#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 -2.05 -3.12 0.03 -0.04 -1.26 -5.08 135.00 123.49 1b8t n PRO 2 Ca 0.00 -1.73 -0.19 0.00 -0.04 0.00 0.00 63.50 61.54 1b8t n PRO 2 Cb 0.00 -1.36 0.01 0.00 -0.04 0.00 0.00 33.50 32.10 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 -4.82 5.73 0.65 3.54 -0.87 -1.26 -5.12 114.94 112.80 1b8t s ASN 3 Ca 0.67 -0.22 0.01 0.00 -1.57 0.00 0.00 52.86 51.75 1b8t s ASN 3 Cb -0.04 -0.97 0.10 0.00 -0.02 0.00 0.00 41.25 40.32 1b8t s ASN 3 CO 0.49 -0.69 0.91 0.86 -2.57 0.00 0.00 177.10 176.09 1b8t s TRP 4 N -2.36 1.87 0.00 2.20 -0.11 -1.26 -5.12 118.94 114.16 1b8t s TRP 4 Ca 0.51 -0.29 0.00 0.00 1.22 0.00 0.00 56.10 57.55 1b8t s TRP 4 Cb -0.10 -2.81 0.00 0.00 -1.50 0.00 0.00 33.47 29.06 1b8t s TRP 4 CO 0.33 -1.41 0.00 0.41 -4.62 0.00 0.00 176.95 171.66 1b8t n GLY 5 N -2.61 3.20 0.00 5.86 0.00 -1.26 -5.17 105.19 105.21 1b8t n GLY 5 Ca 0.13 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1b8t n GLY 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b8t n GLY 6 N 5.00 4.45 0.00 -0.02 0.00 -1.26 -5.17 105.19 108.18 1b8t n GLY 6 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 5.00 5.43 4.01 -0.02 0.00 -1.26 -4.94 105.19 113.41 1b8t n GLY 7 Ca 0.00 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 45.00 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 4.79 2.26 -0.02 1.61 -0.14 0.20 -4.95 119.74 123.48 1b8t s LYS 8 Ca 0.00 -1.75 0.02 0.00 -1.36 0.00 0.00 55.97 52.88 1b8t s LYS 8 Cb 0.00 -2.53 0.00 0.00 -1.68 0.00 0.00 37.83 33.63 1b8t s LYS 8 CO 0.00 -0.86 -0.07 -1.59 -0.76 0.00 0.00 175.35 172.07 1b8t s LYS 9 N -4.61 0.73 -0.47 1.68 0.00 -1.26 -0.62 119.74 115.19 1b8t s LYS 9 Ca 0.56 -0.23 -0.22 0.00 0.00 0.00 0.00 55.97 56.08 1b8t s LYS 9 Cb -0.05 -0.71 0.03 0.00 0.00 0.00 0.00 37.83 37.11 1b8t s LYS 9 CO 0.36 0.09 0.75 0.00 0.00 0.00 0.00 175.35 176.55 1b8t n GLY 11 N 5.04 -0.97 0.02 0.00 0.00 -1.25 -0.15 105.19 107.88 1b8t n GLY 11 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.75 0.43 0.11 1.61 0.31 -1.26 -4.60 118.33 114.18 1b8t n VAL 12 Ca 0.12 0.40 -0.01 0.00 -0.01 0.00 0.00 64.34 64.83 1b8t n VAL 12 Cb 0.05 -1.75 -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 -3.34 0.00 -4.37 0.00 7.27 0.78 -5.07 117.38 112.65 1b8t n GLN 14 Ca 0.01 0.05 -0.29 0.00 0.07 0.00 0.00 57.00 56.85 1b8t n GLN 14 Cb 0.80 -2.41 -0.12 0.00 2.41 0.00 0.00 30.24 30.92 1b8t n GLN 14 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1b8t s LYS 15 N -2.74 1.51 0.72 3.69 1.02 -1.12 -4.89 119.74 117.94 1b8t s LYS 15 Ca 0.00 -1.34 -0.15 0.00 0.02 0.00 0.00 55.97 54.50 1b8t s LYS 15 Cb 0.00 -1.94 0.04 0.00 -0.52 0.00 0.00 37.83 35.40 1b8t s LYS 15 CO 0.00 0.45 1.18 0.00 -0.92 0.00 0.00 175.35 176.06 1b8t s ALA 16 N -1.19 2.17 0.03 5.17 0.00 -1.26 -0.03 121.76 126.64 1b8t s ALA 16 Ca 0.16 0.78 0.04 0.00 0.00 0.00 0.00 51.96 52.94 1b8t s ALA 16 Cb -0.10 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 1b8t s ALA 16 CO 0.08 -1.78 -0.11 0.08 0.00 0.00 0.00 175.76 174.03 1b8t s VAL 17 N -2.11 0.84 0.97 0.00 1.01 0.21 -4.71 120.40 116.62 1b8t s VAL 17 Ca 0.72 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 61.73 1b8t s VAL 17 Cb -0.27 -0.77 0.22 0.00 0.00 0.00 0.00 36.38 35.56 1b8t s VAL 17 CO 0.45 -0.03 1.33 -1.22 0.00 0.00 0.00 175.10 175.63 1b8t n TYR 18 N 2.11 -3.96 -3.03 5.22 4.01 -1.26 -0.63 117.16 119.62 1b8t n TYR 18 Ca -0.18 -1.20 -0.44 0.00 -0.16 0.00 0.00 57.90 55.92 1b8t n TYR 18 Cb 0.55 -1.02 0.00 0.00 -0.31 0.00 0.00 39.34 38.56 1b8t n TYR 18 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1b8t n PHE 19 N -3.81 4.70 0.00 -0.72 3.72 -1.26 -3.74 117.46 116.35 1b8t n PHE 19 Ca 0.17 -3.44 0.00 0.00 -0.05 0.00 0.00 57.45 54.12 1b8t n PHE 19 Cb 0.58 -1.94 0.00 0.00 -0.94 0.00 0.00 39.48 37.19 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 4.14 0.00 -0.19 4.37 0.00 -1.26 -4.95 120.51 122.62 1b8t n ALA 20 Ca 0.32 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.77 1b8t n ALA 20 Cb 0.40 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.11 1b8t n ALA 20 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1b8t h GLU 21 N 0.00 0.93 -5.76 0.00 4.11 -1.98 -3.43 114.58 108.44 1b8t h GLU 21 Ca 0.00 -0.06 -0.75 0.00 0.07 0.00 0.00 59.36 58.62 1b8t h GLU 21 Cb 0.00 -0.21 0.05 0.00 0.50 0.00 0.00 28.75 29.10 1b8t h GLU 21 CO 0.00 0.63 0.01 -1.91 0.07 0.00 0.00 179.01 177.81 1b8t n GLU 22 N -4.42 0.00 -4.06 1.06 2.13 -1.25 -3.96 120.64 110.14 1b8t n GLU 22 Ca 0.07 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.58 1b8t n GLU 22 Cb 0.04 -1.40 -0.16 0.00 0.27 0.00 0.00 31.44 30.19 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 -0.08 1.84 0.16 6.31 1.01 -0.14 -4.95 120.40 124.55 1b8t s VAL 23 Ca 0.85 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 1b8t s VAL 23 Cb -1.19 -1.74 -0.07 0.00 0.00 0.00 0.00 36.38 33.37 1b8t s VAL 23 CO 0.55 0.41 0.93 -1.58 0.00 0.00 0.00 175.10 175.41 1b8t s GLN 24 N 1.36 4.74 -0.02 2.72 0.74 -1.26 -0.52 119.66 127.41 1b8t s GLN 24 Ca 0.03 1.43 -0.02 0.00 0.05 0.00 0.00 55.36 56.85 1b8t s GLN 24 Cb -0.14 -3.33 0.01 0.00 1.10 0.00 0.00 33.01 30.64 1b8t s GLN 24 CO -0.11 0.35 0.06 0.00 -0.55 0.00 0.00 175.29 175.03 1b8t n GLU 26 N 3.11 0.17 0.00 0.00 1.02 -1.26 0.10 120.64 123.78 1b8t n GLU 26 Ca -0.13 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1b8t n GLU 26 Cb 0.59 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 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 6.94 3.32 3.82 0.62 0.00 -1.26 -4.74 105.19 113.90 1b8t n GLY 27 Ca 0.57 -0.89 -0.07 