 0.00 0.00 55.97 53.09 1b8t s LYS 15 Cb 0.00 -2.10 -0.06 0.00 -1.46 0.00 0.00 37.83 34.21 1b8t s LYS 15 CO 0.00 0.50 1.17 0.00 0.16 0.00 0.00 175.35 177.18 1b8t s ALA 16 N -1.01 2.76 0.26 3.13 0.00 -1.26 0.19 121.76 125.82 1b8t s ALA 16 Ca 0.15 0.92 0.07 0.00 0.00 0.00 0.00 51.96 53.11 1b8t s ALA 16 Cb -0.10 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 1b8t s ALA 16 CO 0.07 -0.85 -0.09 0.08 0.00 0.00 0.00 175.76 174.98 1b8t s VAL 17 N -1.64 1.71 0.90 0.00 1.01 0.38 -4.76 120.40 118.00 1b8t s VAL 17 Ca 0.71 -2.16 -0.12 0.00 0.00 0.00 0.00 61.98 60.41 1b8t s VAL 17 Cb -0.27 -2.35 0.18 0.00 0.00 0.00 0.00 36.38 33.94 1b8t s VAL 17 CO 0.32 -0.37 1.24 -0.31 0.00 0.00 0.00 175.10 175.97 1b8t s TYR 18 N -2.98 1.64 -1.15 5.22 2.02 -1.26 -1.10 117.35 119.73 1b8t s TYR 18 Ca 0.28 0.19 -0.04 0.00 -0.37 0.00 0.00 57.07 57.13 1b8t s TYR 18 Cb 0.02 -3.84 0.25 0.00 -0.40 0.00 0.00 41.96 37.99 1b8t s TYR 18 CO 0.11 -2.41 1.87 0.34 -1.57 0.00 0.00 175.55 173.89 1b8t n PHE 19 N -3.54 2.60 0.00 2.71 7.35 -1.26 -3.68 117.46 121.63 1b8t n PHE 19 Ca 0.15 -2.66 0.00 0.00 -0.76 0.00 0.00 57.45 54.18 1b8t n PHE 19 Cb 0.60 -1.48 0.00 0.00 0.35 0.00 0.00 39.48 38.94 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 1.39 0.00 -0.34 3.13 0.00 -1.26 -4.96 120.51 118.48 1b8t n ALA 20 Ca 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.84 1b8t n ALA 20 Cb 0.29 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.83 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 1.23 -5.67 0.00 4.22 -1.99 -3.44 114.58 108.94 1b8t h GLU 21 Ca 0.00 -0.11 -0.75 0.00 0.08 0.00 0.00 59.36 58.58 1b8t h GLU 21 Cb 0.00 -0.26 0.04 0.00 0.50 0.00 0.00 28.75 29.04 1b8t h GLU 21 CO 0.00 0.86 0.10 -0.85 -2.18 0.00 0.00 179.01 176.94 1b8t n GLU 22 N -4.39 0.00 -3.58 1.92 0.28 -1.24 -4.34 120.64 109.29 1b8t n GLU 22 Ca 0.10 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.71 1b8t n GLU 22 Cb 0.05 -1.42 -0.11 0.00 1.43 0.00 0.00 31.44 31.40 1b8t n GLU 22 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1b8t s VAL 23 N 0.21 5.19 -0.25 3.84 1.01 0.96 -4.98 120.40 126.39 1b8t s VAL 23 Ca 0.87 -0.07 -0.24 0.00 0.00 0.00 0.00 61.98 62.53 1b8t s VAL 23 Cb -1.22 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 31.59 1b8t s VAL 23 CO 0.56 0.12 0.83 0.00 0.00 0.00 0.00 175.10 176.61 1b8t s GLN 24 N 1.72 4.17 0.06 2.72 1.03 -1.26 -0.76 119.66 127.34 1b8t s GLN 24 Ca 0.06 0.92 0.06 0.00 0.04 0.00 0.00 55.36 56.45 1b8t s GLN 24 Cb -0.17 -3.65 -0.03 0.00 0.03 0.00 0.00 33.01 29.20 1b8t s GLN 24 CO 0.10 -0.53 -0.16 0.00 -2.54 0.00 0.00 175.29 172.16 1b8t h GLU 26 N 4.62 -0.47 -0.57 0.00 4.81 -2.00 0.39 114.58 121.35 1b8t h GLU 26 Ca -0.41 0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.02 1b8t h GLU 26 Cb 1.18 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 1b8t h GLU 26 CO 0.42 -0.32 0.51 0.78 -0.73 0.00 0.00 179.01 179.67 1b8t h GLY 27 N -0.49 0.00 0.00 1.92 0.00 -1.96 -3.46 103.07 99.08 1b8t h GLY 27 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1b8t h GLY 27 CO -0.44 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.54 1b8t n SER 28 N -3.94 0.00 -4.51 0.19 7.64 0.14 -5.01 113.62 108.12 1b8t n SER 28 Ca 0.11 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.65 1b8t n SER 28 Cb 0.73 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.81 1b8t n SER 28 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1b8t s SER 29 N -2.62 4.62 0.23 6.43 1.04 -1.25 0.24 113.70 122.39 1b8t s SER 29 Ca 0.00 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1b8t s SER 29 Cb 0.00 -1.53 -0.04 0.00 0.10 0.00 0.00 66.02 64.55 1b8t s SER 29 CO 0.00 0.24 0.12 -0.36 0.98 0.00 0.00 173.24 174.22 1b8t s PHE 30 N -0.09 1.35 1.31 5.02 0.08 0.06 -3.02 117.98 122.69 1b8t s PHE 30 Ca 0.01 -1.29 -0.19 0.00 0.12 0.00 0.00 56.93 55.58 1b8t s PHE 30 Cb -0.13 -0.72 0.33 0.00 -0.57 0.00 0.00 43.02 41.92 1b8t s PHE 30 CO 0.03 -0.50 0.98 -1.01 -0.10 0.00 0.00 175.22 174.62 1b8t s HIS 31 N -3.96 0.17 -0.03 0.36 3.76 -1.26 -0.03 115.29 114.30 1b8t s HIS 31 Ca 0.38 0.74 -0.24 0.00 -0.15 0.00 0.00 55.06 55.80 1b8t s HIS 31 Cb 0.07 -3.03 -0.22 0.00 1.11 0.00 0.00 32.58 30.52 1b8t s HIS 31 CO 0.13 -4.49 1.10 1.57 -0.85 0.00 0.00 174.74 172.20 1b8t h LYS 32 N -3.06 0.18 -0.11 1.40 2.10 -1.94 -2.66 116.57 112.47 1b8t h LYS 32 Ca -0.50 -0.16 -0.17 0.00 -2.00 0.00 0.00 60.65 57.82 1b8t h LYS 32 Cb 1.33 0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.70 1b8t h LYS 32 CO 0.37 0.84 -0.64 1.03 -2.00 0.00 0.00 179.45 179.05 1b8t h SER 33 N -0.43 0.49 -0.96 7.07 0.87 -1.95 -2.96 113.55 115.67 1b8t h SER 33 Ca -0.02 -0.29 0.07 0.00 -1.23 0.00 0.00 61.79 60.32 1b8t h SER 33 Cb 0.89 -0.14 -0.07 0.00 -0.44 0.00 0.00 62.40 62.65 1b8t h SER 33 CO 0.04 1.00 0.61 0.00 -0.53 0.00 0.00 176.83 177.96 1b8t n PHE 35 N -4.54 2.15 -3.93 0.00 -0.00 -1.01 -4.83 117.46 105.30 1b8t n PHE 35 Ca 0.15 -1.16 -0.14 0.00 -0.00 0.00 0.00 57.45 56.29 1b8t n PHE 35 Cb 0.19 -2.49 -0.15 0.00 -0.00 0.00 0.00 39.48 37.04 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 11.36 1.73 -0.31 -2.13 0.20 -1.25 -1.57 118.68 126.71 1b8t s LEU 36 Ca 0.71 -0.02 -0.37 0.00 0.69 0.00 0.00 54.13 55.14 1b8t s LEU 36 Cb 0.00 -0.11 -0.13 0.00 -0.43 0.00 0.00 46.19 45.52 1b8t s