#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8t s PRO 2 N 0.00 0.65 -0.03 0.03 0.04 -1.26 -5.10 135.00 129.34 1b8t s PRO 2 Ca 0.00 0.10 -0.29 0.00 0.04 0.00 0.00 61.00 60.84 1b8t s PRO 2 Cb 0.00 -1.80 0.08 0.00 0.04 0.00 0.00 34.50 32.82 1b8t s PRO 2 CO 0.00 -2.49 0.72 1.21 0.04 0.00 0.00 177.00 176.48 1b8t s ASN 3 N -4.17 -0.59 0.16 6.66 3.84 -1.26 -5.18 114.94 114.41 1b8t s ASN 3 Ca 0.67 0.52 0.07 0.00 0.21 0.00 0.00 52.86 54.33 1b8t s ASN 3 Cb -0.12 0.51 -0.04 0.00 -0.55 0.00 0.00 41.25 41.05 1b8t s ASN 3 CO 0.54 -0.63 -0.15 0.26 -2.79 0.00 0.00 177.10 174.33 1b8t s TRP 4 N -1.68 1.61 0.00 0.43 0.51 -1.26 -5.14 118.94 113.40 1b8t s TRP 4 Ca -0.07 -0.56 0.00 0.00 -2.12 0.00 0.00 56.10 53.35 1b8t s TRP 4 Cb -0.00 -0.79 0.00 0.00 -0.81 0.00 0.00 33.47 31.86 1b8t s TRP 4 CO 0.04 0.26 0.00 0.41 -0.51 0.00 0.00 176.95 177.15 1b8t n GLY 5 N 0.08 2.09 0.00 0.98 0.00 -1.26 -5.19 105.19 101.90 1b8t n GLY 5 Ca -0.12 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.48 1.22 0.18 -0.02 0.00 -1.26 -4.87 105.19 99.96 1b8t n GLY 6 Ca 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 46.02 45.54 1b8t n GLY 6 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1b8t h GLY 7 N 0.00 0.47 0.00 -0.02 0.00 -1.33 -3.46 103.07 98.73 1b8t h GLY 7 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1b8t h GLY 7 CO 0.00 -0.11 0.00 1.17 0.00 0.00 0.00 176.54 177.60 1b8t n LYS 8 N -5.20 0.00 -1.90 4.80 4.81 0.48 -4.70 118.16 116.45 1b8t n LYS 8 Ca 0.04 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.06 1b8t n LYS 8 Cb 0.24 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.26 1b8t n LYS 8 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1b8t s LYS 9 N -1.90 4.20 -0.45 1.64 -2.85 -1.26 0.29 119.74 119.41 1b8t s LYS 9 Ca 0.00 2.39 -0.24 0.00 -1.00 0.00 0.00 55.97 57.12 1b8t s LYS 9 Cb 0.00 -3.27 0.03 0.00 -2.06 0.00 0.00 37.83 32.53 1b8t s LYS 9 CO 0.00 -0.66 0.82 0.00 0.10 0.00 0.00 175.35 175.61 1b8t n GLY 11 N 4.98 -1.00 0.08 0.00 0.00 -1.26 -0.09 105.19 107.90 1b8t n GLY 11 Ca 0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 1b8t n GLY 11 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1b8t n VAL 12 N -0.62 0.59 0.11 1.61 0.31 -1.26 -4.65 118.33 114.42 1b8t n VAL 12 Ca 0.06 0.35 -0.01 0.00 -0.01 0.00 0.00 64.34 64.73 1b8t n VAL 12 Cb 0.03 -1.81 -0.03 0.00 -0.91 0.00 0.00 33.84 31.12 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 -3.23 0.00 -4.28 0.00 -0.06 0.87 -5.07 117.38 105.60 1b8t n GLN 14 Ca 0.00 0.06 -0.22 0.00 -2.00 0.00 0.00 57.00 54.84 1b8t n GLN 14 Cb 0.81 -2.30 -0.12 0.00 -4.06 0.00 0.00 30.24 24.57 1b8t n GLN 14 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 1b8t s LYS 15 N -2.63 1.12 0.63 3.69 -0.14 -1.11 -4.86 119.74 116.45 1b8t s LYS 15 Ca 0.00 -1.21 -0.17 0.00 -1.36 0.00 0.00 55.97 53.24 1b8t s LYS 15 Cb 0.00 -1.29 -0.01 0.00 -1.68 0.00 0.00 37.83 34.85 1b8t s LYS 15 CO 0.00 0.29 1.15 0.00 -0.76 0.00 0.00 175.35 176.03 1b8t s ALA 16 N -1.45 2.47 0.08 5.17 0.00 -1.26 0.27 121.76 127.03 1b8t s ALA 16 Ca 0.08 0.76 0.07 0.00 0.00 0.00 0.00 51.96 52.87 1b8t s ALA 16 Cb -0.09 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 1b8t s ALA 16 CO 0.05 -1.25 -0.19 0.08 0.00 0.00 0.00 175.76 174.44 1b8t s VAL 17 N -2.01 1.54 0.28 0.00 1.01 0.15 -4.77 120.40 116.60 1b8t s VAL 17 Ca 0.72 -1.39 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1b8t s VAL 17 Cb -0.25 -1.40 -0.00 0.00 0.00 0.00 0.00 36.38 34.73 1b8t s VAL 17 CO 0.37 -0.04 0.04 -1.22 0.00 0.00 0.00 175.10 174.25 1b8t n TYR 18 N 1.34 0.45 -0.91 5.22 4.01 -1.26 -0.38 117.16 125.62 1b8t n TYR 18 Ca -0.19 -1.54 -0.10 0.00 -0.16 0.00 0.00 57.90 55.91 1b8t n TYR 18 Cb 0.54 -0.12 -0.14 0.00 -0.31 0.00 0.00 39.34 39.30 1b8t n TYR 18 CO 0.00 0.00 0.00 1.97 -0.46 0.00 0.00 176.86 178.37 1b8t n PHE 19 N -0.67 0.00 -0.02 -0.72 -1.74 -1.26 -3.15 117.46 109.90 1b8t n PHE 19 Ca -0.09 -1.40 -0.06 0.00 -0.56 0.00 0.00 57.45 55.34 1b8t n PHE 19 Cb 0.38 -1.43 -0.02 0.00 1.52 0.00 0.00 39.48 39.93 1b8t n PHE 19 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1b8t n ALA 20 N 2.38 2.26 -2.80 1.98 0.00 -1.26 -4.93 120.51 118.15 1b8t n ALA 20 Ca 0.36 -0.34 -0.10 0.00 0.00 0.00 0.00 53.44 53.37 1b8t n ALA 20 Cb 0.84 0.24 0.07 0.00 0.00 0.00 0.00 19.45 20.60 1b8t n ALA 20 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1b8t n GLU 21 N -3.72 1.09 -3.45 0.00 0.28 -1.25 -5.13 120.64 108.47 1b8t n GLU 21 Ca -0.10 -2.40 -0.34 0.00 -0.16 0.00 0.00 57.16 54.15 1b8t n GLU 21 Cb 0.35 -0.89 -0.06 0.00 1.43 0.00 0.00 31.44 32.27 1b8t n GLU 21 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 1b8t s GLU 22 N -0.86 3.86 -0.11 3.44 4.04 -1.24 -1.16 118.70 126.67 1b8t s GLU 22 Ca 0.26 0.33 -0.02 0.00 0.04 0.00 0.00 54.97 55.59 1b8t s GLU 22 Cb 0.36 -2.89 0.04 0.00 0.02 0.00 0.00 34.13 31.66 1b8t s GLU 22 CO -0.05 0.47 0.00 0.08 -1.84 0.00 0.00 175.26 173.92 1b8t s VAL 23 N -1.52 0.51 0.07 1.83 1.01 0.02 -4.79 120.40 117.52 1b8t s VAL 23 Ca 0.38 -0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.14 1b8t s VAL 23 Cb -0.14 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.43 1b8t s VAL 23 CO 0.19 0.13 0.35 -1.58 0.00 0.00 0.00 175.10 174.19 1b8t s GLN 24 N 1.90 3.67 -0.03 2.72 0.74 -1.26 -0.22 119.66 127.17 1b8t s GLN 24 Ca 0.03 0.03 -0.02 0.00 0.05 0.00 0.00 55.36 55.45 1b8t s GLN 24 Cb -0.14 -3.00 0.02 0.00 1.10 0.00 0.00 33.01 30.99 1b8t s GLN 24 CO -0.06 0.57 0.08 0.00 -0.55 0.00 0.00 175.29 175.33 1b8t n GLU 26 N 3.37 0.05 0.00 0.00 4.07 -1.26 -0.10 120.64 126.77 1b8t n GLU 26 Ca -0.16 0.01 0.00 0.00 -0.06 0.00 0.00 57.16 56.94 1b8t n GLU 