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.05 -0.12 1.61 0.01 0.12 -5.16 113.70 110.11 1b8t s SER 28 Ca 0.00 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.30 1b8t s SER 28 Cb 0.00 0.77 -0.02 0.00 0.21 0.00 0.00 66.02 66.98 1b8t s SER 28 CO 0.00 -1.51 -0.12 -0.94 0.41 0.00 0.00 173.24 171.08 1b8t s SER 29 N -3.08 4.10 0.34 2.44 1.04 -1.26 -0.49 113.70 116.78 1b8t s SER 29 Ca 0.15 -0.28 0.04 0.00 0.48 0.00 0.00 55.95 56.34 1b8t s SER 29 Cb -0.05 -1.48 -0.06 0.00 0.10 0.00 0.00 66.02 64.54 1b8t s SER 29 CO 0.09 0.20 0.06 -0.36 0.98 0.00 0.00 173.24 174.22 1b8t s PHE 30 N 0.12 1.98 1.23 5.02 0.08 0.32 -3.79 117.98 122.94 1b8t s PHE 30 Ca -0.06 -0.97 -0.16 0.00 0.12 0.00 0.00 56.93 55.86 1b8t s PHE 30 Cb -0.15 -1.31 0.28 0.00 -0.57 0.00 0.00 43.02 41.27 1b8t s PHE 30 CO 0.04 0.01 0.78 0.72 -0.10 0.00 0.00 175.22 176.68 1b8t n HIS 31 N -0.74 -1.81 -0.05 0.36 8.25 -1.26 -0.97 115.22 119.00 1b8t n HIS 31 Ca -0.03 -0.23 -0.14 0.00 -0.26 0.00 0.00 57.72 57.06 1b8t n HIS 31 Cb 0.66 -1.60 -0.08 0.00 1.12 0.00 0.00 29.99 30.10 1b8t n HIS 31 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1b8t h LYS 32 N -2.78 0.37 -0.14 -0.41 2.10 -1.93 -2.26 116.57 111.52 1b8t h LYS 32 Ca -0.58 -0.23 -0.17 0.00 -2.00 0.00 0.00 60.65 57.68 1b8t h LYS 32 Cb 1.33 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.68 1b8t h LYS 32 CO 0.43 0.82 -0.62 0.66 -2.00 0.00 0.00 179.45 178.74 1b8t h SER 33 N -0.04 0.54 -0.82 7.07 4.64 -1.93 -2.99 113.55 120.02 1b8t h SER 33 Ca 0.01 -0.31 0.05 0.00 -0.47 0.00 0.00 61.79 61.07 1b8t h SER 33 Cb 0.79 -0.16 -0.06 0.00 -0.31 0.00 0.00 62.40 62.67 1b8t h SER 33 CO 0.05 1.03 0.51 0.00 -0.87 0.00 0.00 176.83 177.54 1b8t n PHE 35 N -4.64 2.09 -4.06 0.00 -0.00 -0.85 -4.82 117.46 105.18 1b8t n PHE 35 Ca 0.11 -1.40 -0.17 0.00 -0.00 0.00 0.00 57.45 55.99 1b8t n PHE 35 Cb 0.16 -2.17 -0.15 0.00 -0.00 0.00 0.00 39.48 37.31 1b8t n PHE 35 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 1b8t s LEU 36 N 7.40 1.58 -0.35 -2.13 0.20 -1.24 -1.53 118.68 122.61 1b8t s LEU 36 Ca 0.66 -0.07 -0.38 0.00 0.69 0.00 0.00 54.13 55.03 1b8t s LEU 36 Cb 0.05 -0.26 -0.14 0.00 -0.43 0.00 0.00 46.19 45.41 1b8t s LEU 36 CO 0.15 -0.02 2.06 0.00 -0.29 0.00 0.00 176.35 178.25 1b8t n MET 38 N 7.31 0.98 -0.01 0.00 2.81 -0.55 -0.23 117.12 127.42 1b8t n MET 38 Ca 0.39 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 56.27 1b8t n MET 38 Cb 0.16 -1.02 -0.00 0.00 -0.71 0.00 0.00 33.22 31.65 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 -0.52 0.22 0.12 2.03 0.31 -1.26 -4.70 118.33 114.53 1b8t n VAL 39 Ca 0.01 0.35 -0.01 0.00 -0.01 0.00 0.00 64.34 64.68 1b8t n VAL 39 Cb 0.00 -1.49 0.02 0.00 -0.91 0.00 0.00 33.84 31.46 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 -3.34 0.00 -4.01 0.00 4.81 0.68 -5.06 118.16 111.23 1b8t n LYS 41 Ca 0.01 0.16 -0.35 0.00 -0.87 0.00 0.00 58.31 57.26 1b8t n LYS 41 Cb 0.78 -2.30 -0.10 0.00 0.02 0.00 0.00 35.03 33.43 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 -2.02 3.93 0.52 1.64 2.20 -1.17 -4.81 119.74 120.03 1b8t s LYS 42 Ca 0.00 -0.37 -0.22 0.00 -0.36 0.00 0.00 55.97 55.03 1b8t s LYS 42 Cb 0.00 -3.21 -0.07 0.00 -1.51 0.00 0.00 37.83 33.05 1b8t s LYS 42 CO 0.00 0.23 1.13 -1.71 -0.36 0.00 0.00 175.35 174.64 1b8t n ASN 43 N 3.66 1.68 -3.99 1.43 5.15 -1.26 0.31 115.26 122.24 1b8t n ASN 43 Ca -0.17 0.94 -0.30 0.00 -0.60 0.00 0.00 54.58 54.46 1b8t n ASN 43 Cb 0.52 -1.45 -0.16 0.00 -0.53 0.00 0.00 39.78 38.16 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 -2.08 2.10 -0.41 1.20 1.43 -0.58 -4.70 118.68 115.64 1b8t s LEU 44 Ca 0.70 -0.78 0.10 0.00 -1.03 0.00 0.00 54.13 53.12 1b8t s LEU 44 Cb -0.46 -1.19 0.33 0.00 0.03 0.00 0.00 46.19 44.90 1b8t s LEU 44 CO 0.51 -0.13 0.74 -0.90 0.23 0.00 0.00 176.35 176.80 1b8t n ASP 45 N 4.72 1.36 0.00 2.29 5.68 -1.26 -4.69 116.55 124.65 1b8t n ASP 45 Ca -0.15 -3.08 0.00 0.00 -0.50 0.00 0.00 54.79 51.06 1b8t n ASP 45 Cb 0.47 -0.61 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 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 0.35 0.00 -3.29 -1.12 7.64 -1.26 -5.16 113.62 110.78 1b8t n SER 46 Ca 0.26 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1b8t n SER 46 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1b8t n SER 46 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1b8t n THR 47 N -0.33 0.00 -1.14 0.44 -2.24 -1.26 -3.92 114.28 105.83 1b8t n THR 47 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 1b8t n THR 47 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 1b8t n THR 47 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1b8t n THR 48 N -1.80 0.00 -3.94 4.28 -1.04 -1.26 -4.95 114.28 105.57 1b8t n THR 48 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 1b8t n THR 48 Cb 0.00 -1.11 -0.05 0.00 -1.82 0.00 0.00 70.33 67.35 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 -1.54 5.28 0.21 12.58 0.11 -1.25 -1.20 120.40 134.59 1b8t s VAL 49 Ca 0.00 -0.33 0.05 0.00 -2.93 0.00 0.00 61.98 58.77 1b8t s VAL 49 Cb 0.00 -3.52 -0.05 0.00 -1.53 0.00 0.00 36.38 31.28 1b8t s VAL 49 CO 0.00 0.23 -0.06 0.00 -3.33 0.00 0.00 175.10 171.94 1b8t s ALA 50 N -1.40 1.80 0.35 1.54 0.00 0.04 -4.80 121.76 119.30 1b8t s ALA 50 Ca 0.30 -1.68 0.06 0.00 0.00 0.00 0.00 51.96 50.64 1b8t s ALA 50 Cb -0.13 0.22 -0.07 0.00 0.00 0.00 0.00 23.12 23.14 1b8t s ALA 50 CO 0.23 -0.13 -0.00 0.08 0.00 0.00 0.00 175.76 175.94 1b8t s VAL 51 N -3.26 1.71 -0.30 0.00 1.01 -1.26 -1.44 120.40 116.86 1b8t s VAL 51 Ca 0.24 -2.05 -0.05 0.00 0.00 0.00 0.00 61.98 60.12 1b8t s VAL 51 Cb 0.03 -2.78 0.19 0.00 0.00 0.00 0.00 36.38 33.82 