LEU 36 CO 0.15 -0.02 2.03 0.00 -0.29 0.00 0.00 176.35 178.22 1b8t n MET 38 N 7.21 0.98 -0.01 0.00 2.81 0.10 -0.27 117.12 127.95 1b8t n MET 38 Ca 0.36 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 56.24 1b8t n MET 38 Cb 0.20 -1.04 -0.00 0.00 -0.71 0.00 0.00 33.22 31.66 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 -0.46 0.18 0.15 2.03 0.31 -1.26 -4.70 118.33 114.57 1b8t n VAL 39 Ca 0.00 0.32 0.03 0.00 -0.01 0.00 0.00 64.34 64.68 1b8t n VAL 39 Cb 0.02 -1.43 0.08 0.00 -0.91 0.00 0.00 33.84 31.60 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 -3.28 0.00 -3.81 0.00 4.81 0.63 -5.05 118.16 111.46 1b8t n LYS 41 Ca 0.01 0.23 -0.35 0.00 -0.87 0.00 0.00 58.31 57.34 1b8t n LYS 41 Cb 0.70 -2.71 -0.09 0.00 0.02 0.00 0.00 35.03 32.95 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 -2.00 4.06 0.48 1.64 2.36 -1.17 -4.80 119.74 120.31 1b8t s LYS 42 Ca 0.00 -0.29 -0.23 0.00 -2.55 0.00 0.00 55.97 52.90 1b8t s LYS 42 Cb 0.00 -3.38 -0.08 0.00 -1.05 0.00 0.00 37.83 33.33 1b8t s LYS 42 CO 0.00 0.20 1.27 0.09 1.55 0.00 0.00 175.35 178.46 1b8t n ASN 43 N 3.81 2.40 -4.20 1.43 4.13 -1.26 0.30 115.26 121.86 1b8t n ASN 43 Ca -0.16 1.03 -0.32 0.00 1.68 0.00 0.00 54.58 56.81 1b8t n ASN 43 Cb 0.52 -1.51 -0.17 0.00 -1.54 0.00 0.00 39.78 37.08 1b8t n ASN 43 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1b8t s LEU 44 N -2.30 2.11 -0.07 3.41 1.43 -0.61 -4.72 118.68 117.93 1b8t s LEU 44 Ca 0.66 -0.58 -0.08 0.00 -1.03 0.00 0.00 54.13 53.10 1b8t s LEU 44 Cb -0.47 -1.43 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 1b8t s LEU 44 CO 0.54 0.12 -0.16 -0.90 0.23 0.00 0.00 176.35 176.18 1b8t n ASP 45 N 3.79 0.98 -2.69 2.29 5.68 -1.26 -4.69 116.55 120.65 1b8t n ASP 45 Ca -0.19 0.16 -0.04 0.00 -0.50 0.00 0.00 54.79 54.22 1b8t n ASP 45 Cb 0.52 -0.56 0.03 0.00 -1.14 0.00 0.00 41.12 39.98 1b8t n ASP 45 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1b8t n SER 46 N -3.48 -1.87 -3.06 -1.12 7.64 -1.26 -5.08 113.62 105.39 1b8t n SER 46 Ca -0.06 -1.44 -0.02 0.00 1.01 0.00 0.00 58.87 58.36 1b8t n SER 46 Cb 0.24 0.96 -0.01 0.00 -1.01 0.00 0.00 64.21 64.38 1b8t n SER 46 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1b8t s THR 47 N 0.90 -0.93 -1.02 0.44 2.01 -1.26 -4.98 115.64 110.79 1b8t s THR 47 Ca 0.25 -0.47 -0.12 0.00 0.31 0.00 0.00 61.69 61.67 1b8t s THR 47 Cb 0.11 -0.06 -0.02 0.00 0.01 0.00 0.00 72.50 72.53 1b8t s THR 47 CO -0.10 -0.06 0.79 0.41 -0.69 0.00 0.00 174.62 174.98 1b8t n THR 48 N 3.85 -7.19 -4.00 -0.82 -1.04 -1.26 -4.80 114.28 99.03 1b8t n THR 48 Ca 0.14 -0.85 -0.31 0.00 -2.04 0.00 0.00 64.05 60.99 1b8t n THR 48 Cb 0.56 -5.20 -0.06 0.00 -1.82 0.00 0.00 70.33 63.81 1b8t n THR 48 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1b8t s VAL 49 N -3.32 4.85 0.25 12.58 0.11 -1.26 -1.19 120.40 132.42 1b8t s VAL 49 Ca 0.35 -0.63 0.04 0.00 -2.93 0.00 0.00 61.98 58.81 1b8t s VAL 49 Cb -0.10 -3.35 -0.05 0.00 -1.53 0.00 0.00 36.38 31.34 1b8t s VAL 49 CO 0.82 0.13 -0.01 0.00 -3.33 0.00 0.00 175.10 172.70 1b8t s ALA 50 N -1.44 1.96 0.35 1.54 0.00 0.30 -4.78 121.76 119.69 1b8t s ALA 50 Ca 0.31 -1.81 0.09 0.00 0.00 0.00 0.00 51.96 50.55 1b8t s ALA 50 Cb -0.12 0.42 -0.07 0.00 0.00 0.00 0.00 23.12 23.35 1b8t s ALA 50 CO 0.24 -0.21 -0.08 0.08 0.00 0.00 0.00 175.76 175.80 1b8t s VAL 51 N -3.31 2.14 -0.30 0.00 1.01 -1.26 -1.27 120.40 117.41 1b8t s VAL 51 Ca 0.29 -2.17 -0.05 0.00 0.00 0.00 0.00 61.98 60.04 1b8t s VAL 51 Cb 0.05 -2.67 0.19 0.00 0.00 0.00 0.00 36.38 33.95 1b8t s VAL 51 CO 0.10 -0.18 0.80 -2.28 0.00 0.00 0.00 175.10 173.53 1b8t s HIS 52 N -2.67 -1.15 0.00 5.22 5.04 0.78 -4.81 115.29 117.70 1b8t s HIS 52 Ca 0.33 1.11 0.00 0.00 -1.54 0.00 0.00 55.06 54.95 1b8t s HIS 52 Cb 0.04 0.36 0.00 0.00 0.04 0.00 0.00 32.58 33.02 1b8t s HIS 52 CO 0.16 -0.64 0.00 0.41 -2.34 0.00 0.00 174.74 172.33 1b8t n GLY 53 N 5.42 1.08 2.27 1.59 0.00 -1.26 0.12 105.19 114.41 1b8t n GLY 53 Ca -0.02 0.60 -0.26 0.00 0.00 0.00 0.00 46.02 46.34 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 7.40 4.92 -3.49 1.61 8.00 -1.26 -4.87 116.55 128.86 1b8t n ASP 54 Ca 0.00 -3.74 -0.13 0.00 0.71 0.00 0.00 54.79 51.64 1b8t n ASP 54 Cb 0.00 -0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 40.64 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 -3.58 1.18 0.03 -1.24 2.02 0.12 -5.04 118.70 112.19 1b8t s GLU 55 Ca 0.50 -0.40 0.07 0.00 0.02 0.00 0.00 54.97 55.16 1b8t s GLU 55 Cb 0.41 0.54 -0.03 0.00 0.10 0.00 0.00 34.13 35.15 1b8t s GLU 55 CO -0.08 -0.48 -0.18 0.96 0.02 0.00 0.00 175.26 175.49 1b8t s ILE 56 N -3.29 2.76 -0.07 -1.63 -4.36 -1.26 -0.16 121.20 113.20 1b8t s ILE 56 Ca -0.01 -1.14 -0.04 0.00 -0.26 0.00 0.00 60.65 59.21 1b8t s ILE 56 Cb -0.00 -2.14 0.03 0.00 1.25 0.00 0.00 42.46 41.60 1b8t s ILE 56 CO -0.09 0.38 0.16 -0.31 0.24 0.00 0.00 174.94 175.32 1b8t s TYR 57 N -0.88 -0.18 0.25 1.37 2.02 -0.40 -0.72 117.35 118.82 1b8t s TYR 57 Ca 0.14 0.49 -0.30 0.00 -0.37 0.00 0.00 57.07 57.04 1b8t s TYR 57 Cb -0.10 -0.04 -0.09 0.00 -0.40 0.00 0.00 41.96 41.32 1b8t s TYR 57 CO 0.04 -0.15 1.30 0.00 -1.57 0.00 0.00 175.55 175.17 1b8t n LYS 59 N 1.91 -0.43 -0.27 0.00 5.02 -0.33 0.90 118.16 124.96 1b8t n LYS 59 Ca 0.04 1.49 0.07 0.00 -2.02 0.00 0.00 58.31 57.89 1b8t n LYS 59 Cb 0.42 -2.19 0.15 0.00 -0.02 