26 Cb 0.57 -1.55 0.00 0.00 -0.06 0.00 0.00 31.44 30.40 1b8t n GLU 26 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1b8t n GLY 27 N 7.06 3.29 3.63 8.31 0.00 -1.26 -4.85 105.19 121.37 1b8t n GLY 27 Ca 0.59 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.13 -0.10 1.61 0.01 0.86 -5.16 113.70 110.79 1b8t s SER 28 Ca 0.00 -0.85 0.04 0.00 1.31 0.00 0.00 55.95 56.45 1b8t s SER 28 Cb 0.00 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.84 1b8t s SER 28 CO 0.00 -1.17 -0.22 -0.94 0.41 0.00 0.00 173.24 171.32 1b8t s SER 29 N -2.99 2.93 0.26 2.44 1.04 -1.26 -0.48 113.70 115.63 1b8t s SER 29 Ca 0.20 -0.53 0.05 0.00 0.48 0.00 0.00 55.95 56.15 1b8t s SER 29 Cb -0.02 -1.34 -0.05 0.00 0.10 0.00 0.00 66.02 64.71 1b8t s SER 29 CO 0.08 0.13 -0.04 -0.36 0.98 0.00 0.00 173.24 174.03 1b8t s PHE 30 N 0.46 1.78 1.19 5.02 0.08 0.70 -4.00 117.98 123.21 1b8t s PHE 30 Ca -0.17 -0.78 -0.18 0.00 0.12 0.00 0.00 56.93 55.92 1b8t s PHE 30 Cb -0.17 -1.02 0.23 0.00 -0.57 0.00 0.00 43.02 41.49 1b8t s PHE 30 CO 0.07 0.15 0.48 0.72 -0.10 0.00 0.00 175.22 176.54 1b8t n HIS 31 N -0.51 -2.34 0.28 0.36 8.25 -1.26 -0.80 115.22 119.20 1b8t n HIS 31 Ca -0.05 -0.21 -0.12 0.00 -0.26 0.00 0.00 57.72 57.08 1b8t n HIS 31 Cb 0.63 -1.46 -0.06 0.00 1.12 0.00 0.00 29.99 30.22 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 -2.80 -0.74 -0.33 -0.41 3.64 -1.45 -2.63 116.57 111.85 1b8t h LYS 32 Ca -0.42 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 58.99 1b8t h LYS 32 Cb 1.16 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 33.13 1b8t h LYS 32 CO 0.29 -0.49 0.12 1.03 -2.27 0.00 0.00 179.45 178.13 1b8t h SER 33 N -1.20 0.42 -0.87 4.20 0.87 -1.92 -0.95 113.55 114.10 1b8t h SER 33 Ca -0.08 -0.04 0.11 0.00 -1.23 0.00 0.00 61.79 60.56 1b8t h SER 33 Cb 0.59 -0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.38 1b8t h SER 33 CO 0.13 0.39 0.56 0.00 -0.53 0.00 0.00 176.83 177.39 1b8t n PHE 35 N -4.54 1.49 -4.28 0.00 -0.00 -0.36 -4.80 117.46 104.97 1b8t n PHE 35 Ca 0.16 -1.58 -0.20 0.00 -0.00 0.00 0.00 57.45 55.83 1b8t n PHE 35 Cb 0.37 -1.52 -0.16 0.00 -0.00 0.00 0.00 39.48 38.17 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 0.88 1.60 -0.40 -2.13 0.20 -1.22 -1.49 118.68 116.12 1b8t s LEU 36 Ca 0.57 -0.16 -0.41 0.00 0.69 0.00 0.00 54.13 54.82 1b8t s LEU 36 Cb 0.14 -0.49 -0.16 0.00 -0.43 0.00 0.00 46.19 45.25 1b8t s LEU 36 CO 0.14 0.01 1.96 0.00 -0.29 0.00 0.00 176.35 178.18 1b8t n MET 38 N 6.56 0.97 -0.01 0.00 2.81 0.46 -0.18 117.12 127.74 1b8t n MET 38 Ca 0.40 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 56.28 1b8t n MET 38 Cb 0.07 -1.03 -0.00 0.00 -0.71 0.00 0.00 33.22 31.55 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 -0.53 0.22 0.22 2.03 0.31 -1.26 -4.66 118.33 114.66 1b8t n VAL 39 Ca 0.01 0.34 0.12 0.00 -0.01 0.00 0.00 64.34 64.80 1b8t n VAL 39 Cb 0.01 -1.49 0.21 0.00 -0.91 0.00 0.00 33.84 31.67 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 -3.12 0.00 -3.92 0.00 5.02 0.75 -5.03 118.16 111.87 1b8t n LYS 41 Ca 0.03 0.43 -0.35 0.00 -2.02 0.00 0.00 58.31 56.40 1b8t n LYS 41 Cb 0.52 -3.92 -0.09 0.00 -0.02 0.00 0.00 35.03 31.52 1b8t n LYS 41 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1b8t s LYS 42 N -2.29 3.94 0.56 1.97 2.20 -1.16 -4.80 119.74 120.15 1b8t s LYS 42 Ca 0.00 -0.28 -0.19 0.00 -0.36 0.00 0.00 55.97 55.14 1b8t s LYS 42 Cb 0.00 -3.26 -0.08 0.00 -1.51 0.00 0.00 37.83 32.98 1b8t s LYS 42 CO 0.00 0.36 0.63 0.09 -0.36 0.00 0.00 175.35 176.07 1b8t n ASN 43 N 3.30 -0.58 -4.24 1.43 3.02 -1.26 0.28 115.26 117.21 1b8t n ASN 43 Ca -0.17 0.78 -0.24 0.00 -0.03 0.00 0.00 54.58 54.92 1b8t n ASN 43 Cb 0.52 -1.22 -0.13 0.00 -0.61 0.00 0.00 39.78 38.34 1b8t n ASN 43 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1b8t s LEU 44 N 0.25 2.21 0.00 3.41 1.43 -0.56 -4.58 118.68 120.84 1b8t s LEU 44 Ca 0.69 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 1b8t s LEU 44 Cb -0.46 -0.88 0.00 0.00 0.03 0.00 0.00 46.19 44.88 1b8t s LEU 44 CO 0.53 0.10 0.00 0.47 0.23 0.00 0.00 176.35 177.69 1b8t n ASP 45 N 1.61 0.00 0.00 2.29 8.00 -1.26 -4.70 116.55 122.49 1b8t n ASP 45 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1b8t n ASP 45 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 1b8t n ASP 45 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1b8t n SER 46 N 0.00 0.00 -2.94 -2.24 7.64 -1.26 -5.08 113.62 109.74 1b8t n SER 46 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 1b8t n SER 46 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 -0.72 0.00 0.44 -1.32 -1.26 -4.95 115.64 107.82 1b8t s THR 47 Ca 0.00 -0.25 0.00 0.00 -1.21 0.00 0.00 61.69 60.23 1b8t s THR 47 Cb 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.99 1b8t s THR 47 CO 0.00 0.00 0.00 0.41 -2.21 0.00 0.00 174.62 172.82 1b8t n THR 48 N 3.69 0.00 -1.53 5.08 -1.04 -1.26 -5.05 114.28 114.17 1b8t n THR 48 Ca 0.11 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.72 1b8t n THR 48 Cb 0.59 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.12 1b8t n THR 48 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1b8t n VAL 49 N 0.00 2.28 -4.28 12.58 3.14 -1.26 -0.96 118.33 129.82 1b8t n VAL 49 Ca 0.00 -0.50 -0.15 0.00 -2.96 0.00 0.00 64.34 60.73 1b8t n VAL 49 Cb 0.00 -0.85 -0.10 0.00 -1.06 0.00 0.00 33.84 31.83 1b8t n VAL 49 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1b8t s ALA 50 N -1.43 1.57 0.01 1.55 0.00 0.14 -4.72 121.76 118.88 1b8t s ALA 50 Ca 0.65 -1.69 0.08 0.00 0.00 0.00 0.00 51.96 51.00 1b8t s ALA 50 Cb -0.55 0.59 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 1b8t s ALA 50 CO 0.56 -0.31 -0.24 0.08 0.00 0.00 0.00 