1b8t s VAL 51 CO 0.06 -0.09 0.78 -2.28 0.00 0.00 0.00 175.10 173.58 1b8t s HIS 52 N -2.94 -1.19 0.00 5.22 5.65 0.21 -4.87 115.29 117.38 1b8t s HIS 52 Ca 0.34 1.16 0.00 0.00 0.25 0.00 0.00 55.06 56.81 1b8t s HIS 52 Cb 0.07 0.38 0.00 0.00 -1.18 0.00 0.00 32.58 31.85 1b8t s HIS 52 CO 0.16 -0.66 0.00 0.41 -0.65 0.00 0.00 174.74 174.00 1b8t n GLY 53 N 5.43 1.28 1.93 1.59 0.00 -1.26 -0.17 105.19 113.99 1b8t n GLY 53 Ca -0.02 0.49 -0.23 0.00 0.00 0.00 0.00 46.02 46.26 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 9.73 4.95 -3.86 1.61 8.00 -1.26 -5.01 116.55 130.72 1b8t n ASP 54 Ca 0.00 -3.77 -0.09 0.00 0.71 0.00 0.00 54.79 51.64 1b8t n ASP 54 Cb 0.00 -0.44 -0.08 0.00 -0.02 0.00 0.00 41.12 40.58 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 -3.59 0.77 -0.02 -1.24 0.41 0.76 -5.11 118.70 110.69 1b8t s GLU 55 Ca 0.52 -0.83 0.07 0.00 -0.41 0.00 0.00 54.97 54.32 1b8t s GLU 55 Cb 0.42 0.32 -0.02 0.00 -1.78 0.00 0.00 34.13 33.07 1b8t s GLU 55 CO 0.03 -0.24 -0.22 0.96 -0.49 0.00 0.00 175.26 175.30 1b8t s ILE 56 N -3.32 1.75 -0.04 -1.63 -4.36 -1.26 -0.62 121.20 111.72 1b8t s ILE 56 Ca 0.01 -0.95 -0.06 0.00 -0.26 0.00 0.00 60.65 59.39 1b8t s ILE 56 Cb 0.02 -1.46 0.01 0.00 1.25 0.00 0.00 42.46 42.29 1b8t s ILE 56 CO -0.08 0.50 0.15 -0.31 0.24 0.00 0.00 174.94 175.44 1b8t s TYR 57 N -0.50 -0.12 0.22 1.37 2.02 -0.52 -1.48 117.35 118.34 1b8t s TYR 57 Ca 0.08 0.28 -0.30 0.00 -0.37 0.00 0.00 57.07 56.77 1b8t s TYR 57 Cb -0.09 0.03 -0.08 0.00 -0.40 0.00 0.00 41.96 41.42 1b8t s TYR 57 CO -0.01 -0.14 1.08 0.00 -1.57 0.00 0.00 175.55 174.92 1b8t h LYS 59 N 4.58 -0.19 -0.90 0.00 1.79 -1.46 0.59 116.57 120.98 1b8t h LYS 59 Ca -0.45 0.01 0.32 0.00 -2.18 0.00 0.00 60.65 58.35 1b8t h LYS 59 Cb 1.21 0.04 -0.16 0.00 -1.58 0.00 0.00 32.23 31.74 1b8t h LYS 59 CO 0.70 -0.13 0.28 0.43 -1.08 0.00 0.00 179.45 179.65 1b8t n SER 60 N -5.41 0.13 0.19 0.86 7.64 -1.26 0.11 113.62 115.88 1b8t n SER 60 Ca 0.02 1.51 -0.12 0.00 1.01 0.00 0.00 58.87 61.29 1b8t n SER 60 Cb 0.35 -0.65 -0.07 0.00 -1.01 0.00 0.00 64.21 62.83 1b8t n SER 60 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b8t h TYR 62 N -0.94 -0.57 -0.03 0.00 0.05 0.21 0.84 116.97 116.53 1b8t h TYR 62 Ca -0.05 0.08 -0.11 0.00 0.05 0.00 0.00 58.73 58.69 1b8t h TYR 62 Cb 0.54 0.37 -0.01 0.00 1.01 0.00 0.00 36.73 38.64 1b8t h TYR 62 CO 0.02 -0.36 -0.49 0.78 -1.05 0.00 0.00 178.16 177.07 1b8t h GLY 63 N -0.03 0.07 1.15 3.88 0.00 -0.38 -0.89 103.07 106.87 1b8t h GLY 63 Ca 0.36 -0.07 -0.08 0.00 0.00 0.00 0.00 47.33 47.54 1b8t h GLY 63 CO -0.82 0.06 0.07 0.50 0.00 0.00 0.00 176.54 176.36 1b8t h LYS 64 N 0.05 1.04 0.35 4.80 1.79 0.32 0.46 116.57 125.38 1b8t h LYS 64 Ca -0.00 -0.28 -0.02 0.00 -2.18 0.00 0.00 60.65 58.17 1b8t h LYS 64 Cb 0.88 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 1b8t h LYS 64 CO 0.07 0.97 -0.17 -0.22 -1.08 0.00 0.00 179.45 179.02 1b8t h LYS 65 N 0.97 -0.45 -0.06 3.15 3.64 0.10 -3.17 116.57 120.74 1b8t h LYS 65 Ca 0.19 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.62 1b8t h LYS 65 Cb 0.46 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1b8t h LYS 65 CO 0.02 -0.30 0.18 1.88 -2.27 0.00 0.00 179.45 178.96 1b8t h TYR 66 N -1.09 0.00 -3.53 1.91 0.05 -1.19 -3.48 116.97 109.65 1b8t h TYR 66 Ca -0.05 0.00 0.25 0.00 0.05 0.00 0.00 58.73 58.98 1b8t h TYR 66 Cb 0.36 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 37.96 1b8t h TYR 66 CO 0.00 0.00 -1.18 0.41 -1.05 0.00 0.00 178.16 176.34 1b8t n GLY 67 N -1.23 -3.59 3.27 3.88 0.00 0.16 -4.94 105.19 102.75 1b8t n GLY 67 Ca -0.01 -1.00 -0.26 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.84 -2.01 -4.20 1.61 -0.04 -1.26 -4.94 135.00 120.32 1b8t n PRO 68 Ca -0.07 -1.69 -0.14 0.00 -0.04 0.00 0.00 63.50 61.56 1b8t n PRO 68 Cb 0.62 -1.33 -0.09 0.00 -0.04 0.00 0.00 33.50 32.66 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 -5.40 1.45 0.00 0.54 2.47 -1.26 -5.18 119.74 112.37 1b8t s LYS 69 Ca 0.65 -1.72 0.00 0.00 -1.56 0.00 0.00 55.97 53.34 1b8t s LYS 69 Cb -0.04 0.32 0.00 0.00 -1.46 0.00 0.00 37.83 36.65 1b8t s LYS 69 CO 0.48 -0.52 0.00 0.41 0.16 0.00 0.00 175.35 175.88 1b8t n GLY 70 N -0.41 -0.52 3.88 5.54 0.00 -1.26 -5.19 105.19 107.23 1b8t n GLY 70 Ca 0.03 -1.00 0.03 0.00 0.00 0.00 0.00 46.02 45.08 1b8t n GLY 70 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b8t s LYS 71 N -2.00 0.29 -0.04 1.61 2.47 -1.26 -5.19 119.74 115.62 1b8t s LYS 71 Ca 0.00 -0.18 -0.30 0.00 -1.56 0.00 0.00 55.97 53.93 1b8t s LYS 71 Cb 0.00 0.09 0.11 0.00 -1.46 0.00 0.00 37.83 36.56 1b8t s LYS 71 CO 0.00 -0.14 1.32 0.20 0.16 0.00 0.00 175.35 176.89 1b8t s GLY 72 N -3.59 -0.25 0.04 5.54 0.00 -1.26 -5.19 107.32 102.60 1b8t s GLY 72 Ca 0.26 0.30 -0.27 0.00 0.00 0.00 0.00 44.72 45.00 1b8t s GLY 72 CO -0.02 4.07 1.22 -1.59 0.00 0.00 0.00 173.10 176.78 1b8t s LYS 73 N -2.10 0.63 0.00 2.90 0.00 -1.26 -5.19 119.74 114.72 1b8t s LYS 73 Ca 0.25 -0.39 0.00 0.00 0.00 0.00 0.00 55.97 55.83 1b8t s LYS 73 Cb 0.02 0.18 0.00 0.00 0.00 0.00 0.00 37.83 38.03 1b8t s LYS 73 CO -0.02 -0.29 0.00 0.41 0.00 0.00 0.00 175.35 175.44 1b8t n GLY 74 N -0.72 3.18 3.60 0.59 0.00 -1.26 -5.19 105.19 105.39 1b8t n GLY 74 Ca -0.02 -0.77 0.04 0.00 0.00 0.00 0.00 46.02 45.27 1b8t n GLY 74 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1b8t s MET 75 N -2.00 0.08 0.00 1.61 0.23 -1.26 -5.19 119.30 112.77 1b8t s MET 75 Ca 0.00 -0.05 0.00 0.00 -1.03 0.00 0.00 55.69 54.61 1b8t s MET 75 Cb 0.00 0.03 0.00 0.00 -1.53 0.00 0.00 34.83 33.33 1b8t s MET 75 CO 0.00 -0.04 0.00 0.41 -2.03 0.00 0.00 175.02 173.36 1b8t n GLY 76 N -0.54 2.65 3.85 