0.00 0.00 35.03 33.39 1b8t n LYS 59 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1b8t n SER 60 N -5.21 -0.21 0.24 4.39 2.88 -1.26 0.18 113.62 114.63 1b8t n SER 60 Ca 0.02 1.30 -0.15 0.00 -1.33 0.00 0.00 58.87 58.71 1b8t n SER 60 Cb 0.25 -0.42 -0.08 0.00 -0.75 0.00 0.00 64.21 63.21 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 -0.72 -0.60 0.00 0.00 -1.99 0.34 0.97 116.97 114.97 1b8t h TYR 62 Ca -0.06 0.07 -0.05 0.00 2.00 0.00 0.00 58.73 60.69 1b8t h TYR 62 Cb 0.51 0.37 -0.01 0.00 2.00 0.00 0.00 36.73 39.61 1b8t h TYR 62 CO -0.01 -0.35 -0.24 0.78 -0.00 0.00 0.00 178.16 178.34 1b8t h GLY 63 N -0.05 0.00 1.43 3.88 0.00 -0.24 0.13 103.07 108.22 1b8t h GLY 63 Ca 0.32 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.47 1b8t h GLY 63 CO -0.75 0.00 -0.60 0.50 0.00 0.00 0.00 176.54 175.69 1b8t h LYS 64 N 0.00 0.59 0.00 4.80 1.79 0.45 0.45 116.57 124.64 1b8t h LYS 64 Ca -0.00 -0.40 0.00 0.00 -2.18 0.00 0.00 60.65 58.07 1b8t h LYS 64 Cb 0.70 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 1b8t h LYS 64 CO 0.03 1.02 -0.04 -0.22 -1.08 0.00 0.00 179.45 179.15 1b8t h LYS 65 N 0.44 0.00 -0.26 3.15 3.64 0.21 -3.35 116.57 120.40 1b8t h LYS 65 Ca -0.00 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.44 1b8t h LYS 65 Cb 1.17 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1b8t h LYS 65 CO 0.12 0.00 0.18 1.88 -2.27 0.00 0.00 179.45 179.36 1b8t h TYR 66 N -0.47 0.04 0.00 1.91 0.05 -0.89 -3.42 116.97 114.18 1b8t h TYR 66 Ca 0.00 0.00 -0.42 0.00 0.05 0.00 0.00 58.73 58.36 1b8t h TYR 66 Cb 0.04 -0.01 -0.08 0.00 1.01 0.00 0.00 36.73 37.69 1b8t h TYR 66 CO -0.02 0.02 1.58 0.41 -1.05 0.00 0.00 178.16 179.10 1b8t n GLY 67 N -1.58 -0.43 3.77 3.88 0.00 0.16 -4.85 105.19 106.14 1b8t n GLY 67 Ca 0.03 0.84 -0.30 0.00 0.00 0.00 0.00 46.02 46.60 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 7.59 0.14 0.31 1.61 0.04 -1.26 -4.96 135.00 138.46 1b8t s PRO 68 Ca 1.19 -0.09 -0.05 0.00 0.04 0.00 0.00 61.00 62.09 1b8t s PRO 68 Cb -1.04 -1.76 -0.00 0.00 0.04 0.00 0.00 34.50 31.74 1b8t s PRO 68 CO 0.44 -2.80 0.44 0.21 0.04 0.00 0.00 177.00 175.33 1b8t s LYS 69 N -5.54 1.76 -0.03 4.56 2.20 -1.26 -5.18 119.74 116.25 1b8t s LYS 69 Ca 0.70 -1.63 -0.29 0.00 -0.36 0.00 0.00 55.97 54.38 1b8t s LYS 69 Cb -0.09 0.43 0.10 0.00 -1.51 0.00 0.00 37.83 36.77 1b8t s LYS 69 CO 0.54 -0.72 1.30 0.20 -0.36 0.00 0.00 175.35 176.31 1b8t s GLY 70 N -3.18 -0.22 0.04 5.54 0.00 -1.26 -5.19 107.32 103.05 1b8t s GLY 70 Ca 0.29 0.25 -0.27 0.00 0.00 0.00 0.00 44.72 44.99 1b8t s GLY 70 CO 0.17 4.10 1.20 -1.59 0.00 0.00 0.00 173.10 176.98 1b8t s LYS 71 N -2.11 0.67 0.00 2.90 -2.85 -1.26 -5.19 119.74 111.90 1b8t s LYS 71 Ca 0.25 -0.41 0.00 0.00 -1.00 0.00 0.00 55.97 54.81 1b8t s LYS 71 Cb 0.01 0.20 0.00 0.00 -2.06 0.00 0.00 37.83 35.98 1b8t s LYS 71 CO -0.02 -0.31 0.00 0.41 0.10 0.00 0.00 175.35 175.53 1b8t n GLY 72 N -0.71 0.43 3.85 0.59 0.00 -1.26 -5.19 105.19 102.90 1b8t n GLY 72 Ca -0.02 -0.85 0.01 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.00 0.54 0.10 1.61 0.00 -1.26 -5.19 119.74 113.54 1b8t s LYS 73 Ca 0.00 -0.34 -0.19 0.00 0.00 0.00 0.00 55.97 55.44 1b8t s LYS 73 Cb 0.00 0.16 0.07 0.00 0.00 0.00 0.00 37.83 38.06 1b8t s LYS 73 CO 0.00 -0.25 0.89 0.41 0.00 0.00 0.00 175.35 176.40 1b8t n GLY 74 N -0.74 0.60 3.56 0.59 0.00 -1.26 -5.19 105.19 102.75 1b8t n GLY 74 Ca -0.01 -1.08 0.04 0.00 0.00 0.00 0.00 46.02 44.97 1b8t n GLY 74 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1b8t s MET 75 N -2.03 0.06 -0.07 1.61 -1.94 -1.26 -5.19 119.30 110.47 1b8t s MET 75 Ca 0.20 -0.03 -0.31 0.00 -1.71 0.00 0.00 55.69 53.84 1b8t s MET 75 Cb -0.02 0.02 0.13 0.00 2.01 0.00 0.00 34.83 36.97 1b8t s MET 75 CO 0.03 -0.03 1.38 0.20 -0.01 0.00 0.00 175.02 176.59 1b8t s GLY 76 N -2.98 -0.37 0.00 -0.03 0.00 -1.26 -5.19 107.32 97.49 1b8t s GLY 76 Ca 0.15 0.60 -0.29 0.00 0.00 0.00 0.00 44.72 45.18 1b8t s GLY 76 CO -0.06 2.65 1.27 0.00 0.00 0.00 0.00 173.10 176.95 1b8t s ALA 77 N -2.08 -2.31 0.28 3.20 0.00 -1.26 -5.19 121.76 114.40 1b8t s ALA 77 Ca 0.21 0.25 -0.13 0.00 0.00 0.00 0.00 51.96 52.29 1b8t s ALA 77 Cb 0.04 0.68 0.05 0.00 0.00 0.00 0.00 23.12 23.90 1b8t s ALA 77 CO -0.05 -1.11 0.69 0.41 0.00 0.00 0.00 175.76 175.71 1b8t n GLY 78 N -0.73 1.06 3.47 0.00 0.00 -1.26 -5.19 105.19 102.54 1b8t n GLY 78 Ca -0.02 -1.19 -0.24 0.00 0.00 0.00 0.00 46.02 44.58 1b8t n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1b8t s THR 79 N -2.24 0.53 0.30 2.61 -4.23 -1.26 -5.17 115.64 106.18 1b8t s THR 79 Ca 0.14 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.45 1b8t s THR 79 Cb -0.04 -2.40 0.02 0.00 1.34 0.00 0.00 72.50 71.43 1b8t s THR 79 CO 0.08 0.00 0.73 -0.22 -0.54 0.00 0.00 174.62 174.67 1b8t s LEU 80 N -3.55 -0.21 0.24 4.79 2.96 -1.26 -5.19 118.68 116.45 1b8t s LEU 80 Ca 0.27 -0.70 -0.11 0.00 -0.22 0.00 0.00 54.13 53.38 1b8t s LEU 80 Cb 0.03 2.73 -0.01 0.00 0.50 0.00 0.00 46.19 49.44 1b8t s LEU 80 CO 0.16 -1.40 0.41 -0.94 -1.32 0.00 0.00 176.35 173.27 1b8t s SER 81 N -2.94 -0.05 -0.08 3.68 1.04 -1.26 -5.18 113.70 108.91 1b8t s SER 81 Ca 0.12 -1.01 -0.16 0.00 0.48 0.00 0.00 55.95 55.38 1b8t s SER 81 Cb -0.06 0.55 0.04 0.00 0.10 0.00 0.00 66.02 66.64 1b8t s SER 81 CO 0.08 -1.08 0.39 -0.89 0.98 0.00 0.00 173.24 172.72 