175.76 175.85 1b8t s VAL 51 N -3.58 2.29 -0.19 0.00 1.01 -1.26 -1.05 120.40 117.61 1b8t s VAL 51 Ca 0.27 -1.19 -0.12 0.00 0.00 0.00 0.00 61.98 60.94 1b8t s VAL 51 Cb 0.06 -1.86 0.06 0.00 0.00 0.00 0.00 36.38 34.63 1b8t s VAL 51 CO 0.07 0.46 0.46 -2.28 0.00 0.00 0.00 175.10 173.82 1b8t s HIS 52 N -0.74 -0.64 0.00 5.22 5.65 -0.35 -4.93 115.29 119.50 1b8t s HIS 52 Ca 0.11 1.39 0.00 0.00 0.25 0.00 0.00 55.06 56.81 1b8t s HIS 52 Cb -0.10 0.29 0.00 0.00 -1.18 0.00 0.00 32.58 31.59 1b8t s HIS 52 CO 0.01 -0.34 0.00 0.41 -0.65 0.00 0.00 174.74 174.17 1b8t n GLY 53 N 3.85 1.07 2.58 1.59 0.00 -1.26 -0.04 105.19 112.97 1b8t n GLY 53 Ca -0.20 0.71 -0.17 0.00 0.00 0.00 0.00 46.02 46.36 1b8t n GLY 53 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b8t n ASP 54 N 4.64 2.77 -3.50 1.61 5.68 -1.26 -5.02 116.55 121.46 1b8t n ASP 54 Ca 0.00 -3.14 -0.09 0.00 -0.50 0.00 0.00 54.79 51.06 1b8t n ASP 54 Cb 0.00 -0.51 -0.02 0.00 -1.14 0.00 0.00 41.12 39.45 1b8t n ASP 54 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1b8t s GLU 55 N -3.27 0.99 -0.06 0.11 2.02 0.94 -4.95 118.70 114.49 1b8t s GLU 55 Ca 0.36 -0.39 -0.01 0.00 0.02 0.00 0.00 54.97 54.96 1b8t s GLU 55 Cb 0.43 0.45 -0.03 0.00 0.10 0.00 0.00 34.13 35.07 1b8t s GLU 55 CO -0.06 -0.44 -0.01 0.96 0.02 0.00 0.00 175.26 175.74 1b8t s ILE 56 N -3.33 4.20 -0.08 -1.63 -4.36 -1.26 -1.21 121.20 113.54 1b8t s ILE 56 Ca 0.04 -0.37 -0.04 0.00 -0.26 0.00 0.00 60.65 60.03 1b8t s ILE 56 Cb -0.01 -2.79 0.04 0.00 1.25 0.00 0.00 42.46 40.95 1b8t s ILE 56 CO -0.09 0.54 0.18 -0.31 0.24 0.00 0.00 174.94 175.50 1b8t s TYR 57 N -0.93 -0.21 0.36 1.37 2.02 -0.22 -0.40 117.35 119.34 1b8t s TYR 57 Ca 0.15 0.57 -0.27 0.00 -0.37 0.00 0.00 57.07 57.14 1b8t s TYR 57 Cb -0.11 -0.04 -0.10 0.00 -0.40 0.00 0.00 41.96 41.31 1b8t s TYR 57 CO 0.04 -0.18 1.30 0.00 -1.57 0.00 0.00 175.55 175.14 1b8t n LYS 59 N 0.49 -0.28 -0.27 0.00 4.81 -0.14 0.65 118.16 123.43 1b8t n LYS 59 Ca 0.02 1.25 0.01 0.00 -0.87 0.00 0.00 58.31 58.72 1b8t n LYS 59 Cb 0.43 -1.85 0.06 0.00 0.02 0.00 0.00 35.03 33.69 1b8t n LYS 59 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1b8t n SER 60 N -4.46 -0.38 0.46 3.14 2.88 -1.26 0.11 113.62 114.12 1b8t n SER 60 Ca 0.01 1.25 -0.20 0.00 -1.33 0.00 0.00 58.87 58.60 1b8t n SER 60 Cb 0.17 -0.33 -0.10 0.00 -0.75 0.00 0.00 64.21 63.20 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 -1.25 -1.73 0.00 0.00 3.20 0.26 1.56 116.97 119.01 1b8t h TYR 62 Ca -0.12 0.12 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1b8t h TYR 62 Cb 0.99 0.87 -0.00 0.00 1.54 0.00 0.00 36.73 40.13 1b8t h TYR 62 CO -0.07 -0.40 -0.06 0.78 -1.64 0.00 0.00 178.16 176.77 1b8t h GLY 63 N -0.08 0.00 1.36 1.82 0.00 -0.37 0.36 103.07 106.17 1b8t h GLY 63 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.31 1b8t h GLY 63 CO -0.87 0.00 -0.66 0.50 0.00 0.00 0.00 176.54 175.51 1b8t h LYS 64 N 0.00 0.65 0.00 4.80 1.57 0.61 0.42 116.57 124.62 1b8t h LYS 64 Ca -0.00 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1b8t h LYS 64 Cb 0.21 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1b8t h LYS 64 CO 0.01 1.09 -0.09 -0.22 -0.57 0.00 0.00 179.45 179.67 1b8t h LYS 65 N 0.47 0.00 -0.46 3.15 3.64 0.90 -3.35 116.57 120.92 1b8t h LYS 65 Ca -0.02 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1b8t h LYS 65 Cb 1.25 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.04 1b8t h LYS 65 CO 0.13 0.00 0.31 1.88 -2.27 0.00 0.00 179.45 179.50 1b8t h TYR 66 N -0.84 0.45 -1.61 1.91 0.05 -0.46 -3.44 116.97 113.03 1b8t h TYR 66 Ca 0.00 0.01 -0.38 0.00 0.05 0.00 0.00 58.73 58.41 1b8t h TYR 66 Cb 0.09 -0.15 0.20 0.00 1.01 0.00 0.00 36.73 37.88 1b8t h TYR 66 CO -0.04 0.26 -1.47 0.41 -1.05 0.00 0.00 178.16 176.27 1b8t n GLY 67 N -1.50 -2.54 3.80 3.88 0.00 0.15 -4.94 105.19 104.05 1b8t n GLY 67 Ca 0.05 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.75 1.89 0.50 1.61 0.04 -1.26 -4.97 135.00 130.06 1b8t s PRO 68 Ca 0.39 0.57 0.06 0.00 0.04 0.00 0.00 61.00 62.06 1b8t s PRO 68 Cb -0.01 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.64 1b8t s PRO 68 CO 0.53 -1.74 0.36 -1.59 0.04 0.00 0.00 177.00 174.61 1b8t s LYS 69 N -5.18 2.31 0.00 4.56 -2.85 -1.26 -5.03 119.74 112.28 1b8t s LYS 69 Ca 0.61 -1.90 0.00 0.00 -1.00 0.00 0.00 55.97 53.69 1b8t s LYS 69 Cb -0.14 -2.13 0.00 0.00 -2.06 0.00 0.00 37.83 33.49 1b8t s LYS 69 CO 0.54 -0.45 0.00 0.41 0.10 0.00 0.00 175.35 175.95 1b8t n GLY 70 N -1.64 0.61 3.70 0.59 0.00 -1.26 -5.16 105.19 102.04 1b8t n GLY 70 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 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 3.10 0.78 0.00 1.61 -2.85 -1.26 -5.19 119.74 115.93 1b8t s LYS 71 Ca 0.00 -0.44 0.00 0.00 -1.00 0.00 0.00 55.97 54.53 1b8t s LYS 71 Cb 0.00 0.26 0.00 0.00 -2.06 0.00 0.00 37.83 36.03 1b8t s LYS 71 CO 0.00 -0.36 0.00 0.41 0.10 0.00 0.00 175.35 175.50 1b8t n GLY 72 N -0.51 6.25 3.50 0.59 0.00 -1.26 -5.18 105.19 108.58 1b8t n GLY 72 Ca -0.07 -1.67 -0.17 0.00 0.00 0.00 0.00 46.02 44.12 1b8t n GLY 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b8t s LYS 73 N 1.14 0.96 -0.01 1.61 2.20 -1.26 -5.17 119.74 119.21 1b8t s LYS 73 Ca 0.00 0.33 0.03 0.00 -0.36 0.00 0.00 55.97 55.97 1b8t s LYS 73 Cb 0.00 0.45 -0.01 0.00 -1.51 0.00 0.00 37.83 36.77 1b8t s LYS 73 CO 0.00 -0.27 -0.09 0.20 -0.36 0.00 0.00 175.35 174.83 1b8t s GLY 74 N -0.91 0.46 -0.14 5.54 0.00 -1.26 -5.14 107.32 105.87 1b8t s GLY 74 Ca -0.09 -0.39 -0.29 0.00 0.00 0.00 0.00 44.72 43.95 1b8t s GLY 74 CO 0.08 -0.30 0.80 -0.29 0.00 0.00 0.00 173.10 173.38 1b8t s MET 75 N -0.16 0.85 0.00 2.90 0.00 -1.26 -5.18 119.30 116.45 1b8t s MET 75 Ca 