#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 -2.08 -3.69 0.03 -0.04 -1.26 -5.10 135.00 122.86 1b8t n PRO 2 Ca 0.00 -1.78 -0.06 0.00 -0.04 0.00 0.00 63.50 61.62 1b8t n PRO 2 Cb 0.00 -1.40 -0.02 0.00 -0.04 0.00 0.00 33.50 32.04 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 -4.91 -0.28 0.12 3.54 0.01 -1.26 -5.19 114.94 106.97 1b8t s ASN 3 Ca 0.68 -0.32 -0.08 0.00 -0.71 0.00 0.00 52.86 52.42 1b8t s ASN 3 Cb -0.04 0.54 -0.01 0.00 0.41 0.00 0.00 41.25 42.15 1b8t s ASN 3 CO 0.50 -0.96 0.22 0.86 -1.51 0.00 0.00 177.10 176.21 1b8t s TRP 4 N -3.46 0.27 0.00 2.20 -0.11 -1.26 -5.17 118.94 111.41 1b8t s TRP 4 Ca 0.09 -0.67 0.00 0.00 1.22 0.00 0.00 56.10 56.74 1b8t s TRP 4 Cb -0.02 -0.07 0.00 0.00 -1.50 0.00 0.00 33.47 31.87 1b8t s TRP 4 CO -0.01 -0.61 0.00 0.41 -4.62 0.00 0.00 176.95 172.13 1b8t n GLY 5 N -0.12 3.62 0.00 5.86 0.00 -1.26 -5.20 105.19 108.10 1b8t n GLY 5 Ca -0.12 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1b8t n GLY 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b8t n GLY 6 N -1.08 1.79 0.00 -0.02 0.00 -1.26 -5.19 105.19 99.44 1b8t n GLY 6 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.84 3.59 3.98 -0.02 0.00 -1.26 -5.00 105.19 105.64 1b8t n GLY 7 Ca 0.00 -1.42 -0.23 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.43 2.09 -0.18 1.61 1.02 0.66 -4.89 119.74 117.61 1b8t s LYS 8 Ca 0.00 -0.88 -0.01 0.00 0.02 0.00 0.00 55.97 55.10 1b8t s LYS 8 Cb 0.00 -2.38 0.05 0.00 -0.52 0.00 0.00 37.83 34.98 1b8t s LYS 8 CO 0.00 -1.12 -0.03 0.15 -0.92 0.00 0.00 175.35 173.42 1b8t s LYS 9 N -5.00 1.30 -0.44 1.68 -0.14 -1.26 -0.02 119.74 115.86 1b8t s LYS 9 Ca 0.62 -0.57 -0.28 0.00 -1.36 0.00 0.00 55.97 54.38 1b8t s LYS 9 Cb -0.08 -2.11 -0.00 0.00 -1.68 0.00 0.00 37.83 33.96 1b8t s LYS 9 CO 0.42 -0.50 1.63 0.00 -0.76 0.00 0.00 175.35 176.13 1b8t n GLY 11 N 5.34 -0.98 0.03 0.00 0.00 -1.26 -0.10 105.19 108.22 1b8t n GLY 11 Ca 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.71 0.45 0.16 1.61 0.31 -1.26 -4.58 118.33 114.31 1b8t n VAL 12 Ca 0.10 0.40 0.06 0.00 -0.01 0.00 0.00 64.34 64.89 1b8t n VAL 12 Cb 0.05 -1.76 0.07 0.00 -0.91 0.00 0.00 33.84 31.29 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 -3.14 0.00 -4.78 0.00 7.27 0.86 -5.06 117.38 112.53 1b8t n GLN 14 Ca 0.02 0.09 -0.30 0.00 0.07 0.00 0.00 57.00 56.88 1b8t n GLN 14 Cb 0.65 -2.93 -0.14 0.00 2.41 0.00 0.00 30.24 30.24 1b8t n GLN 14 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1b8t s LYS 15 N -3.04 1.89 0.35 3.69 2.20 -1.05 -4.88 119.74 118.90 1b8t s LYS 15 Ca 0.00 -1.07 -0.28 0.00 -0.36 0.00 0.00 55.97 54.26 1b8t s LYS 15 Cb 0.00 -2.06 -0.10 0.00 -1.51 0.00 0.00 37.83 34.16 1b8t s LYS 15 CO 0.00 0.52 1.27 0.00 -0.36 0.00 0.00 175.35 176.78 1b8t s ALA 16 N -0.87 3.41 -0.06 3.13 0.00 -1.26 0.10 121.76 126.20 1b8t s ALA 16 Ca 0.13 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.29 1b8t s ALA 16 Cb -0.10 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 1b8t s ALA 16 CO 0.04 -0.63 -0.05 0.08 0.00 0.00 0.00 175.76 175.20 1b8t s VAL 17 N -1.20 3.88 0.06 0.00 1.01 0.97 -4.79 120.40 120.34 1b8t s VAL 17 Ca 0.51 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 62.13 1b8t s VAL 17 Cb -0.38 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1b8t s VAL 17 CO 0.50 0.57 -0.25 -0.47 0.00 0.00 0.00 175.10 175.45 1b8t s TYR 18 N -0.86 2.37 -0.75 5.22 6.14 -1.26 -0.25 117.35 127.96 1b8t s TYR 18 Ca 0.13 -0.37 -0.30 0.00 0.64 0.00 0.00 57.07 57.18 1b8t s TYR 18 Cb -0.11 -1.38 -0.18 0.00 0.42 0.00 0.00 41.96 40.71 1b8t s TYR 18 CO 0.03 0.20 2.21 0.34 0.64 0.00 0.00 175.55 178.96 1b8t n PHE 19 N 1.53 0.62 0.03 4.97 7.35 -1.26 -3.94 117.46 126.75 1b8t n PHE 19 Ca -0.17 0.41 0.00 0.00 -0.76 0.00 0.00 57.45 56.94 1b8t n PHE 19 Cb 0.52 -2.03 0.00 0.00 0.35 0.00 0.00 39.48 38.32 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 8.40 0.00 0.09 3.13 0.00 -1.26 -5.03 120.51 125.84 1b8t n ALA 20 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1b8t n ALA 20 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.48 0.00 -1.55 0.00 0.28 -1.25 -5.09 120.64 110.55 1b8t n GLU 21 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.98 1b8t n GLU 21 Cb 0.00 -0.13 0.00 0.00 1.43 0.00 0.00 31.44 32.74 1b8t n GLU 21 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1b8t n GLU 22 N -3.30 -0.18 -2.90 3.44 -0.00 -1.26 -4.78 120.64 111.66 1b8t n GLU 22 Ca 0.00 0.31 -0.42 0.00 -0.00 0.00 0.00 57.16 57.05 1b8t n GLU 22 Cb 0.03 -0.41 -0.04 0.00 -0.00 0.00 0.00 31.44 31.02 1b8t n GLU 22 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1b8t s VAL 23 N -0.39 4.79 0.85 3.84 1.01 0.46 -4.91 120.40 126.05 1b8t s VAL 23 Ca 0.02 1.39 -0.11 0.00 0.00 0.00 0.00 61.98 63.27 1b8t s VAL 23 Cb -0.00 -4.15 0.10 0.00 0.00 0.00 0.00 36.38 32.32 1b8t s VAL 23 CO 0.04 -0.19 1.09 -1.58 0.00 0.00 0.00 175.10 174.47 1b8t s GLN 24 N 2.96 1.67 -0.49 2.72 0.74 -1.26 0.23 119.66 126.24 1b8t s GLN 24 Ca 0.34 0.77 0.05 0.00 0.05 0.00 0.00 55.36 56.57 1b8t s GLN 24 Cb -0.14 -1.86 0.21 0.00 1.10 0.00 0.00 33.01 32.32 1b8t s GLN 24 CO 0.11 -1.94 0.83 0.00 -0.55 0.00 0.00 175.29 173.73 1b8t n GLU 26 N 2.43 -1.63 0.00 0.00 2.13 -1.26 -0.79 120.64 121.52 1b8t n GLU 26 Ca 0.14 1.15 0.00 0.00 0.66 0.00 0.00 57.16 59.11 1b8t n GLU 26 Cb 0.59 -1.75 0.00 0.00 0.27 0.00 0.00 31.44 30.55 1b8t n GLU 26 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1b8t n GLY 27 N -0.34 2.15 3.87 8.31 0.00 -1.26 -4.97 105.19 112.95 1b8t n GLY 27 Ca -0.11 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 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 3.24 -0.30 1.61 0.01 0.03 -5.09 113.70 113.20 1b8t s SER 28 Ca 0.00 0.49 -0.05 0.00 1.31 0.00 0.00 55.95 57.70 1b8t s SER 28 Cb 0.00 -0.72 0.18 0.00 0.21 0.00 0.00 66.02 65.70 1b8t s SER 28 CO 0.00 -2.68 0.76 -0.94 0.41 0.00 0.00 173.24 170.80 1b8t s SER 29 N -4.63 -1.05 0.31 2.44 1.04 -1.26 0.15 113.70 110.70 1b8t s SER 29 Ca 0.70 0.67 0.10 0.00 0.48 0.00 0.00 55.95 57.90 1b8t s SER 29 Cb -0.07 1.89 -0.05 0.00 0.10 0.00 0.00 66.02 67.88 1b8t s SER 29 CO 0.52 -0.20 -0.06 -0.36 0.98 0.00 0.00 173.24 174.13 1b8t s PHE 30 N 2.89 2.50 0.88 5.02 0.08 0.14 -4.06 117.98 125.42 1b8t s PHE 30 Ca 0.13 -0.38 -0.11 0.00 0.12 0.00 0.00 56.93 56.69 1b8t s PHE 30 Cb -0.13 -1.29 0.13 0.00 -0.57 0.00 0.00 43.02 41.15 1b8t s PHE 30 CO -0.17 0.58 1.17 -1.01 -0.10 0.00 0.00 175.22 175.69 1b8t s HIS 31 N -2.49 1.65 0.31 0.36 3.76 -1.26 -0.40 115.29 117.23 1b8t s HIS 31 Ca 0.33 1.76 0.06 0.00 -0.15 0.00 0.00 55.06 57.06 1b8t s HIS 31 Cb -0.02 -3.40 0.74 0.00 1.11 0.00 0.00 32.58 31.01 1b8t s HIS 31 CO 0.18 -2.86 1.80 -0.22 -0.85 0.00 0.00 174.74 172.80 1b8t h LYS 32 N -1.56 0.75 -1.05 1.40 3.64 -1.92 0.69 116.57 118.51 1b8t h LYS 32 Ca -0.44 -0.05 -0.31 0.00 -1.27 0.00 0.00 60.65 58.58 1b8t h LYS 32 Cb 1.28 -0.17 -0.18 0.00 -0.41 0.00 0.00 32.23 32.75 1b8t h LYS 32 CO 0.43 0.50 0.40 0.45 -2.27 0.00 0.00 179.45 178.95 1b8t n SER 33 N -4.69 3.86 -0.65 4.20 2.88 -1.26 -3.59 113.62 114.36 1b8t n SER 33 Ca 0.22 -2.97 0.04 0.00 -1.33 0.00 0.00 58.87 54.83 1b8t n SER 33 Cb 0.54 -0.74 0.07 0.00 -0.75 0.00 0.00 64.21 63.32 1b8t n SER 33 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1b8t n PHE 35 N -0.40 3.12 -3.95 0.00 -0.00 -1.24 -4.69 117.46 110.31 1b8t n PHE 35 Ca 0.08 -4.11 -0.15 0.00 -0.00 0.00 0.00 57.45 53.27 1b8t n PHE 35 Cb 0.79 -0.53 -0.15 0.00 -0.00 0.00 0.00 39.48 39.59 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 -2.14 1.63 -0.36 -2.13 0.20 -1.26 -1.50 118.68 113.12 1b8t s LEU 36 Ca 0.37 -0.03 -0.38 0.00 0.69 0.00 0.00 54.13 54.78 1b8t s LEU 36 Cb 0.12 -0.14 -0.14 0.00 -0.43 0.00 0.00 46.19 45.59 1b8t s LEU 36 CO -0.05 -0.03 2.05 0.00 -0.29 0.00 0.00 176.35 178.02 1b8t n MET 38 N 7.21 0.96 -0.01 0.00 2.81 0.14 -0.18 117.12 128.05 1b8t n MET 38 Ca 0.39 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 56.28 1b8t n MET 38 Cb 0.15 -1.03 -0.00 0.00 -0.71 0.00 0.00 33.22 31.62 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 0.19 0.15 2.03 0.31 -1.26 -4.68 118.33 114.53 1b8t n VAL 39 Ca 0.01 0.37 0.03 0.00 -0.01 0.00 0.00 64.34 64.74 1b8t n VAL 39 Cb 0.01 -1.49 0.08 0.00 -0.91 0.00 0.00 33.84 31.52 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 -3.26 0.00 -3.83 0.00 4.81 0.75 -5.05 118.16 111.58 1b8t n LYS 41 Ca 0.02 0.23 -0.35 0.00 -0.87 0.00 0.00 58.31 57.33 1b8t n LYS 41 Cb 0.70 -2.72 -0.10 0.00 0.02 0.00 0.00 35.03 32.93 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 4.00 0.55 1.64 2.20 -1.16 -4.81 119.74 120.15 1b8t s LYS 42 Ca 0.00 -0.32 -0.20 0.00 -0.36 0.00 0.00 55.97 55.09 1b8t s LYS 42 Cb 0.00 -3.36 -0.07 0.00 -1.51 0.00 0.00 37.83 32.89 1b8t s LYS 42 CO 0.00 0.15 0.94 0.27 -0.36 0.00 0.00 175.35 176.36 1b8t n ASN 43 N 3.94 0.78 -4.26 1.43 0.23 -1.26 0.25 115.26 116.37 1b8t n ASN 43 Ca -0.16 0.86 -0.28 0.00 -0.53 0.00 0.00 54.58 54.47 1b8t n ASN 43 Cb 0.52 -1.36 -0.15 0.00 -2.08 0.00 0.00 39.78 36.70 1b8t n ASN 43 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1b8t s LEU 44 N -1.40 2.09 0.25 -4.53 1.43 -0.57 -4.66 118.68 111.29 1b8t s LEU 44 Ca 0.72 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1b8t s LEU 44 Cb -0.45 -1.12 0.00 0.00 0.03 0.00 0.00 46.19 44.65 1b8t s LEU 44 CO 0.50 0.25 0.00 -0.67 0.23 0.00 0.00 176.35 176.66 1b8t n ASP 45 N 2.29 -0.16 -2.92 2.29 2.03 -1.26 -4.69 116.55 114.13 1b8t n ASP 45 Ca -0.16 0.43 -0.13 0.00 0.52 0.00 0.00 54.79 55.45 1b8t n ASP 45 Cb 0.52 0.36 0.00 0.00 -0.72 0.00 0.00 41.12 41.29 1b8t n ASP 45 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1b8t n SER 46 N -3.35 -2.02 -2.95 1.67 7.64 -1.26 -4.99 113.62 108.36 1b8t n SER 46 Ca 0.00 -3.01 -0.12 0.00 1.01 0.00 0.00 58.87 56.75 1b8t n SER 46 Cb 0.00 1.00 -0.01 0.00 -1.01 0.00 0.00 64.21 64.19 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 1.91 -0.35 -4.27 0.44 -2.24 -1.26 -4.96 114.28 103.55 1b8t n THR 47 Ca 0.15 -1.99 -0.34 0.00 -2.27 0.00 0.00 64.05 59.61 1b8t n THR 47 Cb 0.58 0.19 -0.08 0.00 -2.10 0.00 0.00 70.33 68.92 1b8t n THR 47 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1b8t n THR 48 N 2.46 -1.36 -2.69 4.28 5.66 -1.26 -4.57 114.28 116.80 1b8t n THR 48 Ca 0.19 -0.52 -0.37 0.00 -3.05 0.00 0.00 64.05 60.31 1b8t n THR 48 Cb 0.55 -1.27 -0.06 0.00 -1.55 0.00 0.00 70.33 68.01 1b8t n THR 48 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1b8t s VAL 49 N -4.23 4.02 0.29 1.08 0.11 -1.26 -0.37 120.40 120.04 1b8t s VAL 49 Ca 0.08 1.62 0.06 0.00 -2.93 0.00 0.00 61.98 60.82 1b8t s VAL 49 Cb -0.05 -3.88 -0.06 0.00 -1.53 0.00 0.00 36.38 30.87 1b8t s