1b8t s THR 82 N -4.04 0.03 0.14 2.02 2.01 -1.26 -5.17 115.64 109.36 1b8t s THR 82 Ca 0.25 -0.21 -0.01 0.00 0.31 0.00 0.00 61.69 62.03 1b8t s THR 82 Cb 0.01 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 1b8t s THR 82 CO 0.09 -0.12 0.07 -1.81 -0.69 0.00 0.00 174.62 172.17 1b8t s ASP 83 N -0.62 0.29 0.29 3.53 1.01 -1.26 -5.18 116.67 114.73 1b8t s ASP 83 Ca -0.07 -1.21 0.02 0.00 0.71 0.00 0.00 52.55 52.00 1b8t s ASP 83 Cb -0.04 0.31 -0.02 0.00 1.01 0.00 0.00 42.92 44.18 1b8t s ASP 83 CO 0.03 -0.74 0.29 -0.75 0.21 0.00 0.00 175.17 174.21 1b8t s LYS 84 N -4.05 1.62 0.00 8.23 2.20 -1.26 -5.18 119.74 121.30 1b8t s LYS 84 Ca 0.25 -1.81 0.00 0.00 -0.36 0.00 0.00 55.97 54.05 1b8t s LYS 84 Cb 0.07 0.34 0.00 0.00 -1.51 0.00 0.00 37.83 36.74 1b8t s LYS 84 CO 0.02 -0.61 0.00 0.41 -0.36 0.00 0.00 175.35 174.82 1b8t n GLY 85 N -0.50 2.26 3.66 5.54 0.00 -1.26 -5.19 105.19 109.70 1b8t n GLY 85 Ca 0.04 -1.04 -0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.72 0.66 0.18 1.61 -1.05 -1.26 -5.19 118.70 111.93 1b8t s GLU 86 Ca 0.00 -0.36 -0.24 0.00 -0.15 0.00 0.00 54.97 54.22 1b8t s GLU 86 Cb 0.00 0.23 0.05 0.00 -0.44 0.00 0.00 34.13 33.97 1b8t s GLU 86 CO 0.00 -0.30 0.91 -1.54 0.95 0.00 0.00 175.26 175.27 1b8t s SER 87 N -2.96 -0.19 0.31 0.83 1.04 -1.26 -5.19 113.70 106.28 1b8t s SER 87 Ca 0.13 -0.45 -0.05 0.00 0.48 0.00 0.00 55.95 56.06 1b8t s SER 87 Cb 0.03 0.54 -0.00 0.00 0.10 0.00 0.00 66.02 66.69 1b8t s SER 87 CO -0.02 -1.00 0.46 -0.76 0.98 0.00 0.00 173.24 172.90 1b8t s LEU 88 N -2.94 0.81 0.17 2.42 1.43 -1.26 -5.19 118.68 114.12 1b8t s LEU 88 Ca 0.12 -1.33 -0.23 0.00 -1.03 0.00 0.00 54.13 51.67 1b8t s LEU 88 Cb -0.02 1.52 0.08 0.00 0.03 0.00 0.00 46.19 47.79 1b8t s LEU 88 CO 0.03 -1.24 1.07 -0.83 0.23 0.00 0.00 176.35 175.61 1b8t s GLY 89 N -3.17 0.11 0.22 -3.19 0.00 -1.26 -5.19 107.32 94.84 1b8t s GLY 89 Ca 0.29 -0.34 -0.22 0.00 0.00 0.00 0.00 44.72 44.45 1b8t s GLY 89 CO 0.17 3.00 0.91 -1.50 0.00 0.00 0.00 173.10 175.67 1b8t s ILE 90 N -2.09 0.00 0.18 0.90 2.07 -1.26 -5.19 121.20 115.81 1b8t s ILE 90 Ca 0.23 -0.76 -0.24 0.00 -1.41 0.00 0.00 60.65 58.47 1b8t s ILE 90 Cb -0.03 -2.34 0.07 0.00 0.13 0.00 0.00 42.46 40.29 1b8t s ILE 90 CO 0.05 0.00 0.98 -1.59 -1.91 0.00 0.00 174.94 172.47 1b8t s LYS 91 N -2.99 1.29 0.03 3.50 -2.85 -1.26 -5.19 119.74 112.26 1b8t s LYS 91 Ca 0.15 -0.76 -0.28 0.00 -1.00 0.00 0.00 55.97 54.07 1b8t s LYS 91 Cb -0.03 0.40 0.10 0.00 -2.06 0.00 0.00 37.83 36.25 1b8t s LYS 91 CO 0.05 -0.59 1.22 1.52 0.10 0.00 0.00 175.35 177.65 1b8t s TYR 92 N -2.86 -0.02 -0.05 1.78 1.13 -1.26 -5.19 117.35 110.88 1b8t s TYR 92 Ca 0.16 -0.15 -0.31 0.00 -1.41 0.00 0.00 57.07 55.36 1b8t s TYR 92 Cb -0.02 0.58 0.12 0.00 -1.10 0.00 0.00 41.96 41.54 1b8t s TYR 92 CO 0.04 -0.42 1.17 -1.21 -2.51 0.00 0.00 175.55 172.62 1b8t s GLU 93 N -2.39 0.53 -0.30 -3.49 2.02 -1.26 -5.19 118.70 108.63 1b8t s GLU 93 Ca 0.19 -0.26 -0.35 0.00 0.02 0.00 0.00 54.97 54.57 1b8t s GLU 93 Cb 0.02 0.20 0.17 0.00 0.10 0.00 0.00 34.13 34.63 1b8t s GLU 93 CO -0.01 -0.24 1.39 -1.21 0.02 0.00 0.00 175.26 175.21 1b8t s GLU 94 N -2.63 0.01 0.00 1.61 2.02 -1.26 -5.19 118.70 113.27 1b8t s GLU 94 Ca 0.11 -0.00 0.00 0.00 0.02 0.00 0.00 54.97 55.10 1b8t s GLU 94 Cb 0.01 0.01 0.00 0.00 0.10 0.00 0.00 34.13 34.25 1b8t s GLU 94 CO -0.04 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.65 1b8t n GLY 95 N 0.20 0.88 3.64 -1.39 0.00 -1.26 -5.19 105.19 102.07 1b8t n GLY 95 Ca 0.04 -0.69 -0.02 0.00 0.00 0.00 0.00 46.02 45.34 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 0.08 0.04 1.61 0.74 -1.26 -5.19 119.66 113.68 1b8t s GLN 96 Ca 0.00 0.03 -0.29 0.00 0.05 0.00 0.00 55.36 55.16 1b8t s GLN 96 Cb 0.00 0.04 0.10 0.00 1.10 0.00 0.00 33.01 34.25 1b8t s GLN 96 CO 0.00 -0.02 1.19 0.45 -0.55 0.00 0.00 175.29 176.36 1b8t s SER 97 N -0.80 -0.09 0.27 6.67 0.15 -1.26 -5.19 113.70 113.44 1b8t s SER 97 Ca 0.08 -0.22 -0.06 0.00 0.70 0.00 0.00 55.95 56.45 1b8t s SER 97 Cb -0.02 0.26 -0.01 0.00 -1.71 0.00 0.00 66.02 64.54 1b8t s SER 97 CO -0.09 -0.49 0.40 -2.28 1.20 0.00 0.00 173.24 171.98 1b8t s HIS 98 N -2.69 0.81 -0.34 3.44 2.46 -1.26 -5.14 115.29 112.57 1b8t s HIS 98 Ca 0.14 -1.08 0.03 0.00 0.47 0.00 0.00 55.06 54.61 1b8t s HIS 98 Cb 0.03 -0.09 0.16 0.00 -0.13 0.00 0.00 32.58 32.55 1b8t s HIS 98 CO -0.02 -0.96 0.42 1.03 -2.47 0.00 0.00 174.74 172.74 1b8t s ARG 99 N -3.71 0.55 1.09 2.88 0.52 -1.26 -5.15 118.95 113.87 1b8t s ARG 99 Ca 0.29 -0.32 -0.18 0.00 -0.52 0.00 0.00 55.73 55.00 1b8t s ARG 99 Cb 0.01 -0.42 0.25 0.00 0.52 0.00 0.00 34.95 35.30 1b8t s ARG 99 CO 0.14 -1.12 1.22 -1.25 0.02 0.00 0.00 175.30 174.31 1b8t s PRO 100 N 2.01 -0.34 0.04 3.54 0.04 -1.26 -5.10 135.00 133.93 1b8t s PRO 100 Ca 0.13 -0.26 -0.14 0.00 0.04 0.00 0.00 61.00 60.77 1b8t s PRO 100 Cb -0.12 -1.72 0.02 0.00 0.04 0.00 0.00 34.50 32.72 1b8t s PRO 100 CO -0.17 -3.09 0.30 0.99 0.04 0.00 0.00 177.00 175.07 1b8t s THR 101 N -3.46 0.08 -0.22 1.26 2.01 -1.26 -5.17 115.64 108.89 1b8t s THR 101 Ca 0.73 -0.67 -0.14 0.00 0.31 0.00 0.00 61.69 61.92 1b8t s THR 101 Cb -0.06 -0.90 0.06 0.00 0.01 0.00 0.00 72.50 71.61 1b8t s THR 101 CO 0.54 -0.37 0.55 0.21 -0.69 0.00 0.00 174.62 174.86 1b8t s ASN 102 N -1.99 -0.68 1.09 3.53 3.84 -1.26 -5.17 114.94 114.29 1b8t s ASN 