0.03 0.42 0.00 0.00 0.00 0.00 0.00 55.69 56.14 1b8t s MET 75 Cb -0.04 0.41 0.00 0.00 0.00 0.00 0.00 34.83 35.19 1b8t s MET 75 CO -0.00 -0.22 0.00 0.41 0.00 0.00 0.00 175.02 175.20 1b8t n GLY 76 N 1.36 1.25 3.62 2.11 0.00 -1.26 -5.19 105.19 107.08 1b8t n GLY 76 Ca -0.15 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.17 0.00 4.61 0.00 -1.26 -5.16 121.76 115.78 1b8t s ALA 77 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1b8t s ALA 77 Cb 0.00 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.40 1b8t s ALA 77 CO 0.00 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.21 1b8t n GLY 78 N -0.41 0.97 3.17 0.00 0.00 -1.26 -5.18 105.19 102.49 1b8t n GLY 78 Ca -0.07 0.55 -0.13 0.00 0.00 0.00 0.00 46.02 46.38 1b8t n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b8t s THR 79 N 0.00 -0.01 0.14 2.61 2.01 -1.26 -5.16 115.64 113.97 1b8t s THR 79 Ca 0.00 0.03 -0.25 0.00 0.31 0.00 0.00 61.69 61.78 1b8t s THR 79 Cb 0.00 -0.43 0.07 0.00 0.01 0.00 0.00 72.50 72.15 1b8t s THR 79 CO 0.00 0.01 0.91 -0.22 -0.69 0.00 0.00 174.62 174.63 1b8t s LEU 80 N 0.40 -0.24 -0.30 4.42 2.96 -1.26 -5.17 118.68 119.50 1b8t s LEU 80 Ca -0.02 -0.34 -0.18 0.00 -0.22 0.00 0.00 54.13 53.38 1b8t s LEU 80 Cb -0.04 2.21 0.18 0.00 0.50 0.00 0.00 46.19 49.05 1b8t s LEU 80 CO -0.02 -0.90 1.18 -0.94 -1.32 0.00 0.00 176.35 174.35 1b8t s SER 81 N -2.85 -0.25 -0.29 3.68 1.04 -1.26 -5.17 113.70 108.60 1b8t s SER 81 Ca 0.10 0.35 -0.24 0.00 0.48 0.00 0.00 55.95 56.65 1b8t s SER 81 Cb -0.02 1.27 0.15 0.00 0.10 0.00 0.00 66.02 67.52 1b8t s SER 81 CO 0.00 -0.05 1.15 0.28 0.98 0.00 0.00 173.24 175.60 1b8t s THR 82 N 2.07 0.00 -0.30 2.02 -1.32 -1.26 -5.15 115.64 111.70 1b8t s THR 82 Ca -0.02 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.35 1b8t s THR 82 Cb -0.03 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.14 1b8t s THR 82 CO -0.16 0.00 0.99 1.51 -2.21 0.00 0.00 174.62 174.75 1b8t s ASP 83 N 0.34 -0.57 -0.20 8.08 1.47 -1.26 -5.17 116.67 119.36 1b8t s ASP 83 Ca 0.02 0.38 -0.27 0.00 1.18 0.00 0.00 52.55 53.86 1b8t s ASP 83 Cb -0.05 1.49 0.10 0.00 -0.34 0.00 0.00 42.92 44.13 1b8t s ASP 83 CO -0.10 -0.11 0.89 -1.59 0.68 0.00 0.00 175.17 174.94 1b8t s LYS 84 N 2.91 0.70 0.00 2.11 -2.85 -1.26 -5.16 119.74 116.19 1b8t s LYS 84 Ca 0.02 0.51 0.00 0.00 -1.00 0.00 0.00 55.97 55.49 1b8t s LYS 84 Cb -0.11 0.34 0.00 0.00 -2.06 0.00 0.00 37.83 36.00 1b8t s LYS 84 CO -0.13 -0.15 0.00 0.41 0.10 0.00 0.00 175.35 175.58 1b8t n GLY 85 N 1.69 2.01 3.57 0.59 0.00 -1.26 -5.19 105.19 106.60 1b8t n GLY 85 Ca -0.13 0.27 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 1b8t n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1b8t s GLU 86 N 0.00 0.83 -0.29 1.61 2.56 -1.26 -5.18 118.70 116.97 1b8t s GLU 86 Ca 0.00 -0.35 -0.23 0.00 0.00 0.00 0.00 54.97 54.39 1b8t s GLU 86 Cb 0.00 0.35 0.17 0.00 2.00 0.00 0.00 34.13 36.65 1b8t s GLU 86 CO 0.00 -0.37 1.27 0.45 -0.56 0.00 0.00 175.26 176.06 1b8t s SER 87 N -2.56 -0.20 -0.20 -1.70 0.15 -1.26 -5.18 113.70 102.75 1b8t s SER 87 Ca 0.07 0.37 -0.32 0.00 0.70 0.00 0.00 55.95 56.77 1b8t s SER 87 Cb -0.01 0.51 0.15 0.00 -1.71 0.00 0.00 66.02 64.96 1b8t s SER 87 CO -0.06 -0.06 1.18 -0.22 1.20 0.00 0.00 173.24 175.28 1b8t s LEU 88 N 0.31 -0.17 0.00 3.45 2.96 -1.26 -5.15 118.68 118.81 1b8t s LEU 88 Ca 0.03 0.10 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 1b8t s LEU 88 Cb -0.05 1.45 0.00 0.00 0.50 0.00 0.00 46.19 48.09 1b8t s LEU 88 CO -0.12 -0.23 0.00 0.61 -1.32 0.00 0.00 176.35 175.29 1b8t n GLY 89 N 0.23 3.14 3.55 7.98 0.00 -1.26 -5.18 105.19 113.66 1b8t n GLY 89 Ca -0.02 -0.37 -0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.16 0.13 -0.61 2.07 -1.26 -5.18 121.20 116.20 1b8t s ILE 90 Ca 0.00 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.29 1b8t s ILE 90 Cb 0.00 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 1b8t s ILE 90 CO 0.00 0.00 -0.12 -0.54 -1.91 0.00 0.00 174.94 172.37 1b8t s LYS 91 N 1.68 1.02 0.29 3.50 1.02 -1.26 -5.16 119.74 120.82 1b8t s LYS 91 Ca -0.07 -1.31 0.02 0.00 0.02 0.00 0.00 55.97 54.64 1b8t s LYS 91 Cb -0.04 -0.76 -0.06 0.00 -0.52 0.00 0.00 37.83 36.46 1b8t s LYS 91 CO -0.15 0.13 0.08 0.71 -0.92 0.00 0.00 175.35 175.19 1b8t s TYR 92 N -2.61 1.73 0.09 3.18 2.02 -1.26 -5.17 117.35 115.33 1b8t s TYR 92 Ca 0.11 -1.09 0.04 0.00 -0.37 0.00 0.00 57.07 55.77 1b8t s TYR 92 Cb -0.02 -1.07 -0.03 0.00 -0.40 0.00 0.00 41.96 40.44 1b8t s TYR 92 CO 0.02 -0.19 -0.12 -1.21 -1.57 0.00 0.00 175.55 172.48 1b8t s GLU 93 N -3.97 0.84 -0.18 -0.62 2.02 -1.26 -5.15 118.70 110.38 1b8t s GLU 93 Ca 0.37 -1.06 -0.20 0.00 0.02 0.00 0.00 54.97 54.10 1b8t s GLU 93 Cb 0.08 -0.67 0.05 0.00 0.10 0.00 0.00 34.13 33.69 1b8t s GLU 93 CO 0.15 0.13 0.54 -2.00 0.02 0.00 0.00 175.26 174.09 1b8t s GLU 94 N -2.30 0.67 0.00 1.61 2.56 -1.26 -5.14 118.70 114.84 1b8t s GLU 94 Ca 0.02 0.64 0.00 0.00 0.00 0.00 0.00 54.97 55.63 1b8t s GLU 94 Cb -0.06 0.32 0.00 0.00 2.00 0.00 0.00 34.13 36.39 1b8t s GLU 94 CO 0.01 -0.10 0.00 0.41 -0.56 0.00 0.00 175.26 175.02 1b8t n GLY 95 N 2.52 2.68 3.26 -1.50 0.00 -1.26 -5.19 105.19 105.69 1b8t n GLY 95 Ca -0.15 0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1b8t n GLY 95 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b8t s GLN 96 N -0.41 0.88 0.21 1.61 -0.21 -1.26 -5.18 119.66 115.30 1b8t s GLN 96 Ca 0.00 -0.65 -0.03 0.00 0.02 0.00 0.00 55.36 54.70 1b8t s GLN 96 Cb 0.00 0.38 -0.03 0.00 1.00 0.00 0.00 33.01 34.35 1b8t s GLN 96 CO 0.00 -0.30 0.20 -1.54 -2.12 0.00 0.00 175.29 171.53 1b8t s SER 97 N -2.41 0.18 0.18 5.90 1.04 -1.26 -5.18 113.70 112.15 1b8t s SER 97 Ca -0.01 -1.33 -0.24 