VAL 49 CO 0.99 0.08 -0.03 0.00 -3.33 0.00 0.00 175.10 172.82 1b8t s ALA 50 N -1.64 2.36 0.25 1.54 0.00 0.63 -4.80 121.76 120.10 1b8t s ALA 50 Ca 0.53 -1.95 0.12 0.00 0.00 0.00 0.00 51.96 50.66 1b8t s ALA 50 Cb -0.20 0.29 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 1b8t s ALA 50 CO 0.25 -0.13 -0.20 0.08 0.00 0.00 0.00 175.76 175.77 1b8t s VAL 51 N -3.07 2.52 -0.30 0.00 1.01 -1.26 -1.33 120.40 117.97 1b8t s VAL 51 Ca 0.31 -2.24 -0.07 0.00 0.00 0.00 0.00 61.98 59.97 1b8t s VAL 51 Cb 0.05 -2.29 0.16 0.00 0.00 0.00 0.00 36.38 34.31 1b8t s VAL 51 CO 0.13 -0.30 0.72 -2.28 0.00 0.00 0.00 175.10 173.36 1b8t s HIS 52 N -2.22 -1.28 0.00 5.22 5.04 0.32 -4.83 115.29 117.54 1b8t s HIS 52 Ca 0.27 1.73 0.00 0.00 -1.54 0.00 0.00 55.06 55.52 1b8t s HIS 52 Cb -0.06 0.59 0.00 0.00 0.04 0.00 0.00 32.58 33.15 1b8t s HIS 52 CO 0.14 -0.67 0.00 0.41 -2.34 0.00 0.00 174.74 172.28 1b8t n GLY 53 N 5.38 1.61 2.55 1.59 0.00 -1.26 0.23 105.19 115.28 1b8t n GLY 53 Ca -0.06 0.56 -0.29 0.00 0.00 0.00 0.00 46.02 46.23 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 6.32 5.08 -3.51 1.61 9.92 -1.26 -4.93 116.55 129.78 1b8t n ASP 54 Ca 0.00 -3.73 -0.09 0.00 -0.53 0.00 0.00 54.79 50.44 1b8t n ASP 54 Cb 0.00 -0.54 -0.02 0.00 -0.64 0.00 0.00 41.12 39.92 1b8t n ASP 54 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1b8t s GLU 55 N -3.61 0.98 0.04 -1.24 8.01 0.13 -4.65 118.70 118.36 1b8t s GLU 55 Ca 0.49 -0.38 0.06 0.00 0.01 0.00 0.00 54.97 55.15 1b8t s GLU 55 Cb 0.40 0.44 -0.03 0.00 -4.31 0.00 0.00 34.13 30.63 1b8t s GLU 55 CO -0.22 -0.43 -0.16 0.96 0.01 0.00 0.00 175.26 175.42 1b8t s ILE 56 N -3.30 2.92 -0.09 -1.63 -4.36 -1.26 -0.52 121.20 112.95 1b8t s ILE 56 Ca 0.05 -1.12 -0.05 0.00 -0.26 0.00 0.00 60.65 59.27 1b8t s ILE 56 Cb -0.01 -2.23 0.04 0.00 1.25 0.00 0.00 42.46 41.50 1b8t s ILE 56 CO -0.09 0.35 0.20 -0.31 0.24 0.00 0.00 174.94 175.33 1b8t s TYR 57 N -0.94 -0.25 0.34 1.37 2.02 -0.44 -0.69 117.35 118.76 1b8t s TYR 57 Ca 0.15 0.64 -0.28 0.00 -0.37 0.00 0.00 57.07 57.21 1b8t s TYR 57 Cb -0.11 0.00 -0.10 0.00 -0.40 0.00 0.00 41.96 41.36 1b8t s TYR 57 CO 0.06 -0.19 1.23 0.00 -1.57 0.00 0.00 175.55 175.07 1b8t n LYS 59 N 0.71 -0.09 -0.23 0.00 4.81 0.50 0.01 118.16 123.88 1b8t n LYS 59 Ca 0.01 1.02 -0.03 0.00 -0.87 0.00 0.00 58.31 58.44 1b8t n LYS 59 Cb 0.43 -1.52 -0.01 0.00 0.02 0.00 0.00 35.03 33.95 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 -3.41 -0.46 0.21 3.14 2.88 -1.26 0.19 113.62 114.90 1b8t n SER 60 Ca 0.00 1.00 -0.17 0.00 -1.33 0.00 0.00 58.87 58.38 1b8t n SER 60 Cb 0.05 -0.19 -0.09 0.00 -0.75 0.00 0.00 64.21 63.23 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 -0.85 -1.74 -0.00 0.00 -1.99 0.40 1.11 116.97 113.90 1b8t h TYR 62 Ca -0.03 0.09 0.00 0.00 2.00 0.00 0.00 58.73 60.80 1b8t h TYR 62 Cb 0.79 0.83 -0.00 0.00 2.00 0.00 0.00 36.73 40.35 1b8t h TYR 62 CO -0.32 -0.46 0.01 0.78 -0.00 0.00 0.00 178.16 178.17 1b8t h GLY 63 N -0.29 0.00 1.20 3.88 0.00 -0.13 0.25 103.07 107.98 1b8t h GLY 63 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.14 1b8t h GLY 63 CO -0.69 0.00 -1.17 0.50 0.00 0.00 0.00 176.54 175.18 1b8t h LYS 64 N 0.00 0.64 0.23 4.80 1.57 0.55 0.41 116.57 124.77 1b8t h LYS 64 Ca 0.00 -0.81 -0.01 0.00 -1.87 0.00 0.00 60.65 57.96 1b8t h LYS 64 Cb 0.02 0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1b8t h LYS 64 CO -0.00 1.36 -0.11 -0.22 -0.57 0.00 0.00 179.45 179.91 1b8t h LYS 65 N 0.29 -0.29 -0.06 3.15 3.64 0.16 -3.35 116.57 120.10 1b8t h LYS 65 Ca -0.17 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1b8t h LYS 65 Cb 1.84 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.73 1b8t h LYS 65 CO 0.23 0.00 0.01 1.88 -2.27 0.00 0.00 179.45 179.30 1b8t h TYR 66 N -0.99 0.11 -1.71 1.91 0.05 -0.73 -3.49 116.97 112.12 1b8t h TYR 66 Ca -0.03 -0.02 0.20 0.00 0.05 0.00 0.00 58.73 58.93 1b8t h TYR 66 Cb 0.43 -0.03 -0.05 0.00 1.01 0.00 0.00 36.73 38.09 1b8t h TYR 66 CO 0.05 0.34 -0.29 0.41 -1.05 0.00 0.00 178.16 177.62 1b8t n GLY 67 N -0.37 -1.00 3.59 3.88 0.00 0.14 -4.84 105.19 106.60 1b8t n GLY 67 Ca -0.07 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.50 -2.16 -4.17 1.61 -0.04 -1.26 -5.02 135.00 121.46 1b8t n PRO 68 Ca 0.00 -1.86 -0.23 0.00 -0.04 0.00 0.00 63.50 61.37 1b8t n PRO 68 Cb 0.59 -1.46 -0.07 0.00 -0.04 0.00 0.00 33.50 32.51 1b8t n PRO 68 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1b8t s LYS 69 N -5.63 2.29 0.00 0.54 -0.14 -1.26 -5.15 119.74 110.39 1b8t s LYS 69 Ca 0.71 -1.60 0.00 0.00 -1.36 0.00 0.00 55.97 53.72 1b8t s LYS 69 Cb -0.04 -2.11 0.00 0.00 -1.68 0.00 0.00 37.83 34.00 1b8t s LYS 69 CO 0.52 0.13 0.00 0.41 -0.76 0.00 0.00 175.35 175.65 1b8t n GLY 70 N -1.09 2.78 3.71 -3.33 0.00 -1.26 -5.16 105.19 100.84 1b8t n GLY 70 Ca -0.03 -2.09 -0.02 0.00 0.00 0.00 0.00 46.02 43.88 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 0.58 0.92 0.17 1.61 2.36 -1.26 -5.19 119.74 118.93 1b8t s LYS 71 Ca 0.00 -0.51 -0.06 0.00 -2.55 0.00 0.00 55.97 52.85 1b8t s LYS 71 Cb 0.00 0.31 0.02 0.00 -1.05 0.00 0.00 37.83 37.12 1b8t s LYS 71 CO 0.00 -0.42 0.33 0.41 1.55 0.00 0.00 175.35 177.22 1b8t n GLY 72 N -0.48 1.69 3.38 5.54 0.00 -1.26 -5.19 105.19 108.87 1b8t n GLY 72 Ca -0.07 -1.