102 Ca -0.06 1.17 -0.18 0.00 0.21 0.00 0.00 52.86 54.00 1b8t s ASN 102 Cb -0.01 1.08 0.25 0.00 -0.55 0.00 0.00 41.25 42.02 1b8t s ASN 102 CO -0.03 -0.21 1.22 -2.16 -2.79 0.00 0.00 177.10 173.14 1b8t s PRO 103 N 1.19 -0.33 0.20 0.43 0.04 -1.26 -5.10 135.00 130.17 1b8t s PRO 103 Ca -0.07 -0.26 -0.16 0.00 0.04 0.00 0.00 61.00 60.55 1b8t s PRO 103 Cb -0.06 -1.72 0.02 0.00 0.04 0.00 0.00 34.50 32.78 1b8t s PRO 103 CO -0.12 -3.08 0.48 1.21 0.04 0.00 0.00 177.00 175.54 1b8t s ASN 104 N -4.42 -0.18 0.33 6.66 3.84 -1.26 -5.18 114.94 114.72 1b8t s ASN 104 Ca 0.73 -0.61 -0.15 0.00 0.21 0.00 0.00 52.86 53.04 1b8t s ASN 104 Cb -0.06 0.56 0.03 0.00 -0.55 0.00 0.00 41.25 41.23 1b8t s ASN 104 CO 0.54 -1.05 0.68 0.00 -2.79 0.00 0.00 177.10 174.48 1b8t s ALA 105 N -3.91 -0.57 0.03 1.71 0.00 -1.26 -5.19 121.76 112.57 1b8t s ALA 105 Ca 0.12 -0.76 -0.29 0.00 0.00 0.00 0.00 51.96 51.03 1b8t s ALA 105 Cb -0.00 0.86 0.10 0.00 0.00 0.00 0.00 23.12 24.07 1b8t s ALA 105 CO -0.00 -0.95 1.15 0.45 0.00 0.00 0.00 175.76 176.40 1b8t s SER 106 N -3.04 -0.12 0.12 0.00 0.15 -1.26 -5.19 113.70 104.36 1b8t s SER 106 Ca 0.17 -0.22 -0.26 0.00 0.70 0.00 0.00 55.95 56.35 1b8t s SER 106 Cb -0.04 0.29 0.07 0.00 -1.71 0.00 0.00 66.02 64.63 1b8t s SER 106 CO 0.11 -0.52 0.90 0.00 1.20 0.00 0.00 173.24 174.93 1b8t s ARG 107 N -2.76 1.14 0.20 5.44 1.70 -1.26 -5.19 118.95 118.23 1b8t s ARG 107 Ca 0.13 -0.58 -0.10 0.00 -0.47 0.00 0.00 55.73 54.72 1b8t s ARG 107 Cb 0.02 0.43 -0.01 0.00 -0.57 0.00 0.00 34.95 34.82 1b8t s ARG 107 CO -0.02 -0.52 0.35 -1.64 -1.08 0.00 0.00 175.30 172.39 1b8t s MET 108 N -3.31 1.32 0.22 3.89 -1.94 -1.26 -5.18 119.30 113.04 1b8t s MET 108 Ca 0.10 -1.26 -0.22 0.00 -1.71 0.00 0.00 55.69 52.60 1b8t s MET 108 Cb -0.02 0.40 0.06 0.00 2.01 0.00 0.00 34.83 37.29 1b8t s MET 108 CO -0.01 -0.51 0.93 0.00 -0.01 0.00 0.00 175.02 175.42 1b8t s ALA 109 N -4.01 -1.42 0.23 3.03 0.00 -1.26 -5.19 121.76 113.14 1b8t s ALA 109 Ca 0.22 -0.23 -0.15 0.00 0.00 0.00 0.00 51.96 51.79 1b8t s ALA 109 Cb 0.02 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.86 1b8t s ALA 109 CO 0.05 -1.04 0.52 -0.65 0.00 0.00 0.00 175.76 174.64 1b8t s GLN 110 N -2.82 1.51 0.35 0.00 -1.52 -1.26 -5.18 119.66 110.74 1b8t s GLN 110 Ca 0.16 -1.08 -0.17 0.00 -1.95 0.00 0.00 55.36 52.32 1b8t s GLN 110 Cb -0.03 0.50 0.04 0.00 -0.22 0.00 0.00 33.01 33.30 1b8t s GLN 110 CO 0.05 -0.64 0.74 0.21 -0.25 0.00 0.00 175.29 175.41 1b8t s LYS 111 N -3.95 2.06 -0.21 2.91 2.20 -1.26 -5.18 119.74 116.31 1b8t s LYS 111 Ca 0.16 -1.31 -0.27 0.00 -0.36 0.00 0.00 55.97 54.19 1b8t s LYS 111 Cb -0.01 0.61 0.09 0.00 -1.51 0.00 0.00 37.83 37.00 1b8t s LYS 111 CO 0.04 -0.95 0.80 0.54 -0.36 0.00 0.00 175.35 175.42 1b8t s VAL 112 N -2.89 0.00 0.00 4.02 0.11 -1.26 -5.18 120.40 115.20 1b8t s VAL 112 Ca 0.15 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.20 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 0.10 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.48 1b8t n GLY 113 N 1.98 0.43 2.06 6.54 0.00 -1.26 -5.14 105.19 109.80 1b8t n GLY 113 Ca -0.15 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 43.95 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 5.00 2.96 3.81 -0.02 0.00 -1.26 -5.19 105.19 110.49 1b8t n GLY 114 Ca 0.00 -1.68 -0.05 0.00 0.00 0.00 0.00 46.02 44.29 1b8t n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b8t s SER 115 N -2.42 -0.16 -0.02 1.61 0.01 -1.26 -4.80 113.70 106.66 1b8t s SER 115 Ca 0.22 -0.57 -0.29 0.00 1.31 0.00 0.00 55.95 56.62 1b8t s SER 115 Cb 0.00 0.59 0.10 0.00 0.21 0.00 0.00 66.02 66.93 1b8t s SER 115 CO 0.16 -1.12 1.30 -1.81 0.41 0.00 0.00 173.24 172.18 1b8t s ASP 116 N -3.01 -0.00 0.45 2.44 1.01 -0.70 -5.05 116.67 111.81 1b8t s ASP 116 Ca 0.13 -0.17 0.08 0.00 0.71 0.00 0.00 52.55 53.30 1b8t s ASP 116 Cb -0.03 0.13 0.02 0.00 1.01 0.00 0.00 42.92 44.06 1b8t s ASP 116 CO 0.05 -0.26 0.61 -0.83 0.21 0.00 0.00 175.17 174.94 1b8t s GLY 117 N -3.66 1.92 -0.43 0.21 0.00 -1.26 0.87 107.32 104.97 1b8t s GLY 117 Ca 0.27 -1.76 -0.16 0.00 0.00 0.00 0.00 44.72 43.06 1b8t s GLY 117 CO -0.02 -1.53 0.40 0.00 0.00 0.00 0.00 173.10 171.95 1b8t n PRO 119 N 5.42 0.70 -0.01 0.00 -0.04 -1.26 0.32 135.00 140.13 1b8t n PRO 119 Ca -0.09 0.01 -0.01 0.00 -0.04 0.00 0.00 63.50 63.37 1b8t n PRO 119 Cb 0.46 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.03 0.04 0.11 0.54 3.00 -1.26 -4.64 116.66 113.42 1b8t n ARG 120 Ca 0.17 0.23 -0.19 0.00 -0.00 0.00 0.00 57.85 58.06 1b8t n ARG 120 Cb 0.09 -0.79 -0.13 0.00 0.00 0.00 0.00 32.46 31.63 1b8t n ARG 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1b8t n GLY 122 N 1.50 1.40 3.53 0.00 0.00 0.15 -5.08 105.19 106.70 1b8t n GLY 122 Ca -0.11 0.00 -0.33 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 -0.34 2.80 0.70 1.61 -0.21 -1.16 -4.80 119.66 118.26 1b8t s GLN 123 Ca 0.00 -0.60 -0.16 0.00 0.02 0.00 0.00 55.36 54.62 1b8t s GLN 123 Cb 0.00 -2.56 -0.05 0.00 1.00 0.00 0.00 33.01 31.40 1b8t s GLN 123 CO 0.00 0.58 0.51 0.00 -2.12 0.00 0.00 175.29 174.27 1b8t n ALA 124 N 2.45 -1.50 -3.77 6.09 0.00 -1.26 0.33 120.51 122.85 1b8t n ALA 124 Ca -0.18 -0.21 -0.25 0.00 0.00 0.00 0.00 53.44 52.80 1b8t n ALA 124 Cb 0.53 -1.84 -0.17 0.00 0.00 0.00 0.00 19.45 17.97 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 -1.88 0.49 0.00 0.00 1.01 0.25 -4.59 120.40 115.68 1b8t s VAL 125 Ca 0.66 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1b8t s VAL 125 Cb -0.36 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.25 1b8t s VAL 125 CO 0.58 0.09 0.00 0.00 0.00 0.00 0.00 175.10 175.77 1b8t n TYR 126 N 5.09 0.00 -1.47 5.22 4.11 -1.26 -1.72 117.16 127.12 1b8t n TYR 126 Ca -0.08 0.00 -0.50 0.00 -0.00 0.00 0.00 57.90 57.31 1b8t n TYR 126 Cb 0.49 0.00 -0.04 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 -2.44 -1.25 -3.48 0.00 -1.26 -3.95 120.51 105.13 1b8t n ALA 127 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1b8t n ALA 127 Cb 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 0.65 -2.15 -3.49 0.00 0.00 -1.26 -4.78 120.51 109.48 1b8t n ALA 128 Ca 0.17 0.33 -0.21 0.00 0.00 0.00 0.00 53.44 53.74 1b8t n ALA 128 Cb 0.21 -1.17 0.08 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.20 -7.23 -3.70 0.00 2.13 -1.26 -4.98 120.64 105.40 1b8t n GLU 129 Ca 0.00 0.80 -0.30 0.00 0.66 0.00 0.00 57.16 58.32 1b8t n GLU 129 Cb 0.00 -5.72 -0.15 0.00 0.27 0.00 0.00 31.44 25.84 1b8t n GLU 129 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1b8t s LYS 130 N -5.97 0.72 0.31 5.31 2.20 -1.25 -4.28 119.74 116.78 1b8t s LYS 130 Ca 0.39 -1.15 -0.09 0.00 -0.36 0.00 0.00 55.97 54.76 1b8t s LYS 130 Cb -0.17 -1.92 -0.07 0.00 -1.51 0.00 0.00 37.83 34.16 1b8t s LYS 130 CO 0.69 -1.02 0.64 0.54 -0.36 0.00 0.00 175.35 175.84 1b8t s VAL 131 N 1.48 4.88 -0.15 4.02 0.11 0.14 -4.91 120.40 125.98 1b8t s VAL 131 Ca 0.11 0.46 -0.01 0.00 -2.93 0.00 0.00 61.98 59.61 1b8t s VAL 131 Cb -0.18 -3.68 0.04 0.00 -1.53 0.00 0.00 36.38 31.03 1b8t s VAL 131 CO -0.22 -0.29 -0.02 -0.63 -3.33 0.00 0.00 175.10 170.61 1b8t s ILE 132 N -2.08 0.79 0.03 7.04 1.01 -1.26 -1.16 121.20 125.57 1b8t s ILE 132 Ca 0.48 -0.41 -0.13 0.00 0.00 0.00 0.00 60.65 60.59 1b8t s ILE 132 Cb -0.11 -1.03 0.02 0.00 0.01 0.00 0.00 42.46 41.35 1b8t s ILE 132 CO 0.26 0.09 0.29 -0.83 0.00 0.00 0.00 174.94 174.76 1b8t s GLY 133 N 1.77 -0.11 -1.53 6.18 0.00 0.58 -4.74 107.32 109.47 1b8t s GLY 133 Ca 0.02 0.04 -0.08 0.00 0.00 0.00 0.00 44.72 44.70 1b8t s GLY 133 CO -0.07 -0.17 0.59 0.00 0.00 0.00 0.00 173.10 173.45 1b8t n ALA 134 N 0.74 -1.68 -4.02 3.20 0.00 -1.26 0.26 120.51 117.76 1b8t n ALA 134 Ca -0.19 -0.14 -0.31 0.00 0.00 0.00 0.00 53.44 52.80 1b8t n ALA 134 Cb 0.59 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.59 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 -1.76 -0.42 3.40 0.00 0.00 -1.26 -4.70 105.19 100.44 1b8t n GLY 135 Ca -0.14 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 -6.67 1.27 -0.03 1.61 1.02 0.14 -5.13 119.74 111.95 1b8t s LYS 136 Ca 0.54 -1.22 0.06 0.00 0.02 0.00 0.00 55.97 55.37 1b8t s LYS 136 Cb -0.28 0.40 -0.01 0.00 -0.52 0.00 0.00 37.83 37.42 1b8t s LYS 136 CO 0.87 -0.48 -0.20 -1.12 -0.92 0.00 0.00 175.35 173.50 1b8t s SER 137 N -2.99 2.46 0.32 2.83 0.01 -1.26 -0.31 113.70 114.76 1b8t s SER 137 Ca 0.20 -0.39 -0.17 0.00 1.31 0.00 0.00 55.95 56.89 1b8t s SER 137 Cb 0.02 -0.48 0.03 0.00 0.21 0.00 0.00 66.02 65.80 1b8t s SER 137 CO 0.03 0.22 0.71 -1.66 0.41 0.00 0.00 173.24 172.95 1b8t s TRP 138 N -0.26 0.04 0.07 2.43 -2.14 -0.31 -4.24 118.94 114.53 1b8t s TRP 138 Ca 0.02 -0.56 -0.30 0.00 2.66 0.00 0.00 56.10 57.91 1b8t s TRP 138 Cb -0.10 0.66 -0.06 0.00 -3.10 0.00 0.00 33.47 30.88 1b8t s TRP 138 CO 0.01 -1.33 1.18 -1.01 -2.66 0.00 0.00 176.95 173.13 1b8t s HIS 139 N -3.30 3.46 -0.26 1.66 3.76 -1.26 0.26 115.29 119.62 1b8t s HIS 139 Ca 0.15 1.35 0.20 0.00 -0.15 0.00 0.00 55.06 56.61 1b8t s HIS 139 Cb -0.05 -3.39 1.10 0.00 1.11 0.00 0.00 32.58 31.35 1b8t s HIS 139 CO 0.10 -1.13 1.63 0.36 -0.85 0.00 0.00 174.74 174.84 1b8t n LYS 140 N 3.81 0.13 -0.07 1.40 2.85 -1.26 0.46 118.16 125.48 1b8t n LYS 140 Ca 0.08 0.62 -0.14 0.00 -1.05 0.00 0.00 58.31 57.82 1b8t n LYS 140 Cb 0.47 -1.93 -0.12 0.00 -0.65 0.00 0.00 35.03 32.80 1b8t n LYS 140 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1b8t h SER 141 N 0.00 0.00 0.34 -5.58 0.87 -1.89 -3.40 113.55 103.90 1b8t h SER 141 Ca 0.00 -0.84 -0.02 0.00 -1.23 0.00 0.00 61.79 59.70 1b8t h SER 141 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1b8t h SER 141 CO 0.00 1.05 -0.17 0.00 -0.53 0.00 0.00 176.83 177.19 1b8t n PHE 143 N -5.08 0.54 -3.74 0.00 7.35 0.17 -4.86 117.46 111.85 1b8t n PHE 143 Ca -0.06 0.36 -0.13 0.00 -0.76 0.00 0.00 57.45 56.86 1b8t n PHE 143 Cb 0.20 -1.47 -0.09 0.00 0.35 0.00 0.00 39.48 38.48 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 4.69 0.59 -0.10 -4.13 1.70 -1.26 -1.43 118.95 119.00 1b8t s ARG 144 Ca 0.80 0.15 -0.41 0.00 -0.47 0.00 0.00 55.73 55.81 1b8t s ARG 144 Cb -0.87 0.27 -0.19 0.00 -0.57 0.00 0.00 34.95 33.59 1b8t s ARG 144 CO 0.36 -0.13 1.30 0.00 -1.08 0.00 0.00 175.30 175.75 1b8t n ALA 146 N 2.57 4.33 0.00 0.00 0.00 -0.51 -0.15 120.51 126.75 1b8t n ALA 146 Ca 0.22 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.32 1b8t n ALA 146 Cb 0.08 -1.25 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 1.63 0.00 0.00 0.00 177.50 179.13 1b8t n LYS 147 N 0.08 0.00 -0.01 0.00 5.02 -1.26 -4.87 118.16 117.12 1b8t n LYS 147 Ca 0.26 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.59 1b8t n LYS 147 Cb 0.82 -0.30 -0.08 0.00 -0.02 0.00 0.00 35.03 35.45 1b8t n LYS 147 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1b8t n GLY 149 N 1.97 0.49 3.64 0.00 0.00 0.79 -5.01 105.19 107.07 1b8t n GLY 149 Ca -0.04 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.56 4.09 0.39 1.61 2.36 -1.24 -4.62 119.74 120.77 1b8t s LYS 150 Ca 0.00 1.03 -0.27 0.00 -2.55 0.00 0.00 55.97 54.18 1b8t s LYS 150 Cb 0.00 -3.71 -0.11 0.00 -1.05 0.00 0.00 37.83 32.96 1b8t s LYS 150 CO 0.00 -0.78 1.35 -1.13 1.55 0.00 0.00 175.35 176.34 1b8t n SER 151 N 6.57 3.01 -3.43 1.43 3.41 -1.26 -0.03 113.62 123.32 1b8t n SER 151 Ca 0.10 1.17 -0.15 0.00 -0.26 0.00 0.00 58.87 59.73 1b8t n SER 151 Cb 0.47 -1.54 -0.01 0.00 -0.26 0.00 0.00 64.21 62.87 1b8t n SER 151 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1b8t n LEU 152 N 0.41 0.00 -2.68 1.04 4.77 -0.52 -4.82 117.00 115.20 1b8t n LEU 152 Ca 0.04 -1.55 -0.04 0.00 -0.03 0.00 0.00 56.01 54.43 1b8t n LEU 152 Cb 0.38 0.07 0.08 0.00 -2.33 0.00 0.00 43.42 41.62 1b8t n LEU 152 CO 0.61 -0.34 0.63 1.21 -1.33 0.00 0.00 177.39 178.17 1b8t n GLU 153 N -0.94 0.39 -3.40 3.23 0.00 -1.26 -4.81 120.64 113.85 1b8t n GLU 153 Ca -0.05 -1.00 -0.38 0.00 0.00 0.00 0.00 57.16 55.73 1b8t n GLU 153 Cb 0.33 -0.26 0.04 0.00 0.00 0.00 0.00 31.44 31.54 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 0.14 -5.17 0.23 4.31 7.64 -1.26 -4.85 113.62 114.66 1b8t n SER 154 Ca -0.09 -0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.62 1b8t n SER 154 Cb 0.73 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 1b8t n SER 154 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1b8t n THR 155 N -0.21 0.00 -2.69 0.44 -1.04 -1.26 -4.99 114.28 104.53 1b8t n THR 155 Ca -0.09 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.84 1b8t n THR 155 Cb 0.65 -0.07 0.03 0.00 -1.82 0.00 0.00 70.33 69.13 1b8t n THR 155 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1b8t n THR 156 N -3.46 1.07 -3.14 12.58 5.66 -1.26 -5.10 114.28 120.62 1b8t n THR 156 Ca 0.00 -3.06 -0.19 0.00 -3.05 0.00 0.00 64.05 57.74 1b8t n THR 156 Cb 0.00 0.74 0.03 0.00 -1.55 0.00 0.00 70.33 69.55 1b8t n THR 156 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1b8t s LEU 157 N -3.25 3.27 0.06 1.09 0.05 -1.26 -0.89 118.68 117.76 1b8t s LEU 157 Ca 0.27 -0.74 0.03 0.00 0.05 0.00 0.00 54.13 53.74 1b8t s LEU 157 Cb 0.43 -1.96 -0.03 0.00 -2.05 0.00 0.00 46.19 42.59 1b8t s LEU 157 CO 0.02 -1.08 -0.08 0.00 -0.55 0.00 0.00 176.35 174.66 1b8t s ALA 158 N -2.56 0.76 -0.27 1.48 0.00 0.11 -4.59 121.76 116.69 1b8t s ALA 158 Ca 0.56 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.58 1b8t s ALA 158 Cb -0.07 0.05 0.08 0.00 0.00 0.00 0.00 23.12 23.19 1b8t s ALA 158 CO 0.35 -0.05 0.02 0.16 0.00 0.00 0.00 175.76 176.24 1b8t s ASP 159 N -1.98 4.00 -0.65 0.00 1.47 -1.26 -1.11 116.67 117.13 1b8t s ASP 159 Ca -0.03 -1.47 -0.14 0.00 1.18 0.00 0.00 52.55 52.09 1b8t s ASP 159 Cb -0.06 -1.12 0.17 0.00 -0.34 0.00 0.00 42.92 41.57 1b8t s ASP 159 CO -0.01 -0.32 0.59 -0.75 0.68 0.00 0.00 175.17 175.36 1b8t s LYS 160 N 1.41 3.16 -1.00 2.11 2.36 0.65 -4.67 119.74 123.76 1b8t s LYS 160 Ca 0.03 -2.07 -0.18 0.00 -2.55 0.00 0.00 55.97 51.20 1b8t s LYS 160 Cb -0.18 -4.28 0.02 0.00 -1.05 0.00 0.00 37.83 32.34 1b8t s LYS 160 CO -0.12 -1.29 0.62 -0.25 1.55 0.00 0.00 175.35 175.86 1b8t n ASP 161 N 4.60 -4.30 0.00 1.43 8.00 -1.26 0.02 116.55 125.03 1b8t n ASP 161 Ca -0.01 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.37 1b8t n ASP 161 Cb 0.43 -1.54 0.00 0.00 -0.02 0.00 0.00 41.12 39.99 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 -1.85 2.39 3.48 0.44 0.00 -1.26 -5.00 105.19 103.38 1b8t n GLY 162 Ca -0.21 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 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 0.03 -4.23 1.61 4.71 0.10 -4.86 120.64 118.00 1b8t n GLU 163 Ca 0.00 0.06 -0.20 0.00 -0.01 0.00 0.00 57.16 57.01 1b8t n GLU 163 Cb 0.00 -1.93 -0.16 0.00 -1.01 0.00 0.00 31.44 28.34 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 -2.15 0.59 0.16 -3.67 -4.36 -1.26 -0.25 121.20 110.25 1b8t s ILE 164 Ca 0.63 -0.19 0.02 0.00 -0.26 0.00 0.00 60.65 60.84 1b8t s ILE 164 Cb -0.28 -0.58 -0.01 0.00 1.25 0.00 0.00 42.46 42.84 1b8t s ILE 164 CO 0.61 0.22 0.16 -1.22 0.24 0.00 0.00 174.94 174.96 1b8t n TYR 165 N 3.75 -0.56 -3.78 1.37 4.01 -0.27 -1.43 117.16 120.25 1b8t n TYR 165 Ca -0.23 -1.21 -0.29 0.00 -0.16 0.00 0.00 57.90 56.01 1b8t n TYR 165 Cb 0.52 0.18 -0.04 0.00 -0.31 0.00 0.00 39.34 39.69 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 2.56 0.26 -0.18 0.00 1.63 -1.26 1.59 116.57 121.17 1b8t h LYS 167 Ca -0.47 -0.02 0.05 0.00 -0.85 0.00 0.00 60.65 59.37 1b8t h LYS 167 Cb 1.17 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.74 1b8t h LYS 167 CO 0.72 0.17 0.13 0.78 -3.45 0.00 0.00 179.45 177.80 1b8t h GLY 168 N 0.27 0.00 0.32 5.01 0.00 -1.94 0.42 103.07 107.15 1b8t h GLY 168 Ca 0.54 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.77 1b8t h GLY 168 CO -0.60 0.00 -0.48 0.00 0.00 0.00 0.00 176.54 175.46 1b8t h TYR 170 N -0.70 0.41 0.03 0.00 3.20 0.27 0.42 116.97 120.60 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 1.32 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.46 1b8t h TYR 170 CO 0.23 0.24 -0.01 0.00 -1.64 0.00 0.00 178.16 