0.00 0.48 0.00 0.00 55.95 54.85 1b8t s SER 97 Cb 0.01 0.42 0.05 0.00 0.10 0.00 0.00 66.02 66.61 1b8t s SER 97 CO -0.07 -0.90 0.88 -1.38 0.98 0.00 0.00 173.24 172.75 1b8t s HIS 98 N -4.10 -0.17 -0.34 5.02 -3.43 -1.26 -5.14 115.29 105.87 1b8t s HIS 98 Ca 0.36 -0.17 0.03 0.00 -0.80 0.00 0.00 55.06 54.48 1b8t s HIS 98 Cb 0.06 0.65 0.19 0.00 -1.43 0.00 0.00 32.58 32.05 1b8t s HIS 98 CO 0.12 -0.93 0.71 0.50 -2.00 0.00 0.00 174.74 173.14 1b8t s ARG 99 N -3.46 0.57 1.02 -0.38 3.52 -1.26 -5.17 118.95 113.79 1b8t s ARG 99 Ca 0.11 0.12 -0.16 0.00 -0.13 0.00 0.00 55.73 55.68 1b8t s ARG 99 Cb -0.03 0.14 0.20 0.00 -1.56 0.00 0.00 34.95 33.71 1b8t s ARG 99 CO 0.03 -0.92 1.19 -1.25 -0.81 0.00 0.00 175.30 173.53 1b8t s PRO 100 N 2.37 0.24 0.09 5.12 0.04 -1.26 -5.09 135.00 136.52 1b8t s PRO 100 Ca 0.15 -0.05 0.08 0.00 0.04 0.00 0.00 61.00 61.22 1b8t s PRO 100 Cb -0.05 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.69 1b8t s PRO 100 CO -0.17 -2.74 -0.21 -0.08 0.04 0.00 0.00 177.00 173.84 1b8t s THR 101 N -3.40 1.68 -0.37 1.26 -1.32 -1.26 -5.10 115.64 107.13 1b8t s THR 101 Ca 0.69 -1.48 -0.27 0.00 -1.21 0.00 0.00 61.69 59.42 1b8t s THR 101 Cb -0.10 -1.52 0.02 0.00 -1.51 0.00 0.00 72.50 69.39 1b8t s THR 101 CO 0.54 -0.03 0.99 0.20 -2.21 0.00 0.00 174.62 174.12 1b8t s ASN 102 N -1.79 6.74 0.95 8.08 0.01 -1.26 -5.03 114.94 122.65 1b8t s ASN 102 Ca 0.06 0.70 -0.14 0.00 -0.71 0.00 0.00 52.86 52.77 1b8t s ASN 102 Cb -0.10 -2.50 0.16 0.00 0.41 0.00 0.00 41.25 39.23 1b8t s ASN 102 CO 0.04 -0.91 1.16 -2.16 -1.51 0.00 0.00 177.10 173.71 1b8t s PRO 103 N 3.64 0.79 -0.01 -0.60 0.04 -1.26 -5.09 135.00 132.50 1b8t s PRO 103 Ca 0.41 0.15 -0.15 0.00 0.04 0.00 0.00 61.00 61.46 1b8t s PRO 103 Cb -0.11 -1.81 0.02 0.00 0.04 0.00 0.00 34.50 32.64 1b8t s PRO 103 CO 0.19 -2.41 0.32 0.54 0.04 0.00 0.00 177.00 175.68 1b8t s ASN 104 N -4.12 -0.20 0.27 6.66 4.22 -1.26 -5.17 114.94 115.33 1b8t s ASN 104 Ca 0.66 0.10 -0.08 0.00 -2.14 0.00 0.00 52.86 51.40 1b8t s ASN 104 Cb -0.13 0.32 -0.01 0.00 1.28 0.00 0.00 41.25 42.71 1b8t s ASN 104 CO 0.54 -0.45 0.43 0.00 -2.04 0.00 0.00 177.10 175.57 1b8t s ALA 105 N -1.33 0.28 0.20 3.54 0.00 -1.26 -5.19 121.76 118.00 1b8t s ALA 105 Ca -0.13 -1.20 -0.01 0.00 0.00 0.00 0.00 51.96 50.61 1b8t s ALA 105 Cb -0.05 1.14 -0.04 0.00 0.00 0.00 0.00 23.12 24.17 1b8t s ALA 105 CO 0.04 -0.80 0.14 -1.12 0.00 0.00 0.00 175.76 174.03 1b8t s SER 106 N -3.11 0.18 0.24 0.00 0.01 -1.26 -5.18 113.70 104.58 1b8t s SER 106 Ca 0.27 -1.39 0.06 0.00 1.31 0.00 0.00 55.95 56.20 1b8t s SER 106 Cb 0.01 0.39 -0.05 0.00 0.21 0.00 0.00 66.02 66.57 1b8t s SER 106 CO 0.13 -0.85 -0.06 0.00 0.41 0.00 0.00 173.24 172.87 1b8t s ARG 107 N -4.14 1.41 -0.29 12.44 1.04 -1.26 -5.15 118.95 122.99 1b8t s ARG 107 Ca 0.39 -1.69 -0.19 0.00 -1.04 0.00 0.00 55.73 53.20 1b8t s ARG 107 Cb 0.07 -0.94 0.15 0.00 -2.04 0.00 0.00 34.95 32.18 1b8t s ARG 107 CO 0.12 0.03 1.05 0.00 -0.04 0.00 0.00 175.30 176.46 1b8t s MET 108 N -3.75 0.36 0.44 3.89 0.23 -1.26 -5.18 119.30 114.02 1b8t s MET 108 Ca 0.27 0.54 0.07 0.00 -1.03 0.00 0.00 55.69 55.54 1b8t s MET 108 Cb 0.03 0.11 -0.02 0.00 -1.53 0.00 0.00 34.83 33.42 1b8t s MET 108 CO 0.09 -0.06 0.30 0.00 -2.03 0.00 0.00 175.02 173.32 1b8t s ALA 109 N 0.91 3.94 -0.28 3.16 0.00 -1.26 -5.14 121.76 123.09 1b8t s ALA 109 Ca -0.04 -1.86 -0.21 0.00 0.00 0.00 0.00 51.96 49.84 1b8t s ALA 109 Cb -0.04 -0.71 0.08 0.00 0.00 0.00 0.00 23.12 22.46 1b8t s ALA 109 CO -0.12 -0.24 0.76 -1.14 0.00 0.00 0.00 175.76 175.02 1b8t s GLN 110 N -4.06 0.72 0.01 0.00 2.00 -1.26 -5.17 119.66 111.90 1b8t s GLN 110 Ca 0.43 1.02 0.05 0.00 -2.00 0.00 0.00 55.36 54.86 1b8t s GLN 110 Cb -0.00 0.27 -0.01 0.00 0.80 0.00 0.00 33.01 34.06 1b8t s GLN 110 CO 0.24 -0.11 -0.14 0.15 -0.50 0.00 0.00 175.29 174.93 1b8t s LYS 111 N 0.92 1.06 -0.02 1.67 3.01 -1.26 -5.14 119.74 119.97 1b8t s LYS 111 Ca -0.04 -0.60 0.01 0.00 -1.01 0.00 0.00 55.97 54.33 1b8t s LYS 111 Cb -0.05 -1.04 0.01 0.00 -1.01 0.00 0.00 37.83 35.74 1b8t s LYS 111 CO -0.09 0.28 -0.04 0.14 0.51 0.00 0.00 175.35 176.15 1b8t s VAL 112 N -0.52 0.37 0.42 3.17 -7.23 -1.26 -5.16 120.40 110.19 1b8t s VAL 112 Ca 0.04 -0.11 0.07 0.00 -1.81 0.00 0.00 61.98 60.17 1b8t s VAL 112 Cb -0.06 -0.37 -0.04 0.00 0.56 0.00 0.00 36.38 36.46 1b8t s VAL 112 CO 0.00 0.15 0.26 -0.83 -0.31 0.00 0.00 175.10 174.36 1b8t s GLY 113 N 0.43 2.27 -0.22 2.32 0.00 -1.26 -5.15 107.32 105.71 1b8t s GLY 113 Ca -0.05 -2.02 -0.27 0.00 0.00 0.00 0.00 44.72 42.38 1b8t s GLY 113 CO -0.00 -1.84 1.00 -0.32 0.00 0.00 0.00 173.10 171.94 1b8t s GLY 114 N -3.99 -0.22 0.84 0.20 0.00 -1.26 -5.16 107.32 97.73 1b8t s GLY 114 Ca 0.44 2.36 -0.10 0.00 0.00 0.00 0.00 44.72 47.41 1b8t s GLY 114 CO 0.24 1.47 1.11 -1.35 0.00 0.00 0.00 173.10 174.58 1b8t s SER 115 N -0.38 3.76 0.00 1.64 1.04 -1.26 -5.03 113.70 113.47 1b8t s SER 115 Ca 0.01 1.97 0.00 0.00 0.48 0.00 0.00 55.95 58.41 1b8t s SER 115 Cb -0.03 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.56 1b8t s SER 115 CO -0.02 -2.54 0.00 -0.67 0.98 0.00 0.00 173.24 170.99 1b8t n ASP 116 N -3.85 0.00 -4.08 7.02 4.64 -0.56 -5.06 116.55 114.65 1b8t n ASP 116 Ca 0.10 0.00 -0.15 0.00 -1.38 0.00 0.00 54.79 53.36 1b8t n ASP 116 Cb 0.53 0.00 -0.10 0.00 -1.04 0.00 0.00 41.12 40.51 1b8t n ASP 116 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 1b8t s GLY 117 N 0.00 1.73 -0.43 0.27 0.00 -1.26 -0.25 107.32 107.38 1b8t s GLY 117 Ca 0.00 -1.79 -0.15 0.00 0.00 0.00 0.00 44.72 42.79 1b8t s GLY 117 CO 0.00 -1.49 0.33 0.00 0.00 0.00 0.00 173.10 171.94 1b8t n PRO 119 N 5.15 0.75 0.00 0.00 -0.04 -1.26 0.31 135.00 139.91 1b8t n PRO 119 