3.16 0.00 -1.26 -5.19 105.19 107.86 1b8t n GLY 76 Ca -0.08 -0.83 0.03 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.46 0.00 4.61 0.00 -1.26 -5.19 121.76 115.46 1b8t s ALA 77 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.28 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 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.05 1b8t n GLY 78 N -0.76 2.92 3.39 0.00 0.00 -1.26 -5.19 105.19 104.30 1b8t n GLY 78 Ca -0.01 -0.55 -0.17 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.00 0.00 -0.04 2.61 -4.23 -1.26 -5.18 115.64 105.54 1b8t s THR 79 Ca 0.00 -1.78 -0.30 0.00 -1.18 0.00 0.00 61.69 58.43 1b8t s THR 79 Cb 0.00 -2.58 0.12 0.00 1.34 0.00 0.00 72.50 71.37 1b8t s THR 79 CO 0.00 0.00 1.33 -0.22 -0.54 0.00 0.00 174.62 175.19 1b8t s LEU 80 N -3.30 -0.02 0.00 4.79 2.96 -1.26 -5.19 118.68 116.66 1b8t s LEU 80 Ca 0.35 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.14 1b8t s LEU 80 Cb 0.01 1.25 0.00 0.00 0.50 0.00 0.00 46.19 47.95 1b8t s LEU 80 CO 0.23 -0.21 0.00 -0.24 -1.32 0.00 0.00 176.35 174.81 1b8t n SER 81 N -0.74 0.00 -3.63 3.68 2.88 -1.26 -5.19 113.62 109.36 1b8t n SER 81 Ca -0.03 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.49 1b8t n SER 81 Cb 0.61 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.06 1b8t n SER 81 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1b8t s THR 82 N -2.00 0.00 -0.10 2.46 -1.32 -1.26 -5.19 115.64 108.23 1b8t s THR 82 Ca 0.00 -0.23 -0.33 0.00 -1.21 0.00 0.00 61.69 59.92 1b8t s THR 82 Cb 0.00 -1.64 0.14 0.00 -1.51 0.00 0.00 72.50 69.49 1b8t s THR 82 CO 0.00 0.00 1.37 1.51 -2.21 0.00 0.00 174.62 175.29 1b8t s ASP 83 N -2.72 -0.03 -0.04 8.08 1.47 -1.26 -5.19 116.67 116.98 1b8t s ASP 83 Ca 0.12 -0.05 -0.30 0.00 1.18 0.00 0.00 52.55 53.50 1b8t s ASP 83 Cb 0.01 0.07 0.11 0.00 -0.34 0.00 0.00 42.92 42.77 1b8t s ASP 83 CO -0.03 -0.13 1.32 -0.75 0.68 0.00 0.00 175.17 176.26 1b8t s LYS 84 N -2.19 0.29 0.00 2.11 2.20 -1.26 -5.19 119.74 115.70 1b8t s LYS 84 Ca 0.14 -0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.57 1b8t s LYS 84 Cb 0.05 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 1b8t s LYS 84 CO -0.05 -0.14 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 1b8t n GLY 85 N -0.79 -0.77 0.00 5.54 0.00 -1.26 -5.19 105.19 102.72 1b8t n GLY 85 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1b8t n GLY 85 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1b8t n GLU 86 N -0.05 -0.42 -3.61 1.61 2.13 -1.26 -5.19 120.64 113.84 1b8t n GLU 86 Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 1b8t n GLU 86 Cb 0.00 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.71 1b8t n GLU 86 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1b8t s SER 87 N 0.00 -0.03 0.03 4.31 0.01 -1.26 -5.19 113.70 111.57 1b8t s SER 87 Ca 0.00 -0.08 -0.27 0.00 1.31 0.00 0.00 55.95 56.90 1b8t s SER 87 Cb 0.00 0.10 0.10 0.00 0.21 0.00 0.00 66.02 66.42 1b8t s SER 87 CO 0.00 -0.18 1.22 -0.22 0.41 0.00 0.00 173.24 174.47 1b8t s LEU 88 N -3.04 -0.02 0.00 2.44 0.20 -1.26 -5.19 118.68 111.81 1b8t s LEU 88 Ca 0.15 -0.30 0.00 0.00 0.69 0.00 0.00 54.13 54.68 1b8t s LEU 88 Cb 0.06 1.53 0.00 0.00 -0.43 0.00 0.00 46.19 47.34 1b8t s LEU 88 CO -0.05 -0.47 0.00 0.61 -0.29 0.00 0.00 176.35 176.15 1b8t n GLY 89 N -0.74 1.92 3.59 7.98 0.00 -1.26 -5.18 105.19 111.49 1b8t n GLY 89 Ca -0.01 -0.83 -0.07 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.00 0.00 -0.13 -0.61 1.10 -1.26 -5.18 121.20 113.11 1b8t s ILE 90 Ca 0.00 0.00 -0.30 0.00 -0.51 0.00 0.00 60.65 59.84 1b8t s ILE 90 Cb 0.00 -1.00 0.13 0.00 0.15 0.00 0.00 42.46 41.74 1b8t s ILE 90 CO 0.00 0.00 1.02 -0.75 -2.11 0.00 0.00 174.94 173.10 1b8t s LYS 91 N -1.38 0.57 0.14 3.50 2.47 -1.26 -5.19 119.74 118.60 1b8t s LYS 91 Ca 0.03 -0.01 -0.25 0.00 -1.56 0.00 0.00 55.97 54.19 1b8t s LYS 91 Cb -0.01 0.27 0.08 0.00 -1.46 0.00 0.00 37.83 36.71 1b8t s LYS 91 CO -0.03 -0.21 1.05 -0.47 0.16 0.00 0.00 175.35 175.86 1b8t s TYR 92 N -1.77 -0.02 -0.06 4.03 5.04 -1.26 -5.19 117.35 118.13 1b8t s TYR 92 Ca 0.02 -0.30 -0.31 0.00 -2.44 0.00 0.00 57.07 54.04 1b8t s TYR 92 Cb -0.01 0.65 0.13 0.00 0.35 0.00 0.00 41.96 43.09 1b8t s TYR 92 CO -0.03 -0.78 1.36 -1.83 -1.34 0.00 0.00 175.55 172.94 1b8t s GLU 93 N -2.61 0.20 -0.05 4.97 -1.05 -1.26 -5.19 118.70 113.70 1b8t s GLU 93 Ca 0.18 -0.11 -0.31 0.00 -0.15 0.00 0.00 54.97 54.57 1b8t s GLU 93 Cb -0.01 0.07 0.13 0.00 -0.44 0.00 0.00 34.13 33.87 1b8t s GLU 93 CO 0.03 -0.09 1.35 -2.00 0.95 0.00 0.00 175.26 175.50 1b8t s GLU 94 N -2.18 0.23 -0.05 -4.83 2.12 -1.26 -5.19 118.70 107.54 1b8t s GLU 94 Ca 0.17 -0.13 -0.31 0.00 0.36 0.00 0.00 54.97 55.06 1b8t s GLU 94 Cb 0.05 0.08 0.12 0.00 0.26 0.00 0.00 34.13 34.64 1b8t s GLU 94 CO -0.05 -0.11 1.34 0.20 -0.54 0.00 0.00 175.26 176.11 1b8t s GLY 95 N -3.11 -0.35 -0.05 -1.50 0.00 -1.26 -5.19 107.32 95.85 1b8t s GLY 95 Ca 0.17 0.56 -0.31 0.00 0.00 0.00 0.00 44.72 45.14 1b8t s GLY 95 CO -0.05 2.13 1.35 -0.86 0.00 0.00 0.00 173.10 175.67 1b8t s GLN 96 N -2.17 0.23 0.00 2.90 0.00 -1.26 -5.19 119.66 114.18 1b8t s GLN 96 Ca 0.20 -0.13 0.00 0.00 -0.00 0.00 0.00 55.36 55.42 1b8t s GLN 96 Cb 0.04 0.08 0.00 0.00 0.00 0.00 0.00 33.01 33.13 1b8t s GLN 96 CO -0.04 -0.11 0.00 0.43 0.00 0.00 0.00 175.29 175.57 1b8t n SER 97 N -0.57 0.00 -3.76 12.60 7.64 -1.26 -5.19 113.62 123.07 1b8t n SER 97 Ca -0.07 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.84 1b8t n SER 97 Cb 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 1b8t n SER 97 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1b8t s HIS 98 N -2.00 -0.00 -0.30 1.43 3.76 -1.26 -5.14 115.29 111.77 1b8t s HIS 98 Ca 0.00 -0.03 -0.14 0.00 -0.15 0.00 0.00 55.06 54.73 1b8t s HIS 98 Cb 0.00 0.52 0.19 0.00 1.11 0.00 0.00 32.58 34.39 1b8t s HIS 98 CO 0.00 -0.08 1.15 0.50 -0.85 0.00 0.00 174.74 175.46 1b8t s ARG 99 N -2.06 0.03 1.01 1.40 3.52 -1.26 -5.18 118.95 116.42 1b8t s ARG 99 Ca 0.23 0.01 -0.17 0.00 -0.13 0.00 0.00 55.73 55.67 1b8t s ARG 99 Cb 0.04 0.01 0.24 0.00 -1.56 0.00 0.00 34.95 33.68 1b8t s ARG 99 CO -0.04 -0.06 1.12 -0.35 -0.81 0.00 0.00 175.30 175.16 1b8t n PRO 100 N 4.27 -2.06 -3.63 5.12 -0.04 -1.26 -5.10 135.00 132.30 1b8t n PRO 100 Ca 0.07 -1.76 -0.03 0.00 -0.04 0.00 0.00 63.50 61.74 1b8t n PRO 100 Cb 0.62 -1.38 -0.01 0.00 -0.04 0.00 0.00 33.50 32.68 1b8t n PRO 100 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1b8t s THR 101 N -3.27 0.00 -0.30 0.52 -1.32 -1.26 -5.15 115.64 104.87 1b8t s THR 101 Ca 0.68 -0.25 -0.09 0.00 -1.21 0.00 0.00 61.69 60.81 1b8t s THR 101 Cb -0.04 -1.56 0.19 0.00 -1.51 0.00 0.00 72.50 69.58 1b8t s THR 101 CO 0.49 0.00 1.00 0.21 -2.21 0.00 0.00 174.62 174.11 1b8t s ASN 102 N -2.69 -0.53 1.11 8.08 3.84 -1.26 -5.17 114.94 118.32 1b8t s ASN 102 Ca 0.10 0.05 -0.17 0.00 0.21 0.00 0.00 52.86 53.06 1b8t s ASN 102 Cb 0.00 1.32 0.24 0.00 -0.55 0.00 0.00 41.25 42.27 1b8t s ASN 102 CO -0.03 -0.10 1.12 -0.81 -2.79 0.00 0.00 177.10 174.49 1b8t n PRO 103 N 5.10 -2.08 -3.58 0.43 -0.04 -1.26 -5.10 135.00 128.47 1b8t n PRO 103 Ca 0.09 -1.76 -0.05 0.00 -0.04 0.00 0.00 63.50 61.74 1b8t n PRO 103 Cb 0.58 -1.39 -0.02 0.00 -0.04 0.00 0.00 33.50 32.63 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 -4.87 -0.18 -0.02 3.54 3.84 -1.26 -5.19 114.94 110.80 1b8t s ASN 104 Ca 0.68 0.01 -0.30 0.00 0.21 0.00 0.00 52.86 53.45 1b8t s ASN 104 Cb -0.04 0.19 0.12 0.00 -0.55 0.00 0.00 41.25 40.97 1b8t s ASN 104 CO 0.49 -0.30 1.30 0.00 -2.79 0.00 0.00 177.10 175.80 1b8t s ALA 105 N -2.49 -2.28 -0.05 1.71 0.00 -1.26 -5.19 121.76 112.20 1b8t s ALA 105 Ca 0.08 0.64 -0.32 0.00 0.00 0.00 0.00 51.96 52.37 1b8t s ALA 105 Cb -0.01 0.41 0.13 0.00 0.00 0.00 0.00 23.12 23.65 1b8t s ALA 105 CO -0.05 -1.07 1.35 -1.54 0.00 0.00 0.00 175.76 174.45 1b8t s SER 106 N -3.07 -0.03 0.00 0.00 1.04 -1.26 -5.19 113.70 105.18 1b8t s SER 106 Ca 0.16 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1b8t s SER 106 Cb 0.04 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1b8t s SER 106 CO -0.04 -0.18 0.00 -1.14 0.98 0.00 0.00 173.24 172.87 1b8t n ARG 107 N -0.49 0.00 -3.58 4.02 3.00 -1.26 -5.19 116.66 113.16 1b8t n ARG 107 Ca -0.09 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.78 1b8t n ARG 107 Cb 0.63 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 33.09 1b8t n ARG 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1b8t s MET 108 N -2.00 0.08 -0.04 -0.14 0.23 -1.26 -5.19 119.30 110.98 1b8t s MET 108 Ca 0.00 -0.04 -0.30 0.00 -1.03 0.00 0.00 55.69 54.31 1b8t s MET 108 Cb 0.00 0.03 0.12 0.00 -1.53 0.00 0.00 34.83 33.45 1b8t s MET 108 CO 0.00 -0.04 1.33 0.00 -2.03 0.00 0.00 175.02 174.28 1b8t s ALA 109 N -2.09 -2.42 0.00 3.16 0.00 -1.26 -5.19 121.76 113.95 1b8t s ALA 109 Ca 0.14 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1b8t s ALA 109 Cb 0.06 0.57 0.00 0.00 0.00 0.00 0.00 23.12 23.75 1b8t s ALA 109 CO -0.06 -1.10 0.00 0.94 0.00 0.00 0.00 175.76 175.54 1b8t n GLN 110 N -0.68 -0.12 -3.60 0.00 7.27 -1.26 -5.19 117.38 113.81 1b8t n GLN 110 Ca -0.03 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.00 1b8t n GLN 110 Cb 0.61 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.24 1b8t n GLN 110 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1b8t s LYS 111 N -2.00 0.33 -0.02 3.69 2.20 -1.26 -5.19 119.74 117.49 1b8t s LYS 111 Ca 0.00 -0.13 -0.30 0.00 -0.36 0.00 0.00 55.97 55.18 1b8t s LYS 111 Cb 0.00 0.14 0.11 0.00 -1.51 0.00 0.00 37.83 36.57 1b8t s LYS 111 CO 0.00 -0.14 0.97 0.54 -0.36 0.00 0.00 175.35 176.35 1b8t s VAL 112 N -2.43 0.00 0.14 4.02 0.11 -1.26 -5.19 120.40 115.79 1b8t s VAL 112 Ca 0.10 -0.08 -0.06 0.00 -2.93 0.00 0.00 61.98 59.00 1b8t s VAL 112 Cb -0.00 -1.15 0.02 0.00 -1.53 0.00 0.00 36.38 33.73 1b8t s VAL 112 CO -0.05 0.00 0.33 0.61 -3.33 0.00 0.00 175.10 172.67 1b8t n GLY 113 N -0.25 1.50 3.59 6.54 0.00 -1.26 -5.19 105.19 110.12 1b8t n GLY 113 Ca -0.07 -1.09 -0.05 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.93 -0.37 -0.10 -0.02 0.00 -1.26 -5.19 107.32 98.46 1b8t s GLY 114 Ca 0.07 0.94 -0.33 0.00 0.00 0.00 0.00 44.72 45.40 1b8t s GLY 114 CO 0.04 0.29 1.39 -1.35 0.00 0.00 0.00 173.10 173.47 1b8t s SER 115 N -2.57 -0.02 0.00 1.64 1.04 -1.26 -4.99 113.70 107.53 1b8t s SER 115 Ca 0.09 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1b8t s SER 115 Cb -0.00 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1b8t s SER 115 CO -0.05 -0.10 0.00 0.47 0.98 0.00 0.00 173.24 174.54 1b8t n ASP 116 N -0.43 0.00 -4.23 7.02 9.92 -0.56 -5.06 116.55 123.21 1b8t n ASP 116 Ca -0.08 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 53.99 1b8t n ASP 116 Cb 0.63 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 41.01 1b8t n ASP 116 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1b8t s GLY 117 N -0.02 2.01 -0.44 0.44 0.00 -1.26 -0.12 107.32 107.93 1b8t s GLY 117 Ca 0.00 -1.79 -0.14 0.00 0.00 0.00 0.00 44.72 42.79 1b8t s GLY 117 CO 0.00 -1.67 0.33 0.00 0.00 0.00 0.00 173.10 171.76 1b8t n PRO 119 N 5.12 0.75 -0.02 0.00 -0.04 -1.26 0.38 135.00 139.92 1b8t n PRO 119 Ca -0.12 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.33 1b8t n PRO 119 Cb 0.44 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.00 0.14 0.10 0.54 3.00 -1.26 -4.64 116.66 113.54 1b8t n ARG 120 Ca 0.18 0.32 -0.22 0.00 -0.00 0.00 0.00 57.85 58.13 1b8t n ARG 120 Cb 0.08 -1.02 -0.15 0.00 0.00 0.00 0.00 32.46 31.37 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 1.73 1.77 3.76 0.00 0.00 0.16 -5.08 105.19 107.53 1b8t n GLY 122 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.10 3.68 1.05 1.61 -0.21 -1.24 -4.40 119.66 120.05 1b8t s GLN 123 Ca 0.00 2.15 -0.11 0.00 0.02 0.00 0.00 55.36 57.42 1b8t s GLN 123 Cb 0.00 -2.56 0.22 0.00 1.00 0.00 0.00 33.01 31.67 1b8t s GLN 123 CO 0.00 -0.73 1.08 0.00 -2.12 0.00 0.00 175.29 173.53 1b8t s ALA 124 N -1.31 0.44 -0.12 6.09 0.00 -1.26 0.30 121.76 125.89 1b8t s ALA 124 Ca 0.62 0.23 -0.02 0.00 0.00 0.00 0.00 51.96 52.79 1b8t s ALA 124 Cb -0.38 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.43 1b8t s ALA 124 CO 0.47 -3.35 -0.00 0.08 0.00 0.00 0.00 175.76 172.96 1b8t s VAL 125 N -2.54 0.55 0.38 0.00 1.01 0.84 -4.44 120.40 116.19 1b8t s VAL 125 Ca 0.68 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1b8t s VAL 125 Cb -0.24 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.34 1b8t s VAL 125 CO 0.61 0.13 0.00 0.00 0.00 0.00 0.00 175.10 175.85 1b8t n TYR 126 N 5.07 -3.97 -0.57 5.22 9.36 -1.26 -1.49 117.16 129.52 1b8t n TYR 126 Ca -0.09 1.20 -0.04 0.00 3.32 0.00 0.00 57.90 62.29 1b8t n TYR 126 Cb 0.49 2.94 0.03 0.00 -0.63 0.00 0.00 39.34 42.17 1b8t n TYR 126 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1b8t n ALA 127 N -3.33 -0.40 -1.27 2.98 0.00 -1.26 -4.85 120.51 112.38 1b8t n ALA 127 Ca 0.00 -0.19 -0.40 0.00 0.00 0.00 0.00 53.44 52.85 1b8t n ALA 127 Cb 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 -3.22 -2.99 -1.54 0.00 0.00 -1.26 -3.90 120.51 107.60 1b8t n ALA 128 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1b8t n ALA 128 Cb 0.07 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 1.42 0.00 -3.98 0.00 2.13 -1.26 -4.99 120.64 113.96 1b8t n GLU 129 Ca 0.09 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.60 1b8t n GLU 129 Cb 0.45 -1.60 -0.15 0.00 0.27 0.00 0.00 31.44 30.42 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 -3.10 1.55 0.27 5.31 -2.85 -1.25 -3.38 119.74 116.28 1b8t s LYS 130 Ca 0.00 -2.01 -0.08 0.00 -1.00 0.00 0.00 55.97 52.88 1b8t s LYS 130 Cb 0.00 -3.15 -0.07 0.00 -2.06 0.00 0.00 37.83 32.56 1b8t s LYS 130 CO 0.00 -0.99 0.58 0.54 0.10 0.00 0.00 175.35 175.58 1b8t s VAL 131 N 0.65 4.94 -0.12 1.79 0.11 0.16 -4.82 120.40 123.11 1b8t s VAL 131 Ca 0.12 0.37 -0.03 0.00 -2.93 0.00 0.00 61.98 59.51 1b8t s VAL 131 Cb -0.21 -3.66 0.05 0.00 -1.53 0.00 0.00 36.38 31.02 1b8t s VAL 131 CO -0.07 -0.20 0.06 -0.63 -3.33 0.00 0.00 175.10 170.93 1b8t s ILE 132 N -1.96 0.10 0.01 7.04 1.01 -1.26 -1.34 121.20 124.79 1b8t s ILE 132 Ca 0.47 -0.01 -0.17 0.00 0.00 0.00 0.00 60.65 60.93 1b8t s ILE 132 Cb -0.11 -0.52 0.03 0.00 0.01 0.00 0.00 42.46 41.87 1b8t s ILE 132 CO 0.25 -0.04 0.38 -0.83 0.00 0.00 0.00 174.94 174.70 1b8t s GLY 133 N 2.07 -0.23 -1.21 6.18 0.00 0.42 -4.93 107.32 109.61 1b8t s GLY 133 Ca 0.03 0.38 -0.20 0.00 0.00 0.00 0.00 44.72 44.93 1b8t s GLY 133 CO -0.06 0.14 0.68 0.00 0.00 0.00 0.00 173.10 173.85 1b8t n ALA 134 N 0.88 -2.45 -4.18 3.20 0.00 -1.26 0.02 120.51 116.72 1b8t n ALA 134 Ca -0.20 -0.33 -0.36 0.00 0.00 0.00 0.00 53.44 52.55 1b8t n ALA 134 Cb 0.58 -3.24 -0.07 0.00 0.00 0.00 0.00 19.45 16.72 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 -1.85 -0.39 3.16 0.00 0.00 -1.26 -4.49 105.19 100.35 1b8t n GLY 135 Ca -0.14 0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 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 -6.70 0.79 0.01 1.61 1.02 0.10 -5.04 119.74 111.53 1b8t s LYS 136 Ca 0.71 -1.18 0.08 0.00 0.02 0.00 0.00 55.97 55.60 1b8t s LYS 136 Cb -0.41 0.27 -0.02 0.00 -0.52 0.00 0.00 37.83 37.14 1b8t s LYS 136 CO 0.87 -0.21 -0.25 0.45 -0.92 0.00 0.00 175.35 175.29 1b8t s SER 137 N -2.93 2.91 0.24 2.83 0.15 -1.26 -0.44 113.70 115.20 1b8t s SER 137 Ca 0.11 -0.50 -0.08 0.00 0.70 0.00 0.00 55.95 56.18 1b8t s SER 137 Cb 0.07 -0.29 0.03 0.00 -1.71 0.00 0.00 66.02 64.11 1b8t s SER 137 CO -0.07 0.27 0.45 0.79 1.20 0.00 0.00 173.24 175.88 1b8t n TRP 138 N 2.17 -1.73 -2.83 3.44 7.02 -0.45 -4.37 117.44 120.69 1b8t n TRP 138 Ca -0.16 -1.16 -0.40 0.00 -1.02 0.00 0.00 57.50 54.76 1b8t n TRP 138 Cb 0.52 0.53 -0.06 0.00 -2.42 0.00 0.00 31.31 29.88 1b8t n TRP 138 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 1b8t s HIS 139 N -4.75 3.95 -0.11 -5.99 3.76 -1.26 0.41 115.29 111.29 1b8t s HIS 139 Ca 0.11 1.82 -0.06 0.00 -0.15 0.00 0.00 55.06 56.78 1b8t s HIS 139 Cb -0.03 -2.91 -0.23 0.00 1.11 0.00 0.00 32.58 30.52 1b8t s HIS 139 CO 0.08 0.46 3.31 1.17 -0.85 0.00 0.00 174.74 178.91 1b8t n LYS 140 N 1.60 1.94 0.00 1.40 4.81 -1.22 -2.25 118.16 124.44 1b8t n LYS 140 Ca -0.03 -1.00 0.00 0.00 -0.87 0.00 0.00 58.31 56.41 1b8t n LYS 140 Cb 0.48 -2.01 0.00 0.00 0.02 0.00 0.00 35.03 33.51 1b8t n LYS 140 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1b8t n SER 141 N 2.63 0.00 0.06 3.14 3.41 -1.26 -4.90 113.62 116.70 1b8t n SER 141 Ca 0.42 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.97 1b8t n SER 141 Cb 0.79 0.18 -0.10 0.00 -0.26 0.00 0.00 64.21 64.82 1b8t n SER 141 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b8t n PHE 143 N -3.27 0.82 -4.36 0.00 7.35 -0.95 -4.86 117.46 112.19 1b8t n PHE 143 Ca -0.02 0.03 -0.19 0.00 -0.76 0.00 0.00 57.45 56.51 1b8t n PHE 143 Cb 0.92 -1.99 -0.10 0.00 0.35 0.00 0.00 39.48 38.66 1b8t n PHE 143 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1b8t s ARG 144 N 8.30 1.37 0.19 -4.13 0.52 -1.26 -1.50 118.95 122.44 1b8t s ARG 144 Ca 1.08 -1.61 -0.31 0.00 -0.52 0.00 0.00 55.73 54.37 1b8t s ARG 144 Cb -0.42 -1.20 -0.11 0.00 0.52 0.00 0.00 34.95 33.74 1b8t s ARG 144 CO 0.27 0.20 1.59 0.00 0.02 0.00 0.00 175.30 177.39 1b8t n ALA 146 N 3.69 4.73 0.00 0.00 0.00 -0.56 -0.15 120.51 128.22 1b8t n ALA 146 Ca 0.13 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.29 1b8t n ALA 146 Cb 0.38 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 0.50 0.00 -0.01 0.00 3.00 -1.26 -4.89 118.16 115.49 1b8t n LYS 147 Ca 0.24 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.58 1b8t n LYS 147 Cb 0.61 -0.13 -0.08 0.00 0.00 0.00 0.00 35.03 35.43 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 1.98 1.33 3.70 0.00 0.00 0.78 -4.99 105.19 107.99 1b8t n GLY 149 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1b8t n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b8t s LYS 150 N -0.29 4.14 0.35 1.61 1.02 -1.26 -4.31 119.74 120.99 1b8t s LYS 150 Ca 0.00 2.58 -0.28 0.00 0.02 0.00 0.00 55.97 58.29 1b8t s LYS 150 Cb 0.00 -3.41 -0.10 0.00 -0.52 0.00 0.00 37.83 33.80 1b8t s LYS 150 CO 0.00 -0.80 1.24 0.45 -0.92 0.00 0.00 175.35 175.33 1b8t s SER 151 N 2.15 6.75 0.22 2.83 0.15 -1.26 -0.27 113.70 124.27 1b8t s SER 151 Ca 0.78 2.55 0.01 0.00 0.70 0.00 0.00 55.95 59.99 1b8t s SER 151 Cb -0.47 -2.64 0.01 0.00 -1.71 0.00 0.00 66.02 61.22 1b8t s SER 151 CO 0.35 -0.53 0.10 0.18 1.20 0.00 0.00 173.24 174.53 1b8t n LEU 152 N 0.64 0.00 0.19 3.45 4.32 -0.56 -4.88 117.00 120.16 1b8t n LEU 152 Ca 0.01 -1.24 0.00 0.00 -0.02 0.00 0.00 56.01 54.76 1b8t n LEU 152 Cb 0.43 0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 1b8t n LEU 152 CO 0.56 -0.31 0.00 -1.84 -1.22 0.00 0.00 177.39 174.58 1b8t n GLU 153 N -0.84 0.00 0.00 3.23 0.28 -1.26 -4.80 120.64 117.25 1b8t n GLU 153 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 1b8t n GLU 153 Cb 0.26 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.13 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 -3.37 0.00 0.09 -1.84 3.41 -1.26 -4.92 113.62 105.74 1b8t n SER 154 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1b8t n SER 154 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1b8t n SER 154 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1b8t n THR 155 N 0.00 0.00 -2.93 6.66 -2.24 -1.26 -5.04 114.28 109.47 1b8t n THR 155 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1b8t n THR 155 Cb 0.00 -0.28 -0.00 0.00 -2.10 0.00 0.00 70.33 67.95 1b8t n THR 155 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1b8t n THR 156 N -3.11 -0.30 -4.02 4.28 -2.24 -1.26 -5.12 114.28 102.52 1b8t n THR 156 Ca 0.00 -2.52 -0.36 0.00 -2.27 0.00 0.00 64.05 58.90 1b8t n THR 156 Cb 0.00 0.07 -0.07 0.00 -2.10 0.00 0.00 70.33 68.22 1b8t n THR 156 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1b8t s LEU 157 N -0.85 4.12 0.20 3.22 0.05 -1.26 -0.39 118.68 123.77 1b8t s LEU 157 Ca 0.33 0.35 -0.03 0.00 0.05 0.00 0.00 54.13 54.83 1b8t s LEU 157 Cb 0.20 -1.99 -0.05 0.00 -2.05 0.00 0.00 46.19 42.30 1b8t s LEU 157 CO -0.19 0.38 0.43 0.00 -0.55 0.00 0.00 176.35 176.42 1b8t s ALA 158 N -0.86 3.77 -0.31 1.48 0.00 0.92 -4.87 121.76 121.89 1b8t s ALA 158 Ca 0.14 -0.67 -0.00 0.00 0.00 0.00 0.00 51.96 51.43 1b8t s ALA 158 Cb -0.12 -2.12 0.10 0.00 0.00 0.00 0.00 23.12 20.98 1b8t s ALA 158 CO 0.03 0.47 0.09 0.16 0.00 0.00 0.00 175.76 176.51 1b8t s ASP 159 N -2.90 4.09 -0.89 0.00 1.47 -1.26 -1.19 116.67 115.99 1b8t s ASP 159 Ca 0.41 -1.67 -0.16 0.00 1.18 0.00 0.00 52.55 52.30 1b8t s ASP 159 Cb -0.11 -0.96 0.18 0.00 -0.34 0.00 0.00 42.92 41.69 1b8t s ASP 159 CO 0.28 -0.40 0.96 -0.75 0.68 0.00 0.00 175.17 175.93 1b8t s LYS 160 N 1.53 3.63 -0.75 2.11 2.47 0.13 -4.65 119.74 124.21 1b8t s LYS 160 Ca 0.09 -2.16 -0.02 0.00 -1.56 0.00 0.00 55.97 52.32 1b8t s LYS 160 Cb -0.17 -4.67 0.00 0.00 -1.46 0.00 0.00 37.83 31.52 1b8t s LYS 160 CO -0.22 -1.52 0.53 -0.25 0.16 0.00 0.00 175.35 174.05 1b8t n ASP 161 N 5.17 -4.19 0.00 1.43 8.00 -1.26 -0.40 116.55 125.29 1b8t n ASP 161 Ca 0.19 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.81 1b8t n ASP 161 Cb 0.48 -1.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 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 -1.54 2.56 3.63 0.44 0.00 -1.26 -5.01 105.19 104.00 1b8t n GLY 162 Ca -0.28 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 44.81 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 0.75 -4.39 1.61 1.02 0.46 -4.82 120.64 115.26 1b8t n GLU 163 Ca 0.00 0.30 -0.21 0.00 -0.02 0.00 0.00 57.16 57.23 1b8t n GLU 163 Cb 0.00 -2.23 -0.16 0.00 -0.02 0.00 0.00 31.44 29.03 1b8t n GLU 163 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1b8t s ILE 164 N -1.63 0.82 0.29 -3.67 -4.36 -1.26 0.20 121.20 111.60 1b8t s ILE 164 Ca 0.76 -0.34 0.06 0.00 -0.26 0.00 0.00 60.65 60.87 1b8t s ILE 164 Cb -0.38 -0.76 -0.02 0.00 1.25 0.00 0.00 42.46 42.55 1b8t s ILE 164 CO 0.47 0.27 0.27 -1.22 0.24 0.00 0.00 174.94 174.98 1b8t n TYR 165 N 3.63 -0.79 -3.61 1.37 4.01 -0.33 -1.49 117.16 119.95 1b8t n TYR 165 Ca -0.22 -2.40 -0.34 0.00 -0.16 0.00 0.00 57.90 54.78 1b8t n TYR 165 Cb 0.53 0.29 -0.05 0.00 -0.31 0.00 0.00 39.34 39.79 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 3.57 0.42 -0.23 0.00 3.64 -1.06 1.55 116.57 124.47 1b8t h LYS 167 Ca -0.49 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 58.92 1b8t h LYS 167 Cb 1.19 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1b8t h LYS 167 CO 0.67 0.28 0.16 0.78 -2.27 0.00 0.00 179.45 179.07 1b8t h GLY 168 N 0.43 0.07 0.28 5.01 0.00 -1.93 0.44 103.07 107.36 1b8t h GLY 168 Ca 0.66 -0.02 -0.11 0.00 0.00 0.00 0.00 47.33 47.86 1b8t h GLY 168 CO -0.55 0.02 -0.55 0.00 0.00 0.00 0.00 176.54 175.46 1b8t h TYR 170 N -0.72 0.28 0.00 0.00 3.20 -0.09 0.45 116.97 120.09 1b8t h TYR 170 Ca -0.12 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.76 1b8t h TYR 170 Cb 1.32 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.50 1b8t h TYR 170 CO 0.22 0.15 -0.08 0.00 -1.64 0.00 0.00 178.16 176.81 1b8t h ALA 171 N 1.79 0.00 -0.25 1.82 0.00 -0.24 -3.24 119.26 119.14 1b8t h ALA 171 Ca 0.17 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1b8t h ALA 171 Cb 0.32 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1b8t h ALA 171 CO -0.04 0.08 -0.45 0.87 0.00 0.00 0.00 179.25 179.72 1b8t h LYS 172 N -0.65 -0.36 -1.03 0.00 1.57 -1.03 0.53 116.57 115.60 1b8t h LYS 172 Ca 0.00 0.02 0.41 0.00 -1.87 0.00 0.00 60.65 59.22 1b8t h LYS 172 Cb 0.08 0.08 -0.17 0.00 0.08 0.00 0.00 32.23 32.31 1b8t h LYS 172 CO 0.00 -0.24 0.58 -1.71 -0.57 0.00 0.00 179.45 177.51 1b8t n ASN 173 N -4.85 0.31 -2.99 0.86 2.85 0.16 -0.05 115.26 111.55 1b8t n ASN 173 Ca -0.04 1.55 -0.26 0.00 -0.11 0.00 0.00 54.58 55.72 1b8t n ASN 173 Cb 0.28 -0.76 -0.04 0.00 1.24 0.00 0.00 39.78 40.51 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 -5.08 3.81 0.00 1.20 3.72 0.16 -4.87 117.46 116.41 1b8t n PHE 174 Ca 0.37 -4.00 0.00 0.00 -0.05 0.00 0.00 57.45 53.77 1b8t n PHE 174 Cb 1.29 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 39.34 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 -0.14 0.34 3.79 1.37 0.00 0.92 -4.79 105.19 106.67 1b8t n GLY 175 Ca 0.31 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 1.03 0.54 1.61 0.04 -1.26 -5.08 135.00 131.89 1b8t s PRO 176 Ca 0.00 0.25 0.09 0.00 0.04 0.00 0.00 61.00 61.38 1b8t s PRO 176 Cb 0.00 -1.83 0.07 0.00 0.04 0.00 0.00 34.50 32.78 1b8t s PRO 176 CO 0.00 -2.26 0.74 -1.59 0.04 0.00 0.00 177.00 173.93 1b8t s LYS 177 N -5.31 2.42 -0.13 4.56 -2.85 -1.26 -4.90 119.74 112.27 1b8t s LYS 177 Ca 0.64 -1.52 -0.01 0.00 -1.00 0.00 0.00 55.97 54.08 1b8t s LYS 177 Cb -0.14 -2.66 0.00 0.00 -2.06 0.00 0.00 37.83 32.97 1b8t s LYS 177 CO 0.53 -0.73 0.05 0.41 0.10 0.00 0.00 175.35 175.71 1b8t n GLY 178 N -2.17 -2.91 3.45 0.59 0.00 -1.26 -5.10 105.19 97.79 1b8t n GLY 178 Ca 0.14 0.12 -0.22 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.86 1.89 0.23 1.61 0.08 -1.26 -5.17 117.98 114.50 1b8t s PHE 179 Ca 0.02 -1.03 -0.05 0.00 0.12 0.00 0.00 56.93 56.00 1b8t s PHE 179 Cb -0.01 -1.23 -0.03 0.00 -0.57 0.00 0.00 43.02 41.19 1b8t s PHE 179 CO 0.31 -0.07 0.27 0.20 -0.10 0.00 0.00 175.22 175.83 1b8t s GLY 180 N -3.49 1.19 0.13 4.36 0.00 -1.26 -5.18 107.32 103.07 1b8t s GLY 180 Ca 0.35 -1.44 0.01 0.00 0.00 0.00 0.00 44.72 43.63 1b8t s GLY 180 CO 0.15 -1.13 -0.01 -0.11 0.00 0.00 0.00 173.10 172.00 1b8t s PHE 181 N -4.02 0.97 -0.26 1.90 -0.12 -1.26 -5.15 117.98 110.04 1b8t s PHE 181 Ca 0.33 -1.03 -0.05 0.00 -0.05 0.00 0.00 56.93 56.14 1b8t s PHE 181 Cb 0.04 -0.56 0.14 0.00 -0.63 0.00 0.00 43.02 42.01 1b8t s PHE 181 CO 0.12 -0.27 0.51 0.20 -0.05 0.00 0.00 175.22 175.74 1b8t s GLY 182 N -3.08 -0.65 0.38 1.99 0.00 -1.26 -5.14 107.32 99.56 1b8t s GLY 182 Ca 0.18 1.62 -0.26 0.00 0.00 0.00 0.00 44.72 46.27 1b8t s GLY 182 CO -0.01 2.92 1.05 0.61 0.00 0.00 0.00 173.10 177.67 1b8t n GLN 183 N 5.41 1.47 -2.66 2.90 10.64 -1.26 -4.92 117.38 128.96 1b8t n GLN 183 Ca -0.06 0.52 -0.03 0.00 -1.83 0.00 0.00 57.00 55.61 1b8t n GLN 183 Cb 0.50 -2.04 0.11 0.00 -0.86 0.00 0.00 30.24 27.95 1b8t n GLN 183 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1b8t n GLY 184 N 1.13 -1.72 2.65 2.61 0.00 -1.26 -5.06 105.19 103.54 1b8t n GLY 184 Ca 0.09 0.97 -0.11 0.00 0.00 0.00 0.00 46.02 46.97 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 0.74 -0.50 -1.20 4.61 0.00 -1.26 -5.14 120.51 117.77 1b8t n ALA 185 Ca -0.05 -1.76 0.00 0.00 0.00 0.00 0.00 53.44 51.63 1b8t n ALA 185 Cb 0.75 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 19.03 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 0.78 0.31 3.03 0.00 0.00 -1.26 -5.11 105.19 102.94 1b8t n GLY 186 Ca 0.10 -1.66 -0.03 0.00 0.00 0.00 0.00 46.02 44.43 1b8t n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b8t s ALA 187 N -3.67 -1.66 -0.22 4.61 0.00 -1.26 -5.12 121.76 114.43 1b8t s ALA 187 Ca 0.00 1.33 -0.01 0.00 0.00 0.00 0.00 51.96 53.28 1b8t s ALA 187 Cb 0.00 -1.93 0.06 0.00 0.00 0.00 0.00 23.12 21.25 1b8t s ALA 187 CO 0.00 -1.32 0.00 -0.51 0.00 0.00 0.00 175.76 173.93 1b8t s LEU 188 N 2.70 1.93 -0.07 0.00 1.43 -1.26 -5.11 118.68 118.30 1b8t s LEU 188 Ca 0.16 -1.07 -0.28 0.00 -1.03 0.00 0.00 54.13 51.91 1b8t s LEU 188 Cb -0.15 -0.89 -0.02 0.00 0.03 0.00 0.00 46.19 45.16 1b8t s LEU 188 CO -0.19 -0.29 0.93 -0.51 0.23 0.00 0.00 176.35 176.52 1b8t s ILE 189 N 1.62 4.87 0.20 -0.59 -1.16 -1.26 -5.03 121.20 119.85 1b8t s ILE 189 Ca -0.02 1.91 -0.25 0.00 -0.51 0.00 0.00 60.65 61.78 1b8t s ILE 189 Cb -0.18 -4.25 -0.08 0.00 0.61 0.00 0.00 42.46 38.55 1b8t s ILE 189 CO -0.09 0.10 0.80 -1.38 -2.81 0.00 0.00 174.94 171.57 1b8t s HIS 190 N 1.46 3.85 0.07 3.50 0.00 -1.26 -4.70 115.29 118.21 1b8t s HIS 190 Ca 0.47 1.64 0.00 0.00 -3.00 0.00 0.00 55.06 54.17 1b8t s HIS 190 Cb -0.19 -2.78 0.00 0.00 -4.00 0.00 0.00 32.58 25.61 1b8t s HIS 190 CO 0.21 0.45 0.00 -1.13 -1.00 0.00 0.00 174.74 173.27 1b8t n SER 191 N 1.33 -8.81 0.00 7.38 3.41 -1.26 -5.36 113.62 110.31 1b8t n SER 191 Ca -0.04 1.70 0.00 0.00 -0.26 0.00 0.00 58.87 60.27 1b8t n SER 191 Cb 0.49 -4.97 0.00 0.00 -0.26 0.00 0.00 64.21 59.47 1b8t n SER 191 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55