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.08 1.08 0.00 1.61 2.20 -1.26 -5.18 119.74 116.10 1b8t s LYS 73 Ca 0.08 -0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.30 1b8t s LYS 73 Cb -0.02 0.49 0.00 0.00 -1.51 0.00 0.00 37.83 36.79 1b8t s LYS 73 CO 0.06 -0.41 0.00 0.41 -0.36 0.00 0.00 175.35 175.05 1b8t n GLY 74 N 0.15 4.16 3.73 5.54 0.00 -1.26 -5.18 105.19 112.33 1b8t n GLY 74 Ca -0.18 -2.06 -0.02 0.00 0.00 0.00 0.00 46.02 43.76 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 -2.00 0.99 0.22 1.61 -1.94 -1.26 -5.19 119.30 111.74 1b8t s MET 75 Ca 0.00 -0.56 -0.08 0.00 -1.71 0.00 0.00 55.69 53.34 1b8t s MET 75 Cb 0.00 0.33 0.03 0.00 2.01 0.00 0.00 34.83 37.21 1b8t s MET 75 CO 0.00 -0.46 0.44 0.41 -0.01 0.00 0.00 175.02 175.41 1b8t n GLY 76 N -0.49 1.43 3.80 -0.03 0.00 -1.26 -5.19 105.19 103.45 1b8t n GLY 76 Ca -0.06 -1.15 -0.02 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.61 -1.78 0.00 4.61 0.00 -1.26 -5.19 121.76 116.52 1b8t s ALA 77 Ca 0.09 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1b8t s ALA 77 Cb -0.03 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.76 1b8t s ALA 77 CO 0.07 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.17 1b8t n GLY 78 N -0.60 4.70 3.23 0.00 0.00 -1.26 -5.19 105.19 106.08 1b8t n GLY 78 Ca -0.04 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.41 0.12 0.40 2.61 2.01 -1.26 -5.18 115.64 112.93 1b8t s THR 79 Ca 0.00 -0.98 0.08 0.00 0.31 0.00 0.00 61.69 61.10 1b8t s THR 79 Cb 0.00 -1.24 -0.07 0.00 0.01 0.00 0.00 72.50 71.20 1b8t s THR 79 CO 0.00 -0.54 0.06 -0.76 -0.69 0.00 0.00 174.62 172.69 1b8t s LEU 80 N -2.74 2.96 0.25 4.42 1.02 -1.26 -5.16 118.68 118.17 1b8t s LEU 80 Ca 0.03 -1.22 0.01 0.00 0.02 0.00 0.00 54.13 52.97 1b8t s LEU 80 Cb 0.03 -1.13 -0.05 0.00 0.02 0.00 0.00 46.19 45.06 1b8t s LEU 80 CO -0.10 -0.44 0.09 -0.44 0.02 0.00 0.00 176.35 175.49 1b8t s SER 81 N -3.77 1.14 0.14 2.29 0.01 -1.26 -5.17 113.70 107.08 1b8t s SER 81 Ca 0.37 -1.38 -0.08 0.00 1.31 0.00 0.00 55.95 56.17 1b8t s SER 81 Cb 0.06 0.17 -0.01 0.00 0.21 0.00 0.00 66.02 66.45 1b8t s SER 81 CO 0.20 -0.73 0.24 0.42 0.41 0.00 0.00 173.24 173.77 1b8t s THR 82 N -3.77 0.09 0.20 1.44 -4.23 -1.26 -5.18 115.64 102.93 1b8t s THR 82 Ca 0.37 -1.39 -0.10 0.00 -1.18 0.00 0.00 61.69 59.40 1b8t s THR 82 Cb 0.08 -1.73 -0.01 0.00 1.34 0.00 0.00 72.50 72.18 1b8t s THR 82 CO 0.13 -0.41 0.34 -0.62 -0.54 0.00 0.00 174.62 173.52 1b8t s ASP 83 N -2.95 -0.00 0.26 3.99 2.15 -1.26 -5.18 116.67 113.67 1b8t s ASP 83 Ca 0.15 -0.94 -0.12 0.00 0.43 0.00 0.00 52.55 52.06 1b8t s ASP 83 Cb 0.04 0.48 -0.00 0.00 -0.30 0.00 0.00 42.92 43.14 1b8t s ASP 83 CO -0.03 -0.97 0.49 -0.75 -0.17 0.00 0.00 175.17 173.74 1b8t s LYS 84 N -4.00 1.59 0.14 4.34 2.20 -1.26 -5.19 119.74 117.56 1b8t s LYS 84 Ca 0.21 -1.28 -0.18 0.00 -0.36 0.00 0.00 55.97 54.36 1b8t s LYS 84 Cb 0.02 0.47 0.04 0.00 -1.51 0.00 0.00 37.83 36.86 1b8t s LYS 84 CO 0.04 -0.66 0.46 0.20 -0.36 0.00 0.00 175.35 175.03 1b8t s GLY 85 N -3.03 -0.35 -0.28 5.54 0.00 -1.26 -5.18 107.32 102.77 1b8t s GLY 85 Ca 0.23 0.08 -0.27 0.00 0.00 0.00 0.00 44.72 44.75 1b8t s GLY 85 CO 0.10 -0.18 1.33 -1.83 0.00 0.00 0.00 173.10 172.51 1b8t s GLU 86 N -3.79 0.15 -0.15 2.90 -1.05 -1.26 -5.18 118.70 110.31 1b8t s GLU 86 Ca 0.03 0.09 -0.30 0.00 -0.15 0.00 0.00 54.97 54.64 1b8t s GLU 86 Cb 0.01 0.07 0.13 0.00 -0.44 0.00 0.00 34.13 33.90 1b8t s GLU 86 CO -0.12 -0.04 1.03 -1.54 0.95 0.00 0.00 175.26 175.55 1b8t s SER 87 N -0.55 -0.32 -0.14 0.83 1.04 -1.26 -5.18 113.70 108.11 1b8t s SER 87 Ca 0.07 0.29 -0.30 0.00 0.48 0.00 0.00 55.95 56.48 1b8t s SER 87 Cb -0.03 0.28 0.12 0.00 0.10 0.00 0.00 66.02 66.49 1b8t s SER 87 CO -0.10 -0.35 0.98 -1.48 0.98 0.00 0.00 173.24 173.28 1b8t s LEU 88 N -1.37 -0.37 0.00 2.42 0.05 -1.26 -5.17 118.68 112.98 1b8t s LEU 88 Ca 0.01 0.36 0.00 0.00 0.05 0.00 0.00 54.13 54.54 1b8t s LEU 88 Cb -0.01 1.89 0.00 0.00 -2.05 0.00 0.00 46.19 46.02 1b8t s LEU 88 CO -0.01 -0.38 0.00 0.61 -0.55 0.00 0.00 176.35 176.02 1b8t n GLY 89 N 0.60 3.57 3.46 -3.48 0.00 -1.26 -5.19 105.19 102.89 1b8t n GLY 89 Ca -0.10 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 1b8t n GLY 89 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1b8t s ILE 90 N -0.04 0.03 -0.22 -0.61 -4.36 -1.26 -5.18 121.20 109.57 1b8t s ILE 90 Ca 0.00 -1.24 -0.36 0.00 -0.26 0.00 0.00 60.65 58.79 1b8t s ILE 90 Cb 0.00 -1.88 0.14 0.00 1.25 0.00 0.00 42.46 41.97 1b8t s ILE 90 CO 0.00 -0.16 1.26 -0.75 0.24 0.00 0.00 174.94 175.53 1b8t s LYS 91 N -3.96 0.22 0.06 0.37 2.20 -1.26 -5.19 119.74 112.18 1b8t s LYS 91 Ca 0.17 -0.08 -0.13 0.00 -0.36 0.00 0.00 55.97 55.57 1b8t s LYS 91 Cb 0.01 0.10 0.02 0.00 -1.51 0.00 0.00 37.83 36.45 1b8t s LYS 91 CO 0.02 -0.10 0.30 1.52 -0.36 0.00 0.00 175.35 176.73 1b8t s TYR 92 N -2.28 -0.08 -0.27 4.03 -0.85 -1.26 -5.17 117.35 111.46 1b8t s TYR 92 Ca 0.10 -0.12 -0.27 0.00 -0.52 0.00 0.00 57.07 56.26 1b8t s TYR 92 Cb -0.01 0.09 0.17 0.00 0.38 0.00 0.00 41.96 42.60 1b8t s TYR 92 CO -0.04 -0.53 1.31 -2.00 -1.52 0.00 0.00 175.55 172.76 1b8t s GLU 93 N -2.87 0.19 -0.09 -3.49 2.12 -1.26 -5.18 118.70 108.12 1b8t s GLU 93 Ca -0.03 0.13 -0.30 0.00 0.36 0.00 0.00 54.97 55.14 1b8t s GLU 93 Cb 0.00 0.09 0.07 0.00 0.26 0.00 0.00 34.13 34.56 1b8t s GLU 93 CO -0.05 -0.04 0.71 -2.00 -0.54 0.00 0.00 175.26 173.33 1b8t s GLU 94 N -0.42 1.00 0.00 