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1b8t n PRO 119 Cb 0.45 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 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 -0.97 0.00 0.09 0.54 0.00 -1.26 -4.61 116.66 110.44 1b8t n ARG 120 Ca 0.17 0.15 -0.06 0.00 -0.00 0.00 0.00 57.85 58.10 1b8t n ARG 120 Cb 0.08 -0.63 -0.03 0.00 0.00 0.00 0.00 32.46 31.88 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 0.99 0.98 3.53 0.00 0.00 0.15 -5.08 105.19 105.76 1b8t n GLY 122 Ca -0.01 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.89 3.23 0.78 1.61 -0.21 -1.13 -4.81 119.66 118.24 1b8t s GLN 123 Ca 0.00 -0.54 -0.16 0.00 0.02 0.00 0.00 55.36 54.68 1b8t s GLN 123 Cb 0.00 -2.75 -0.09 0.00 1.00 0.00 0.00 33.01 31.17 1b8t s GLN 123 CO 0.00 0.44 -0.03 0.00 -2.12 0.00 0.00 175.29 173.58 1b8t n ALA 124 N 2.92 -3.17 -3.79 6.09 0.00 -1.26 0.09 120.51 121.38 1b8t n ALA 124 Ca -0.18 -0.37 -0.24 0.00 0.00 0.00 0.00 53.44 52.66 1b8t n ALA 124 Cb 0.53 -1.53 -0.17 0.00 0.00 0.00 0.00 19.45 18.27 1b8t n ALA 124 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1b8t s VAL 125 N -2.02 0.54 0.15 0.00 1.01 0.65 -4.48 120.40 116.26 1b8t s VAL 125 Ca 0.55 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1b8t s VAL 125 Cb -0.32 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.41 1b8t s VAL 125 CO 0.68 0.28 0.00 0.00 0.00 0.00 0.00 175.10 176.07 1b8t n TYR 126 N 5.02 -3.10 -0.48 5.22 9.36 -1.26 -1.50 117.16 130.42 1b8t n TYR 126 Ca -0.10 0.53 0.00 0.00 3.32 0.00 0.00 57.90 61.66 1b8t n TYR 126 Cb 0.50 1.63 0.00 0.00 -0.63 0.00 0.00 39.34 40.84 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 -2.80 0.00 -1.36 2.98 0.00 -1.26 -4.80 120.51 113.28 1b8t n ALA 127 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1b8t n ALA 127 Cb 0.00 0.00 -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 -3.00 -2.64 -1.90 0.00 0.00 -1.26 -3.52 120.51 108.19 1b8t n ALA 128 Ca 0.00 0.21 -0.03 0.00 0.00 0.00 0.00 53.44 53.63 1b8t n ALA 128 Cb 0.00 -1.57 0.01 0.00 0.00 0.00 0.00 19.45 17.89 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 1.11 -0.56 -3.85 0.00 2.13 -1.26 -5.02 120.64 113.18 1b8t n GLU 129 Ca 0.13 0.15 -0.30 0.00 0.66 0.00 0.00 57.16 57.80 1b8t n GLU 129 Cb 0.36 -2.43 -0.15 0.00 0.27 0.00 0.00 31.44 29.49 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 -3.47 1.23 0.18 5.31 2.20 -1.23 -3.84 119.74 120.12 1b8t s LYS 130 Ca 0.06 -1.71 -0.00 0.00 -0.36 0.00 0.00 55.97 53.96 1b8t s LYS 130 Cb -0.01 -2.63 -0.04 0.00 -1.51 0.00 0.00 37.83 33.64 1b8t s LYS 130 CO 0.13 -1.02 0.36 0.54 -0.36 0.00 0.00 175.35 175.00 1b8t s VAL 131 N 0.91 5.24 -0.13 4.02 0.11 0.10 -4.87 120.40 125.79 1b8t s VAL 131 Ca 0.12 -0.40 -0.02 0.00 -2.93 0.00 0.00 61.98 58.75 1b8t s VAL 131 Cb -0.20 -3.72 0.04 0.00 -1.53 0.00 0.00 36.38 30.97 1b8t s VAL 131 CO -0.12 -0.12 0.02 -0.63 -3.33 0.00 0.00 175.10 170.92 1b8t s ILE 132 N -1.80 0.42 0.03 7.04 1.09 -1.26 -1.18 121.20 125.54 1b8t s ILE 132 Ca 0.38 -0.17 -0.12 0.00 -1.10 0.00 0.00 60.65 59.64 1b8t s ILE 132 Cb -0.11 -0.74 0.01 0.00 -1.06 0.00 0.00 42.46 40.56 1b8t s ILE 132 CO 0.29 0.05 0.26 -0.83 -0.10 0.00 0.00 174.94 174.61 1b8t s GLY 133 N 1.93 -0.07 -1.42 6.18 0.00 0.72 -4.90 107.32 109.76 1b8t s GLY 133 Ca 0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 44.72 44.71 1b8t s GLY 133 CO -0.07 -0.23 0.38 0.00 0.00 0.00 0.00 173.10 173.18 1b8t n ALA 134 N 0.77 -2.00 -4.17 3.20 0.00 -1.26 0.26 120.51 117.30 1b8t n ALA 134 Ca -0.19 -0.28 -0.35 0.00 0.00 0.00 0.00 53.44 52.62 1b8t n ALA 134 Cb 0.58 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 1b8t n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b8t n GLY 135 N -2.03 -0.42 3.41 0.00 0.00 -1.26 -4.85 105.19 100.04 1b8t n GLY 135 Ca -0.31 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 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 -6.87 1.35 -0.02 1.61 1.02 0.14 -5.17 119.74 111.80 1b8t s LYS 136 Ca 0.64 -1.36 0.04 0.00 0.02 0.00 0.00 55.97 55.31 1b8t s LYS 136 Cb -0.35 0.38 -0.01 0.00 -0.52 0.00 0.00 37.83 37.34 1b8t s LYS 136 CO 0.92 -0.51 -0.14 0.45 -0.92 0.00 0.00 175.35 175.14 1b8t s SER 137 N -3.05 1.75 0.29 2.83 0.15 -1.26 -0.20 113.70 114.20 1b8t s SER 137 Ca 0.27 -0.28 -0.15 0.00 0.70 0.00 0.00 55.95 56.49 1b8t s SER 137 Cb 0.03 -0.34 0.01 0.00 -1.71 0.00 0.00 66.02 64.01 1b8t s SER 137 CO 0.08 0.15 0.60 0.26 1.20 0.00 0.00 173.24 175.53 1b8t s TRP 138 N -0.12 0.23 -0.21 3.44 0.52 -0.32 -4.12 118.94 118.35 1b8t s TRP 138 Ca 0.01 -0.65 -0.29 0.00 0.02 0.00 0.00 56.10 55.19 1b8t s TRP 138 Cb -0.08 0.42 -0.00 0.00 -1.15 0.00 0.00 33.47 32.66 1b8t s TRP 138 CO 0.00 -1.17 1.18 -1.01 0.02 0.00 0.00 176.95 175.97 1b8t s HIS 139 N -3.65 3.02 0.58 -1.98 3.76 -1.26 0.01 115.29 115.78 1b8t s HIS 139 Ca 0.19 1.17 0.34 0.00 -0.15 0.00 0.00 55.06 56.61 1b8t s HIS 139 Cb -0.03 -3.47 1.33 0.00 1.11 0.00 0.00 32.58 31.52 1b8t s HIS 139 CO 0.10 -1.22 1.57 -0.22 -0.85 0.00 0.00 174.74 174.11 1b8t h LYS 140 N 8.03 0.00 0.10 1.40 3.11 -1.89 1.10 116.57 128.42 1b8t h LYS 140 Ca -0.23 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.60 1b8t h LYS 140 Cb 1.08 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.32 1b8t h LYS 140 CO 0.98 0.00 -0.05 1.03 -2.81 0.00 0.00 179.45 178.61 1b8t h SER 141 N 0.00 -0.11 0.54 4.20 0.87 -1.88 -3.35 113.55 113.82 1b8t h SER 141 Ca 0.55 -0.41 -0.03 0.00 -1.23 0.00 0.00 61.79 60.67 1b8t h SER 141 Cb 2.66 0.03 0.01 0.00 -0.44 0.00 0.00 62.40 64.65 1b8t h SER 141 CO -0.01 0.39 -0.26 0.00 -0.53 0.00 0.00 176.83 176.42 1b8t n PHE 143 N -5.26 0.30 -4.10 0.00 7.35 0.18 -4.84 117.46 111.09 1b8t n PHE 143 Ca -0.09 0.20 -0.14 0.00 -0.76 0.00 0.00 57.45 56.66 1b8t n PHE 143 Cb 0.29 -1.40 -0.13 0.00 0.35 0.00 0.00 39.48 38.59 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 6.71 0.43 -0.09 -4.13 1.70 -1.26 -1.49 118.95 120.81 1b8t s ARG 144 Ca 1.09 -0.39 -0.41 0.00 -0.47 0.00 0.00 55.73 55.55 1b8t s ARG 144 Cb -0.90 -0.32 -0.19 0.00 -0.57 0.00 0.00 34.95 32.97 1b8t s ARG 144 CO 0.42 0.08 1.25 0.00 -1.08 0.00 0.00 175.30 175.97 1b8t n ALA 146 N 2.35 4.36 0.00 0.00 0.00 -0.41 -0.19 120.51 126.62 1b8t n ALA 146 Ca 0.22 -1.44 0.00 0.00 0.00 0.00 0.00 53.44 52.22 1b8t n ALA 146 Cb 0.08 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 -0.02 0.00 -0.00 0.00 3.00 -1.26 -4.86 118.16 115.02 1b8t n LYS 147 Ca 0.28 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.65 1b8t n LYS 147 Cb 0.87 -0.32 -0.08 0.00 0.00 0.00 0.00 35.03 35.50 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 1.70 0.51 3.64 0.00 0.00 0.73 -4.99 105.19 106.78 1b8t n GLY 149 Ca -0.01 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.31 4.14 0.28 1.61 2.20 -1.24 -4.63 119.74 120.78 1b8t s LYS 150 Ca 0.00 1.04 -0.30 0.00 -0.36 0.00 0.00 55.97 56.35 1b8t s LYS 150 Cb 0.00 -3.68 -0.13 0.00 -1.51 0.00 0.00 37.83 32.51 1b8t s LYS 150 CO 0.00 -0.68 1.35 -1.13 -0.36 0.00 0.00 175.35 174.53 1b8t n SER 151 N 6.37 2.73 -3.52 1.43 3.41 -1.26 -0.54 113.62 122.23 1b8t n SER 151 Ca 0.09 1.17 -0.10 0.00 -0.26 0.00 0.00 58.87 59.77 1b8t n SER 151 Cb 0.47 -1.45 0.04 0.00 -0.26 0.00 0.00 64.21 63.01 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 1.57 0.00 0.00 1.04 4.77 -0.56 -4.82 117.00 119.01 1b8t n LEU 152 Ca 0.09 -1.29 0.00 0.00 -0.03 0.00 0.00 56.01 54.77 1b8t n LEU 152 Cb 0.33 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1b8t n LEU 152 CO 0.62 -0.62 0.00 1.21 -1.33 0.00 0.00 177.39 177.28 1b8t n GLU 153 N -1.67 0.00 -0.40 3.23 2.13 -1.26 -4.81 120.64 117.86 1b8t n GLU 153 Ca 0.09 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.62 1b8t n GLU 153 Cb 0.31 0.00 0.26 0.00 0.27 0.00 0.00 31.44 32.28 1b8t n GLU 153 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1b8t n SER 154 N -1.42 -2.91 -2.34 4.31 7.64 -1.26 -4.78 113.62 112.86 1b8t n SER 154 Ca 0.00 -0.47 -0.19 0.00 1.01 0.00 0.00 58.87 59.22 1b8t n SER 154 Cb 0.00 -1.09 -0.13 0.00 -1.01 0.00 0.00 64.21 61.98 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 -5.26 3.35 -2.20 0.44 -1.04 -1.26 -4.07 114.28 104.24 1b8t n THR 155 Ca 0.06 -1.79 -0.04 0.00 -2.04 0.00 0.00 64.05 60.24 1b8t n THR 155 Cb 0.56 -2.16 0.08 0.00 -1.82 0.00 0.00 70.33 66.99 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 2.77 1.60 -3.17 12.58 -2.24 -1.26 -5.07 114.28 119.49 1b8t n THR 156 Ca 0.52 -2.96 -0.20 0.00 -2.27 0.00 0.00 64.05 59.15 1b8t n THR 156 Cb 0.74 0.13 0.01 0.00 -2.10 0.00 0.00 70.33 69.11 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 -2.76 3.76 -0.30 3.22 0.05 -1.26 -1.15 118.68 120.24 1b8t s LEU 157 Ca 0.38 -0.05 -0.00 0.00 0.05 0.00 0.00 54.13 54.51 1b8t s LEU 157 Cb 0.37 -2.88 0.09 0.00 -2.05 0.00 0.00 46.19 41.73 1b8t s LEU 157 CO -0.05 -0.63 0.08 0.00 -0.55 0.00 0.00 176.35 175.19 1b8t s ALA 158 N -2.38 1.69 -0.66 1.48 0.00 0.15 -4.58 121.76 117.46 1b8t s ALA 158 Ca 0.49 -1.67 -0.21 0.00 0.00 0.00 0.00 51.96 50.56 1b8t s ALA 158 Cb -0.10 -1.61 0.09 0.00 0.00 0.00 0.00 23.12 21.49 1b8t s ALA 158 CO 0.34 -1.59 0.90 0.16 0.00 0.00 0.00 175.76 175.57 1b8t s ASP 159 N 1.53 6.22 -1.30 0.00 -4.77 -1.26 -0.06 116.67 117.04 1b8t s ASP 159 Ca 0.08 -1.23 -0.16 0.00 -3.30 0.00 0.00 52.55 47.94 1b8t s ASP 159 Cb -0.18 -2.38 0.09 0.00 -1.09 0.00 0.00 42.92 39.37 1b8t s ASP 159 CO -0.20 -1.31 1.74 1.17 0.70 0.00 0.00 175.17 177.27 1b8t n LYS 160 N 7.17 3.21 0.00 2.11 4.81 0.15 -4.71 118.16 130.90 1b8t n LYS 160 Ca -0.03 -3.33 0.00 0.00 -0.87 0.00 0.00 58.31 54.08 1b8t n LYS 160 Cb 0.45 -3.36 0.00 0.00 0.02 0.00 0.00 35.03 32.14 1b8t n LYS 160 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1b8t n ASP 161 N 7.39 0.00 0.00 3.14 2.03 -1.26 -1.06 116.55 126.78 1b8t n ASP 161 Ca 0.46 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.77 1b8t n ASP 161 Cb 0.44 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 1b8t n ASP 161 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b8t n GLY 162 N 0.00 0.00 3.83 0.27 0.00 -1.26 -4.81 105.19 103.22 1b8t n GLY 162 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.82 2.25 -0.01 1.61 2.02 -0.23 -4.96 118.70 117.56 1b8t s GLU 163 Ca 0.00 0.55 0.01 0.00 0.02 0.00 0.00 54.97 55.55 1b8t s GLU 163 Cb 0.00 -1.94 -0.00 0.00 0.10 0.00 0.00 34.13 32.28 1b8t s GLU 163 CO 0.00 -1.48 -0.04 0.96 0.02 0.00 0.00 175.26 174.72 1b8t s ILE 164 N -3.24 0.32 0.15 -1.63 -4.36 -1.26 0.32 121.20 111.50 1b8t s ILE 164 Ca 0.60 -0.16 -0.02 0.00 -0.26 0.00 0.00 60.65 60.81 1b8t s ILE 164 Cb -0.13 -0.29 0.01 0.00 1.25 0.00 0.00 42.46 43.30 1b8t s ILE 164 CO 0.53 0.10 0.22 -1.22 0.24 0.00 0.00 174.94 174.81 1b8t n TYR 165 N 3.06 -0.97 -3.84 1.37 4.01 0.91 -1.29 117.16 120.42 1b8t n TYR 165 Ca -0.14 -0.91 -0.34 0.00 -0.16 0.00 0.00 57.90 56.35 1b8t n TYR 165 Cb 0.58 0.25 -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 4.03 0.49 -0.07 0.00 3.64 -1.38 1.56 116.57 124.84 1b8t h LYS 167 Ca -0.50 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 58.87 1b8t h LYS 167 Cb 1.20 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1b8t h LYS 167 CO 0.66 0.33 0.06 0.78 -2.27 0.00 0.00 179.45 179.01 1b8t h GLY 168 N 0.51 0.00 0.16 5.01 0.00 -1.94 0.43 103.07 107.25 1b8t h GLY 168 Ca 0.67 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.88 1b8t h GLY 168 CO -0.51 0.00 -0.59 