176.98 1b8t h ALA 171 N 1.77 -0.05 -0.20 1.82 0.00 -0.27 -3.18 119.26 119.15 1b8t h ALA 171 Ca 0.16 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1b8t h ALA 171 Cb 0.11 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1b8t h ALA 171 CO -0.04 -0.05 -0.51 0.87 0.00 0.00 0.00 179.25 179.53 1b8t h LYS 172 N -0.81 -0.48 -1.17 0.00 1.57 -1.07 0.52 116.57 115.13 1b8t h LYS 172 Ca -0.00 0.03 0.45 0.00 -1.87 0.00 0.00 60.65 59.26 1b8t h LYS 172 Cb 0.03 0.11 -0.16 0.00 0.08 0.00 0.00 32.23 32.29 1b8t h LYS 172 CO 0.01 -0.32 0.69 -1.71 -0.57 0.00 0.00 179.45 177.55 1b8t n ASN 173 N -5.22 0.29 -2.89 0.86 2.85 0.15 0.02 115.26 111.33 1b8t n ASN 173 Ca -0.05 1.55 -0.25 0.00 -0.11 0.00 0.00 54.58 55.71 1b8t n ASN 173 Cb 0.34 -0.76 -0.03 0.00 1.24 0.00 0.00 39.78 40.58 1b8t n ASN 173 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1b8t n PHE 174 N -5.03 3.44 -3.84 1.20 3.72 0.15 -4.95 117.46 112.15 1b8t n PHE 174 Ca 0.39 -3.80 -0.29 0.00 -0.05 0.00 0.00 57.45 53.70 1b8t n PHE 174 Cb 1.42 -0.41 -0.12 0.00 -0.94 0.00 0.00 39.48 39.42 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 -3.36 2.51 -0.00 1.37 0.00 0.10 -4.81 107.32 103.13 1b8t s GLY 175 Ca 0.47 -3.43 -0.30 0.00 0.00 0.00 0.00 44.72 41.46 1b8t s GLY 175 CO -0.14 1.22 1.20 2.56 0.00 0.00 0.00 173.10 177.94 1b8t s PRO 176 N -0.84 4.39 0.08 2.90 0.04 -1.26 -4.98 135.00 135.34 1b8t s PRO 176 Ca 0.23 1.71 0.04 0.00 0.04 0.00 0.00 61.00 63.02 1b8t s PRO 176 Cb -0.11 -3.47 -0.04 0.00 0.04 0.00 0.00 34.50 30.92 1b8t s PRO 176 CO -0.11 -0.36 0.05 0.15 0.04 0.00 0.00 177.00 176.77 1b8t s LYS 177 N 1.71 2.78 0.14 4.56 3.01 -1.26 -5.11 119.74 125.57 1b8t s LYS 177 Ca 0.57 -0.73 -0.03 0.00 -1.01 0.00 0.00 55.97 54.77 1b8t s LYS 177 Cb -0.27 -2.67 0.01 0.00 -1.01 0.00 0.00 37.83 33.89 1b8t s LYS 177 CO 0.25 0.56 0.23 0.41 0.51 0.00 0.00 175.35 177.31 1b8t n GLY 178 N 0.50 2.30 3.70 -3.33 0.00 -1.26 -5.18 105.19 101.92 1b8t n GLY 178 Ca -0.09 -1.32 -0.24 0.00 0.00 0.00 0.00 46.02 44.37 1b8t n GLY 178 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b8t s PHE 179 N -5.12 2.86 -1.09 1.61 0.08 -1.26 -5.07 117.98 109.99 1b8t s PHE 179 Ca 0.09 -0.16 -0.09 0.00 0.12 0.00 0.00 56.93 56.89 1b8t s PHE 179 Cb -0.01 -1.31 0.27 0.00 -0.57 0.00 0.00 43.02 41.40 1b8t s PHE 179 CO 0.07 0.56 1.09 0.20 -0.10 0.00 0.00 175.22 177.03 1b8t s GLY 180 N -3.50 3.21 -0.19 4.36 0.00 -1.26 -5.01 107.32 104.93 1b8t s GLY 180 Ca 0.31 -3.83 -0.05 0.00 0.00 0.00 0.00 44.72 41.15 1b8t s GLY 180 CO 0.21 1.32 -0.01 -0.12 0.00 0.00 0.00 173.10 174.50 1b8t s PHE 181 N -1.22 3.03 0.00 1.90 5.36 -1.26 -4.99 117.98 120.80 1b8t s PHE 181 Ca 0.30 -0.43 0.00 0.00 -0.96 0.00 0.00 56.93 55.84 1b8t s PHE 181 Cb -0.10 -2.05 0.00 0.00 -0.34 0.00 0.00 43.02 40.53 1b8t s PHE 181 CO -0.08 -0.20 0.00 0.41 -1.46 0.00 0.00 175.22 173.89 1b8t n GLY 182 N 4.09 3.44 3.69 13.12 0.00 -1.26 -5.11 105.19 123.16 1b8t n GLY 182 Ca -0.17 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.77 4.34 -1.26 1.61 0.74 -1.26 -4.97 119.66 116.09 1b8t s GLN 183 Ca 0.00 0.91 -0.07 0.00 0.05 0.00 0.00 55.36 56.25 1b8t s GLN 183 Cb 0.00 -3.52 0.17 0.00 1.10 0.00 0.00 33.01 30.76 1b8t s GLN 183 CO 0.00 -0.16 2.06 0.41 -0.55 0.00 0.00 175.29 177.05 1b8t n GLY 184 N 3.37 5.10 2.91 2.59 0.00 -1.26 -4.64 105.19 113.27 1b8t n GLY 184 Ca 0.01 -2.17 -0.04 0.00 0.00 0.00 0.00 46.02 43.82 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 2.41 -2.32 -2.78 4.61 0.00 -1.26 -4.89 120.51 116.27 1b8t n ALA 185 Ca 0.49 0.04 -0.44 0.00 0.00 0.00 0.00 53.44 53.53 1b8t n ALA 185 Cb 0.30 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.16 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 -1.53 3.43 2.91 0.00 0.00 -1.26 -4.89 105.19 103.84 1b8t n GLY 186 Ca -0.02 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 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 5.93 5.13 0.28 4.61 0.00 -1.26 -4.71 120.51 130.48 1b8t n ALA 187 Ca 0.40 -3.88 -0.11 0.00 0.00 0.00 0.00 53.44 49.85 1b8t n ALA 187 Cb 0.42 -3.54 -0.05 0.00 0.00 0.00 0.00 19.45 16.28 1b8t n ALA 187 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1b8t h LEU 188 N 10.50 -0.62-10.54 0.00 3.38 -2.03 -3.46 115.31 112.55 1b8t h LEU 188 Ca 0.54 0.02 -0.45 0.00 0.09 0.00 0.00 57.88 58.08 1b8t h LEU 188 Cb 0.69 0.16 0.03 0.00 0.09 0.00 0.00 40.66 41.63 1b8t h LEU 188 CO 1.79 -0.35 -0.15 0.27 0.09 0.00 0.00 178.44 180.10 1b8t s ILE 189 N -4.17 2.59 0.86 1.22 -4.36 -1.26 -5.07 121.20 111.01 1b8t s ILE 189 Ca -0.11 -0.94 -0.13 0.00 -0.26 0.00 0.00 60.65 59.22 1b8t s ILE 189 Cb 0.01 -2.66 0.07 0.00 1.25 0.00 0.00 42.46 41.13 1b8t s ILE 189 CO 0.32 0.00 0.90 0.00 0.24 0.00 0.00 174.94 176.40 1b8t n HIS 190 N -2.11 0.23 -0.08 1.37 -0.00 -1.26 -4.98 115.22 108.38 1b8t n HIS 190 Ca 0.11 0.36 -0.09 0.00 -0.00 0.00 0.00 57.72 58.10 1b8t n HIS 190 Cb 0.60 -1.98 -0.03 0.00 -0.00 0.00 0.00 29.99 28.58 1b8t n HIS 190 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1b8t n SER 191 N -2.59 1.85 0.00 4.39 3.41 -1.26 -5.14 113.62 114.28 1b8t n SER 191 Ca 0.11 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 1b8t n SER 191 Cb 0.51 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 1b8t n SER 191 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55