4.30 2.56 -1.26 -5.18 118.70 119.70 1b8t s GLU 94 Ca 0.06 0.37 0.00 0.00 0.00 0.00 0.00 54.97 55.40 1b8t s GLU 94 Cb -0.03 0.47 0.00 0.00 2.00 0.00 0.00 34.13 36.57 1b8t s GLU 94 CO -0.10 -0.29 0.00 0.41 -0.56 0.00 0.00 175.26 174.73 1b8t n GLY 95 N 1.18 1.18 3.63 -1.50 0.00 -1.26 -5.18 105.19 103.24 1b8t n GLY 95 Ca -0.18 -0.46 -0.06 0.00 0.00 0.00 0.00 46.02 45.32 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 0.27 -0.08 1.61 0.74 -1.26 -5.19 119.66 113.76 1b8t s GLN 96 Ca 0.00 0.21 -0.31 0.00 0.05 0.00 0.00 55.36 55.31 1b8t s GLN 96 Cb 0.00 0.13 0.12 0.00 1.10 0.00 0.00 33.01 34.36 1b8t s GLN 96 CO 0.00 -0.06 1.00 0.45 -0.55 0.00 0.00 175.29 176.13 1b8t s SER 97 N -0.36 -0.30 -0.06 6.67 0.15 -1.26 -5.19 113.70 113.36 1b8t s SER 97 Ca 0.05 0.05 -0.31 0.00 0.70 0.00 0.00 55.95 56.44 1b8t s SER 97 Cb -0.03 0.30 0.13 0.00 -1.71 0.00 0.00 66.02 64.71 1b8t s SER 97 CO -0.08 -0.47 1.36 -1.38 1.20 0.00 0.00 173.24 173.87 1b8t s HIS 98 N -2.63 -0.01 -0.02 3.44 -3.43 -1.26 -5.18 115.29 106.20 1b8t s HIS 98 Ca 0.05 -0.04 -0.12 0.00 -0.80 0.00 0.00 55.06 54.15 1b8t s HIS 98 Cb -0.01 0.53 0.02 0.00 -1.43 0.00 0.00 32.58 31.68 1b8t s HIS 98 CO -0.06 -0.14 0.26 -0.98 -2.00 0.00 0.00 174.74 171.82 1b8t s ARG 99 N -2.16 0.58 1.04 -0.38 1.70 -1.26 -5.17 118.95 113.30 1b8t s ARG 99 Ca 0.18 -0.18 -0.18 0.00 -0.47 0.00 0.00 55.73 55.08 1b8t s ARG 99 Cb 0.05 0.25 0.25 0.00 -0.57 0.00 0.00 34.95 34.93 1b8t s ARG 99 CO -0.05 -0.15 1.15 -0.35 -1.08 0.00 0.00 175.30 174.82 1b8t n PRO 100 N 1.51 -2.11 -3.99 3.89 -0.04 -1.26 -5.10 135.00 127.90 1b8t n PRO 100 Ca -0.21 -1.80 -0.08 0.00 -0.04 0.00 0.00 63.50 61.37 1b8t n PRO 100 Cb 0.56 -1.42 -0.09 0.00 -0.04 0.00 0.00 33.50 32.51 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 -3.32 0.17 -0.04 0.52 -1.32 -1.26 -5.16 115.64 105.23 1b8t s THR 101 Ca 0.69 -1.43 0.01 0.00 -1.21 0.00 0.00 61.69 59.76 1b8t s THR 101 Cb -0.04 -1.23 0.02 0.00 -1.51 0.00 0.00 72.50 69.74 1b8t s THR 101 CO 0.51 -0.79 -0.05 0.20 -2.21 0.00 0.00 174.62 172.27 1b8t s ASN 102 N -2.60 0.98 1.06 8.08 -0.87 -1.26 -5.15 114.94 115.18 1b8t s ASN 102 Ca 0.02 -0.14 -0.17 0.00 -1.57 0.00 0.00 52.86 51.00 1b8t s ASN 102 Cb 0.04 -0.45 0.23 0.00 -0.02 0.00 0.00 41.25 41.05 1b8t s ASN 102 CO -0.08 -0.03 1.21 -2.16 -2.57 0.00 0.00 177.10 173.46 1b8t s PRO 103 N 0.78 -0.10 -0.26 -0.60 0.04 -1.26 -5.09 135.00 128.50 1b8t s PRO 103 Ca -0.11 -0.18 -0.12 0.00 0.04 0.00 0.00 61.00 60.63 1b8t s PRO 103 Cb -0.14 -1.74 0.10 0.00 0.04 0.00 0.00 34.50 32.76 1b8t s PRO 103 CO 0.01 -2.95 0.61 0.54 0.04 0.00 0.00 177.00 175.24 1b8t s ASN 104 N -4.36 -0.88 0.34 6.66 4.22 -1.26 -5.17 114.94 114.49 1b8t s ASN 104 Ca 0.71 1.39 0.04 0.00 -2.14 0.00 0.00 52.86 52.87 1b8t s ASN 104 Cb -0.08 1.62 -0.07 0.00 1.28 0.00 0.00 41.25 44.00 1b8t s ASN 104 CO 0.54 -0.23 0.05 0.00 -2.04 0.00 0.00 177.10 175.43 1b8t s ALA 105 N 2.16 2.48 0.23 3.54 0.00 -1.26 -5.17 121.76 123.74 1b8t s ALA 105 Ca -0.08 -2.10 -0.19 0.00 0.00 0.00 0.00 51.96 49.60 1b8t s ALA 105 Cb -0.09 0.58 0.02 0.00 0.00 0.00 0.00 23.12 23.64 1b8t s ALA 105 CO -0.18 -0.28 0.60 0.45 0.00 0.00 0.00 175.76 176.36 1b8t s SER 106 N -3.52 -0.26 -0.07 0.00 0.15 -1.26 -5.16 113.70 103.58 1b8t s SER 106 Ca 0.36 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.45 1b8t s SER 106 Cb 0.09 0.64 0.02 0.00 -1.71 0.00 0.00 66.02 65.06 1b8t s SER 106 CO 0.16 -1.18 -0.05 -0.13 1.20 0.00 0.00 173.24 173.24 1b8t s ARG 107 N -3.90 1.06 -0.30 5.44 0.52 -1.26 -5.12 118.95 115.40 1b8t s ARG 107 Ca 0.11 -0.14 -0.11 0.00 -0.52 0.00 0.00 55.73 55.07 1b8t s ARG 107 Cb -0.03 -1.11 0.12 0.00 0.52 0.00 0.00 34.95 34.46 1b8t s ARG 107 CO 0.02 -0.14 0.65 1.41 0.02 0.00 0.00 175.30 177.26 1b8t s MET 108 N 1.24 0.59 0.32 3.54 1.75 -1.26 -5.17 119.30 120.32 1b8t s MET 108 Ca -0.05 1.42 -0.14 0.00 -1.25 0.00 0.00 55.69 55.66 1b8t s MET 108 Cb -0.14 0.77 0.02 0.00 2.84 0.00 0.00 34.83 38.32 1b8t s MET 108 CO -0.02 -0.19 0.65 0.00 -0.65 0.00 0.00 175.02 174.81 1b8t s ALA 109 N 2.72 -0.52 -0.29 4.11 0.00 -1.26 -5.18 121.76 121.34 1b8t s ALA 109 Ca -0.06 -0.79 -0.26 0.00 0.00 0.00 0.00 51.96 50.84 1b8t s ALA 109 Cb -0.11 0.88 0.18 0.00 0.00 0.00 0.00 23.12 24.08 1b8t s ALA 109 CO -0.19 -0.94 1.38 -1.14 0.00 0.00 0.00 175.76 174.87 1b8t s GLN 110 N -3.22 0.11 -0.17 0.00 2.00 -1.26 -5.16 119.66 111.96 1b8t s GLN 110 Ca 0.18 0.09 -0.05 0.00 -2.00 0.00 0.00 55.36 53.58 1b8t s GLN 110 Cb -0.04 0.05 0.08 0.00 0.80 0.00 0.00 33.01 33.91 1b8t s GLN 110 CO 0.11 -0.02 0.31 0.21 -0.50 0.00 0.00 175.29 175.40 1b8t s LYS 111 N -0.30 0.22 -0.15 1.67 2.47 -1.26 -5.14 119.74 117.24 1b8t s LYS 111 Ca 0.07 0.72 -0.14 0.00 -1.56 0.00 0.00 55.97 55.07 1b8t s LYS 111 Cb -0.04 -0.15 0.04 0.00 -1.46 0.00 0.00 37.83 36.22 1b8t s LYS 111 CO -0.12 -0.37 0.40 0.54 0.16 0.00 0.00 175.35 175.96 1b8t s VAL 112 N 2.47 -0.00 0.00 4.02 0.11 -1.26 -5.16 120.40 120.58 1b8t s VAL 112 Ca 0.03 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 1b8t s VAL 112 Cb -0.13 -0.56 0.00 0.00 -1.53 0.00 0.00 36.38 34.16 1b8t s VAL 112 CO -0.11 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.27 1b8t n GLY 113 N 2.97 3.94 0.00 6.54 0.00 -1.26 -5.16 105.19 112.22 1b8t n GLY 113 Ca -0.14 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 0.35 