0.00 0.00 0.00 0.00 176.54 175.44 1b8t h TYR 170 N -0.83 0.36 0.00 0.00 3.20 -0.24 0.44 116.97 119.91 1b8t h TYR 170 Ca -0.14 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.74 1b8t h TYR 170 Cb 1.26 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.41 1b8t h TYR 170 CO 0.21 0.20 -0.11 0.00 -1.64 0.00 0.00 178.16 176.82 1b8t h ALA 171 N 1.76 0.00 -0.20 1.82 0.00 -0.25 -3.25 119.26 119.14 1b8t h ALA 171 Ca 0.19 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1b8t h ALA 171 Cb 0.28 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1b8t h ALA 171 CO -0.04 0.11 -0.42 0.87 0.00 0.00 0.00 179.25 179.77 1b8t h LYS 172 N -0.80 -0.36 -1.18 0.00 1.57 -1.01 0.52 116.57 115.32 1b8t h LYS 172 Ca 0.00 0.02 0.44 0.00 -1.87 0.00 0.00 60.65 59.25 1b8t h LYS 172 Cb 0.11 0.08 -0.16 0.00 0.08 0.00 0.00 32.23 32.35 1b8t h LYS 172 CO 0.00 -0.24 0.71 -1.71 -0.57 0.00 0.00 179.45 177.63 1b8t n ASN 173 N -4.73 0.27 -2.86 0.86 2.85 0.16 0.28 115.26 112.08 1b8t n ASN 173 Ca -0.04 1.49 -0.27 0.00 -0.11 0.00 0.00 54.58 55.66 1b8t n ASN 173 Cb 0.27 -0.73 -0.03 0.00 1.24 0.00 0.00 39.78 40.53 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 -4.94 3.86 -3.68 1.20 3.72 0.16 -5.06 117.46 112.71 1b8t n PHE 174 Ca 0.39 -3.84 -0.22 0.00 -0.05 0.00 0.00 57.45 53.73 1b8t n PHE 174 Cb 1.41 -0.42 -0.03 0.00 -0.94 0.00 0.00 39.48 39.50 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 -3.47 2.19 -0.95 1.37 0.00 0.14 -4.81 107.32 101.81 1b8t s GLY 175 Ca 0.49 -1.83 -0.24 0.00 0.00 0.00 0.00 44.72 43.14 1b8t s GLY 175 CO -0.15 -1.77 1.69 2.56 0.00 0.00 0.00 173.10 175.43 1b8t s PRO 176 N -4.14 3.08 -0.29 2.90 0.04 -1.26 -4.84 135.00 130.49 1b8t s PRO 176 Ca 0.45 -0.67 -0.25 0.00 0.04 0.00 0.00 61.00 60.57 1b8t s PRO 176 Cb -0.02 -5.17 0.17 0.00 0.04 0.00 0.00 34.50 29.52 1b8t s PRO 176 CO 0.26 -2.76 1.29 0.15 0.04 0.00 0.00 177.00 175.99 1b8t s LYS 177 N 5.99 0.22 0.00 4.56 1.02 -1.26 -5.14 119.74 125.13 1b8t s LYS 177 Ca 0.57 0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.80 1b8t s LYS 177 Cb -0.04 0.11 0.00 0.00 -0.52 0.00 0.00 37.83 37.38 1b8t s LYS 177 CO -0.04 -0.03 0.00 0.41 -0.92 0.00 0.00 175.35 174.77 1b8t n GLY 178 N 1.71 1.56 3.16 -3.33 0.00 -1.26 -5.11 105.19 101.92 1b8t n GLY 178 Ca -0.10 -0.96 0.05 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 -0.71 -0.27 1.61 0.08 -1.26 -5.16 117.98 112.27 1b8t s PHE 179 Ca 0.00 0.79 -0.17 0.00 0.12 0.00 0.00 56.93 57.67 1b8t s PHE 179 Cb 0.00 0.26 0.08 0.00 -0.57 0.00 0.00 43.02 42.79 1b8t s PHE 179 CO 0.00 -0.39 0.67 0.20 -0.10 0.00 0.00 175.22 175.60 1b8t s GLY 180 N 2.90 -0.59 0.12 4.36 0.00 -1.26 -5.17 107.32 107.69 1b8t s GLY 180 Ca 0.02 2.25 -0.25 0.00 0.00 0.00 0.00 44.72 46.74 1b8t s GLY 180 CO -0.13 2.18 0.78 -0.11 0.00 0.00 0.00 173.10 175.82 1b8t s PHE 181 N 1.32 -0.34 0.00 1.90 -0.71 -1.26 -5.16 117.98 113.73 1b8t s PHE 181 Ca -0.08 0.10 0.00 0.00 -1.04 0.00 0.00 56.93 55.91 1b8t s PHE 181 Cb -0.05 0.59 0.00 0.00 -1.21 0.00 0.00 43.02 42.35 1b8t s PHE 181 CO -0.14 -0.81 0.00 0.41 -1.34 0.00 0.00 175.22 173.34 1b8t n GLY 182 N -0.37 1.77 3.62 1.99 0.00 -1.26 -5.19 105.19 105.75 1b8t n GLY 182 Ca -0.10 0.36 -0.04 0.00 0.00 0.00 0.00 46.02 46.24 1b8t n GLY 182 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1b8t s GLN 183 N -0.12 0.74 0.00 1.61 2.00 -1.26 -5.17 119.66 117.46 1b8t s GLN 183 Ca 0.00 -0.35 0.00 0.00 -2.00 0.00 0.00 55.36 53.01 1b8t s GLN 183 Cb 0.00 0.29 0.00 0.00 0.80 0.00 0.00 33.01 34.10 1b8t s GLN 183 CO 0.00 -0.33 0.00 0.41 -0.50 0.00 0.00 175.29 174.87 1b8t n GLY 184 N -0.34 1.84 3.13 2.59 0.00 -1.26 -5.19 105.19 105.97 1b8t n GLY 184 Ca -0.06 0.39 -0.08 0.00 0.00 0.00 0.00 46.02 46.27 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 0.00 0.34 0.05 4.61 0.00 -1.26 -5.17 121.76 120.33 1b8t s ALA 185 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1b8t s ALA 185 Cb 0.00 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.48 1b8t s ALA 185 CO 0.00 -0.42 -0.04 0.20 0.00 0.00 0.00 175.76 175.49 1b8t s GLY 186 N -2.92 0.49 -0.19 0.00 0.00 -1.26 -5.16 107.32 98.28 1b8t s GLY 186 Ca 0.08 -1.07 -0.31 0.00 0.00 0.00 0.00 44.72 43.43 1b8t s GLY 186 CO -0.09 -1.16 1.14 0.00 0.00 0.00 0.00 173.10 172.99 1b8t s ALA 187 N -3.09 -2.01 -0.49 3.20 0.00 -1.26 -5.11 121.76 112.99 1b8t s ALA 187 Ca 0.02 1.63 0.06 0.00 0.00 0.00 0.00 51.96 53.66 1b8t s ALA 187 Cb 0.02 -0.70 0.21 0.00 0.00 0.00 0.00 23.12 22.65 1b8t s ALA 187 CO -0.06 -0.39 0.83 -0.11 0.00 0.00 0.00 175.76 176.03 1b8t n LEU 188 N 0.38 -3.07 -3.82 0.00 7.94 -1.26 -5.07 117.00 112.10 1b8t n LEU 188 Ca -0.05 -2.94 -0.29 0.00 -1.11 0.00 0.00 56.01 51.62 1b8t n LEU 188 Cb 0.59 0.77 -0.13 0.00 0.53 0.00 0.00 43.42 45.18 1b8t n LEU 188 CO 0.11 1.91 -0.16 -0.63 -1.11 0.00 0.00 177.39 177.52 1b8t s ILE 189 N 0.78 2.18 0.06 1.96 1.01 -1.26 -4.97 121.20 120.96 1b8t s ILE 189 Ca 0.30 -3.41 -0.30 0.00 0.00 0.00 0.00 60.65 57.24 1b8t s ILE 189 Cb 0.11 -2.48 -0.16 0.00 0.01 0.00 0.00 42.46 39.94 1b8t s ILE 189 CO -0.13 -0.94 1.46 -0.74 0.00 0.00 0.00 174.94 174.58 1b8t h HIS 190 N 6.07 -1.08 -5.83 3.97 2.76 -2.09 -3.47 115.15 115.49 1b8t h HIS 190 Ca 0.05 -0.01 -0.17 0.00 -2.20 0.00 0.00 60.37 58.04 1b8t h HIS 190 Cb 0.85 0.39 0.01 0.00 1.55 0.00 0.00 27.41 30.20 1b8t h HIS 190 CO 0.54 -0.60 -0.76 0.45 -1.30 0.00 0.00 177.93 176.26 1b8t n SER 191 N -4.95 -6.90 -0.63 3.26 2.88 -1.26 -5.35 113.62 100.67 1b8t n SER 191 Ca -0.12 0.17 0.08 0.00 -1.33 0.00 0.00 58.87 57.67 1b8t n SER 191 Cb 0.41 -3.85 0.07 0.00 -0.75 0.00 0.00 64.21 60.09 1b8t n SER 191 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48