3.88 -0.02 0.00 -1.26 -5.10 105.19 103.04 1b8t n GLY 114 Ca 0.00 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 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 -4.00 6.53 0.00 1.61 0.01 -1.26 -5.00 113.70 111.59 1b8t s SER 115 Ca 0.00 1.04 0.00 0.00 1.31 0.00 0.00 55.95 58.30 1b8t s SER 115 Cb 0.00 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.95 1b8t s SER 115 CO 0.00 -0.32 0.00 -0.67 0.41 0.00 0.00 173.24 172.66 1b8t n ASP 116 N -1.09 0.00 -4.06 2.44 4.64 -0.56 -5.05 116.55 112.87 1b8t n ASP 116 Ca 0.02 0.00 -0.15 0.00 -1.38 0.00 0.00 54.79 53.28 1b8t n ASP 116 Cb 0.54 0.00 -0.10 0.00 -1.04 0.00 0.00 41.12 40.52 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 -0.29 107.32 107.33 1b8t s GLY 117 Ca 0.00 -1.79 -0.15 0.00 0.00 0.00 0.00 44.72 42.78 1b8t s GLY 117 CO 0.00 -1.47 0.34 0.00 0.00 0.00 0.00 173.10 171.97 1b8t n PRO 119 N 5.20 0.75 0.00 0.00 -0.04 -1.26 0.29 135.00 139.95 1b8t n PRO 119 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1b8t n PRO 119 Cb 0.46 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1b8t n PRO 119 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1b8t n ARG 120 N -0.97 0.00 0.08 0.54 3.00 -1.26 -4.63 116.66 113.43 1b8t n ARG 120 Ca 0.17 0.15 -0.10 0.00 -0.00 0.00 0.00 57.85 58.07 1b8t n ARG 120 Cb 0.08 -0.63 -0.06 0.00 0.00 0.00 0.00 32.46 31.85 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 1.11 1.02 3.56 0.00 0.00 0.15 -5.08 105.19 105.95 1b8t n GLY 122 Ca -0.04 -0.20 -0.34 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 -0.56 3.35 0.76 1.61 1.11 -1.15 -4.80 119.66 119.98 1b8t s GLN 123 Ca 0.00 -0.50 -0.17 0.00 0.01 0.00 0.00 55.36 54.71 1b8t s GLN 123 Cb 0.00 -2.83 -0.10 0.00 -1.01 0.00 0.00 33.01 29.07 1b8t s GLN 123 CO 0.00 0.43 -0.09 0.00 0.01 0.00 0.00 175.29 175.64 1b8t n ALA 124 N 2.97 -3.31 -3.72 6.09 0.00 -1.26 0.05 120.51 121.33 1b8t n ALA 124 Ca -0.18 -0.36 -0.22 0.00 0.00 0.00 0.00 53.44 52.69 1b8t n ALA 124 Cb 0.53 -1.50 -0.17 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.01 0.52 -0.29 0.00 1.01 0.60 -4.47 120.40 115.76 1b8t s VAL 125 Ca 0.54 -0.03 -0.22 0.00 0.00 0.00 0.00 61.98 62.27 1b8t s VAL 125 Cb -0.33 -0.60 0.14 0.00 0.00 0.00 0.00 36.38 35.59 1b8t s VAL 125 CO 0.69 0.26 1.09 -0.47 0.00 0.00 0.00 175.10 176.67 1b8t s TYR 126 N 1.47 -0.42 0.00 5.22 5.04 -1.26 -1.50 117.35 125.90 1b8t s TYR 126 Ca -0.02 0.94 0.00 0.00 -2.44 0.00 0.00 57.07 55.55 1b8t s TYR 126 Cb -0.13 0.36 0.00 0.00 0.35 0.00 0.00 41.96 42.54 1b8t s TYR 126 CO -0.03 -0.20 0.00 0.00 -1.34 0.00 0.00 175.55 173.97 1b8t n ALA 127 N 2.60 0.00 -1.42 3.97 0.00 -1.26 -4.77 120.51 119.62 1b8t n ALA 127 Ca -0.14 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 52.80 1b8t n ALA 127 Cb 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.98 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 3.73 -2.89 -2.17 0.00 0.00 -1.26 -2.98 120.51 114.94 1b8t n ALA 128 Ca 0.00 0.46 -0.05 0.00 0.00 0.00 0.00 53.44 53.85 1b8t n ALA 128 Cb 0.00 -1.65 0.03 0.00 0.00 0.00 0.00 19.45 17.83 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 1.07 -1.03 -3.77 0.00 4.07 -1.26 -5.07 120.64 114.65 1b8t n GLU 129 Ca 0.18 0.30 -0.13 0.00 -0.06 0.00 0.00 57.16 57.45 1b8t n GLU 129 Cb 0.23 -3.12 -0.13 0.00 -0.06 0.00 0.00 31.44 28.36 1b8t n GLU 129 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 1b8t s LYS 130 N -3.65 0.19 0.05 5.31 -2.85 -1.16 -4.49 119.74 113.14 1b8t s LYS 130 Ca 0.13 0.38 0.04 0.00 -1.00 0.00 0.00 55.97 55.53 1b8t s LYS 130 Cb -0.02 -0.03 -0.02 0.00 -2.06 0.00 0.00 37.83 35.70 1b8t s LYS 130 CO 0.26 -0.10 -0.12 0.54 0.10 0.00 0.00 175.35 176.03 1b8t s VAL 131 N 0.73 0.91 -0.17 1.79 0.11 0.13 -4.66 120.40 119.24 1b8t s VAL 131 Ca -0.05 -1.07 0.00 0.00 -2.93 0.00 0.00 61.98 57.93 1b8t s VAL 131 Cb -0.07 -0.88 0.04 0.00 -1.53 0.00 0.00 36.38 33.95 1b8t s VAL 131 CO -0.04 -0.17 -0.09 -0.63 -3.33 0.00 0.00 175.10 170.84 1b8t s ILE 132 N -1.08 1.35 0.09 7.04 1.09 -1.26 -0.93 121.20 127.49 1b8t s ILE 132 Ca -0.03 -0.72 -0.17 0.00 -1.10 0.00 0.00 60.65 58.63 1b8t s ILE 132 Cb -0.09 -1.43 0.04 0.00 -1.06 0.00 0.00 42.46 39.92 1b8t s ILE 132 CO 0.01 0.22 0.41 -0.83 -0.10 0.00 0.00 174.94 174.65 1b8t s GLY 133 N 1.54 -0.28 -1.48 6.18 0.00 0.10 -4.93 107.32 108.45 1b8t s GLY 133 Ca 0.01 0.13 -0.02 0.00 0.00 0.00 0.00 44.72 44.84 1b8t s GLY 133 CO -0.08 -0.13 0.35 0.00 0.00 0.00 0.00 173.10 173.24 1b8t n ALA 134 N 0.10 -1.92 -4.19 3.20 0.00 -1.26 0.28 120.51 116.72 1b8t n ALA 134 Ca -0.17 -0.28 -0.33 0.00 0.00 0.00 0.00 53.44 52.66 1b8t n ALA 134 Cb 0.62 -1.52 -0.04 0.00 0.00 0.00 0.00 19.45 18.50 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 -2.06 -0.31 3.36 0.00 0.00 -1.26 -4.73 105.19 100.18 1b8t n GLY 135 Ca -0.27 0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 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 -6.93 1.12 -0.03 1.61 -0.14 0.14 -5.12 119.74 110.38 1b8t s LYS 136 Ca 0.38 -0.54 0.05 0.00 -1.36 0.00 0.00 55.97 54.50 1b8t s LYS 136 Cb -0.21 0.50 -0.03 0.00 -1.68 0.00 0.00 37.83 36.42 1b8t s LYS 136 CO 0.94 -0.44 -0.16 0.45 -0.76 0.00 0.00 175.35 175.38 1b8t s SER 137 N -2.60 3.90 0.33 2.83 0.15 -1.26 0.02 113.70 117.07 1b8t s SER 137 Ca 0.01 -0.26 -0.18 0.00 0.70 0.00 0.00 55.95 56.21 1b8t s SER 137 Cb 0.00 -0.76 0.04 0.00 -1.71 0.00 0.00 66.02 63.59 1b8t s SER 137 CO -0.10 0.33 0.75 -1.66 1.20 0.00 0.00 173.24 173.76 1b8t s TRP 138 N -0.75 -0.02 0.00 3.44 -2.14 -0.11 -4.11 118.94 115.25 1b8t s TRP 138 Ca 0.12 -0.54 -0.30 0.00 2.66 0.00 0.00 56.10 58.04 1b8t s TRP 138 Cb -0.11 0.76 -0.04 0.00 -3.10 0.00 0.00 33.47 30.98 1b8t s TRP 138 CO 0.01 -1.40 1.12 -1.01 -2.66 0.00 0.00 176.95 173.01 1b8t s HIS 139 N -3.14 3.46 0.31 1.66 3.76 -1.26 0.22 115.29 120.30 1b8t s HIS 139 Ca 0.13 1.43 0.29 0.00 -0.15 0.00 0.00 55.06 56.76 1b8t s HIS 139 Cb -0.05 -3.31 1.57 0.00 1.11 0.00 0.00 32.58 31.90 1b8t s HIS 139 CO 0.09 -0.81 1.87 -0.22 -0.85 0.00 0.00 174.74 174.82 1b8t h LYS 140 N 6.97 0.00 0.01 1.40 3.64 -1.83 0.64 116.57 127.40 1b8t h LYS 140 Ca -0.39 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1b8t h LYS 140 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1b8t h LYS 140 CO 0.81 0.00 -0.01 0.77 -2.27 0.00 0.00 179.45 178.76 1b8t h SER 141 N 0.00 -0.01 0.41 4.20 0.02 -1.89 -3.39 113.55 112.89 1b8t h SER 141 Ca 0.00 -0.77 -0.02 0.00 -0.84 0.00 0.00 61.79 60.16 1b8t h SER 141 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1b8t h SER 141 CO 0.00 0.85 -0.20 0.00 -1.14 0.00 0.00 176.83 176.34 1b8t n PHE 143 N -5.15 0.41 -4.08 0.00 7.35 0.21 -4.83 117.46 111.37 1b8t n PHE 143 Ca -0.08 0.28 -0.10 0.00 -0.76 0.00 0.00 57.45 56.79 1b8t n PHE 143 Cb 0.25 -1.51 -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 5.51 1.11 0.11 -4.13 1.70 -1.26 -1.49 118.95 120.50 1b8t s ARG 144 Ca 0.86 -1.36 -0.31 0.00 -0.47 0.00 0.00 55.73 54.45 1b8t s ARG 144 Cb -0.83 0.32 -0.09 0.00 -0.57 0.00 0.00 34.95 33.78 1b8t s ARG 144 CO 0.33 -0.37 1.63 0.00 -1.08 0.00 0.00 175.30 175.81 1b8t n ALA 146 N 4.99 4.17 0.00 0.00 0.00 -0.52 -0.10 120.51 129.04 1b8t n ALA 146 Ca 0.15 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.31 1b8t n ALA 146 Cb 0.40 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 0.03 0.00 -0.02 0.00 5.02 -1.26 -4.87 118.16 117.05 1b8t n LYS 147 Ca 0.25 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.56 1b8t n LYS 147 Cb 0.86 -0.33 -0.08 0.00 -0.02 0.00 0.00 35.03 35.46 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 2.07 0.54 3.63 0.00 0.00 0.85 -5.01 105.19 107.27 1b8t n GLY 149 Ca -0.07 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 1b8t n GLY 149 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b8t s LYS 150 N -1.48 4.08 0.48 1.61 2.20 -1.24 -4.63 119.74 120.76 1b8t s LYS 150 Ca 0.00 0.72 -0.22 0.00 -0.36 0.00 0.00 55.97 56.11 1b8t s LYS 150 Cb 0.00 -3.68 -0.09 0.00 -1.51 0.00 0.00 37.83 32.55 1b8t s LYS 150 CO 0.00 -0.57 0.91 -1.13 -0.36 0.00 0.00 175.35 174.20 1b8t n SER 151 N 6.04 0.74 -3.21 1.43 3.41 -1.26 -0.32 113.62 120.44 1b8t n SER 151 Ca 0.04 0.94 -0.14 0.00 -0.26 0.00 0.00 58.87 59.44 1b8t n SER 151 Cb 0.48 -1.32 -0.03 0.00 -0.26 0.00 0.00 64.21 63.08 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 0.28 0.00 0.08 1.04 4.77 -0.55 -4.77 117.00 117.84 1b8t n LEU 152 Ca 0.11 -1.41 0.00 0.00 -0.03 0.00 0.00 56.01 54.68 1b8t n LEU 152 Cb 0.42 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1b8t n LEU 152 CO 0.54 -0.23 0.00 -0.62 -1.33 0.00 0.00 177.39 175.75 1b8t n GLU 153 N -0.64 0.00 -3.64 3.23 1.02 -1.26 -4.86 120.64 114.48 1b8t n GLU 153 Ca -0.08 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.03 1b8t n GLU 153 Cb 0.29 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.69 1b8t n GLU 153 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1b8t s SER 154 N -1.85 -0.17 -1.54 1.62 0.01 -1.26 -4.80 113.70 105.72 1b8t s SER 154 Ca 0.00 -0.19 -0.05 0.00 1.31 0.00 0.00 55.95 57.02 1b8t s SER 154 Cb 0.00 0.32 0.05 0.00 0.21 0.00 0.00 66.02 66.60 1b8t s SER 154 CO 0.00 -0.58 0.11 0.41 0.41 0.00 0.00 173.24 173.60 1b8t n THR 155 N -0.38 -0.76 0.00 1.44 -1.04 -1.26 -4.38 114.28 107.90 1b8t n THR 155 Ca -0.06 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 61.57 1b8t n THR 155 Cb 0.61 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 1b8t n THR 155 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1b8t n THR 156 N -4.30 0.00 -0.62 12.58 -1.04 -1.26 -5.07 114.28 114.57 1b8t n THR 156 Ca -0.23 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.50 1b8t n THR 156 Cb 0.62 0.00 0.25 0.00 -1.82 0.00 0.00 70.33 69.37 1b8t n THR 156 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1b8t s LEU 157 N -2.25 0.85 -0.13 -4.42 0.05 -1.26 0.23 118.68 111.75 1b8t s LEU 157 Ca 0.00 1.45 -0.04 0.00 0.05 0.00 0.00 54.13 55.59 1b8t s LEU 157 Cb 0.00 -3.37 0.06 0.00 -2.05 0.00 0.00 46.19 40.83 1b8t s LEU 157 CO 0.00 -4.13 0.16 0.00 -0.55 0.00 0.00 176.35 171.84 1b8t s ALA 158 N -2.52 -0.09 -0.56 1.48 0.00 0.15 -4.54 121.76 115.68 1b8t s ALA 158 Ca 0.68 0.33 -0.21 0.00 0.00 0.00 0.00 51.96 52.76 1b8t s ALA 158 Cb -0.24 -0.98 0.06 0.00 0.00 0.00 0.00 23.12 21.95 1b8t s ALA 158 CO 0.64 -0.83 0.80 0.16 0.00 0.00 0.00 175.76 176.52 1b8t s ASP 159 N 2.28 6.25 -0.64 0.00 1.47 -1.26 -0.46 116.67 124.31 1b8t s ASP 159 Ca 0.04 -0.79 -0.12 0.00 1.18 0.00 0.00 52.55 52.86 1b8t s ASP 159 Cb -0.14 -2.36 0.16 0.00 -0.34 0.00 0.00 42.92 40.24 1b8t s ASP 159 CO -0.08 -1.12 0.55 -0.75 0.68 0.00 0.00 175.17 174.45 1b8t s LYS 160 N 3.32 3.04 -1.21 2.11 2.36 0.45 -4.65 119.74 125.17 1b8t s LYS 160 Ca 0.21 -2.09 -0.28 0.00 -2.55 0.00 0.00 55.97 51.26 1b8t s LYS 160 Cb -0.17 -4.19 0.02 0.00 -1.05 0.00 0.00 37.83 32.44 1b8t s LYS 160 CO 0.13 -1.27 0.68 -0.25 1.55 0.00 0.00 175.35 176.20 1b8t n ASP 161 N 4.50 -4.20 0.00 1.43 8.00 -1.26 -0.08 116.55 124.95 1b8t n ASP 161 Ca -0.00 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.30 1b8t n ASP 161 Cb 0.42 -2.29 0.00 0.00 -0.02 0.00 0.00 41.12 39.24 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 -1.98 2.36 3.47 0.44 0.00 -1.26 -5.01 105.19 103.22 1b8t n GLY 162 Ca -0.12 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.04 -4.04 1.61 -0.58 0.89 -4.87 120.64 112.60 1b8t n GLU 163 Ca 0.00 -0.26 -0.16 0.00 -0.42 0.00 0.00 57.16 56.32 1b8t n GLU 163 Cb 0.00 -2.04 -0.15 0.00 -0.57 0.00 0.00 31.44 28.68 1b8t n GLU 163 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1b8t s ILE 164 N -2.44 0.29 0.15 -3.67 -4.36 -1.25 -0.41 121.20 109.51 1b8t s ILE 164 Ca 0.62 -0.08 -0.01 0.00 -0.26 0.00 0.00 60.65 60.93 1b8t s ILE 164 Cb -0.21 -0.30 0.00 0.00 1.25 0.00 0.00 42.46 43.21 1b8t s ILE 164 CO 0.64 0.12 0.20 -1.22 0.24 0.00 0.00 174.94 174.93 1b8t n TYR 165 N 3.48 -0.86 -3.93 1.37 4.01 0.39 -1.44 117.16 120.19 1b8t n TYR 165 Ca -0.19 -0.99 -0.32 0.00 -0.16 0.00 0.00 57.90 56.24 1b8t n TYR 165 Cb 0.55 0.23 -0.05 0.00 -0.31 0.00 0.00 39.34 39.76 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 3.52 0.20 -0.49 0.00 3.11 -0.46 1.76 116.57 124.22 1b8t h LYS 167 Ca -0.47 -0.01 0.10 0.00 -2.81 0.00 0.00 60.65 57.45 1b8t h LYS 167 Cb 1.17 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 32.33 1b8t h LYS 167 CO 0.71 0.14 0.34 0.78 -2.81 0.00 0.00 179.45 178.60 1b8t h GLY 168 N 0.21 0.33 0.25 5.01 0.00 -1.94 0.44 103.07 107.37 1b8t h GLY 168 Ca 0.59 -0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.74 1b8t h GLY 168 CO -0.67 0.06 -0.38 0.00 0.00 0.00 0.00 176.54 175.56 1b8t h TYR 170 N -0.77 0.24 0.00 0.00 3.20 0.36 0.44 116.97 120.44 1b8t h TYR 170 Ca -0.07 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1b8t h TYR 170 Cb 1.26 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.45 1b8t h TYR 170 CO 0.24 0.12 -0.03 0.00 -1.64 0.00 0.00 178.16 176.84 1b8t h ALA 171 N 1.76 0.00 -0.41 1.82 0.00 -0.22 1.10 119.26 123.31 1b8t h ALA 171 Ca 0.22 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1b8t h ALA 171 Cb 0.56 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 1b8t h ALA 171 CO -0.04 0.03 -0.55 0.87 0.00 0.00 0.00 179.25 179.56 1b8t h LYS 172 N -0.63 -0.38 -0.91 0.00 1.57 -1.05 0.56 116.57 115.73 1b8t h LYS 172 Ca 0.00 0.03 0.33 0.00 -1.87 0.00 0.00 60.65 59.13 1b8t h LYS 172 Cb 0.03 0.09 -0.17 0.00 0.08 0.00 0.00 32.23 32.26 1b8t h LYS 172 CO 0.00 -0.25 0.29 0.09 -0.57 0.00 0.00 179.45 179.01 1b8t n ASN 173 N -5.33 0.14 0.00 0.86 4.13 0.15 -4.56 115.26 110.65 1b8t n ASN 173 Ca -0.03 1.53 0.00 0.00 1.68 0.00 0.00 54.58 57.76 1b8t n ASN 173 Cb 0.34 -0.67 0.00 0.00 -1.54 0.00 0.00 39.78 37.91 1b8t n ASN 173 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 1b8t n PHE 174 N -5.18 0.00 -4.75 3.10 1.16 0.16 -5.09 117.46 106.86 1b8t n PHE 174 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.87 1b8t n PHE 174 Cb 0.98 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.85 1b8t n PHE 174 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1b8t n GLY 175 N -0.50 1.43 3.78 4.97 0.00 0.38 -4.79 105.19 110.47 1b8t n GLY 175 Ca 0.00 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 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 0.96 0.05 1.61 0.04 -1.26 -4.92 135.00 131.47 1b8t s PRO 176 Ca 0.00 0.22 -0.25 0.00 0.04 0.00 0.00 61.00 61.01 1b8t s PRO 176 Cb 0.00 -1.82 -0.17 0.00 0.04 0.00 0.00 34.50 32.55 1b8t s PRO 176 CO 0.00 -2.31 1.53 1.57 0.04 0.00 0.00 177.00 177.83 1b8t h LYS 177 N -1.58 -0.21 0.00 4.56 2.10 -2.02 -3.50 116.57 115.93 1b8t h LYS 177 Ca -0.50 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1b8t h LYS 177 Cb 1.32 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.70 1b8t h LYS 177 CO 0.59 -0.00 0.00 0.41 -2.00 0.00 0.00 179.45 178.44 1b8t n GLY 178 N -0.73 -0.03 3.65 0.07 0.00 -1.26 -5.10 105.19 101.78 1b8t n GLY 178 Ca -0.09 -2.29 -0.02 0.00 0.00 0.00 0.00 46.02 43.63 1b8t n GLY 178 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1b8t s PHE 179 N -0.76 -0.45 -0.25 1.61 2.19 -1.26 -5.17 117.98 113.89 1b8t s PHE 179 Ca 0.00 0.90 -0.26 0.00 0.33 0.00 0.00 56.93 57.90 1b8t s PHE 179 Cb 0.00 0.28 0.10 0.00 -1.31 0.00 0.00 43.02 42.09 1b8t s PHE 179 CO 0.00 -0.22 0.88 0.20 1.83 0.00 0.00 175.22 177.91 1b8t s GLY 180 N 1.19 -0.35 -0.20 13.12 0.00 -1.26 -5.17 107.32 114.65 1b8t s GLY 180 Ca -0.08 2.26 -0.27 0.00 0.00 0.00 0.00 44.72 46.63 1b8t s GLY 180 CO -0.13 1.66 0.84 -0.12 0.00 0.00 0.00 173.10 175.35 1b8t s PHE 181 N 0.05 -0.60 0.94 1.90 5.36 -1.26 -5.17 117.98 119.21 1b8t s PHE 181 Ca 0.00 1.31 -0.12 0.00 -0.96 0.00 0.00 56.93 57.17 1b8t s PHE 181 Cb -0.04 0.36 0.16 0.00 -0.34 0.00 0.00 43.02 43.15 1b8t s PHE 181 CO -0.01 -0.39 1.12 0.20 -1.46 0.00 0.00 175.22 174.68 1b8t s GLY 182 N -0.27 1.57 -0.44 13.12 0.00 -1.26 -5.04 107.32 115.00 1b8t s GLY 182 Ca -0.02 -0.46 0.07 0.00 0.00 0.00 0.00 44.72 44.32 1b8t s GLY 182 CO 0.01 0.12 1.03 0.61 0.00 0.00 0.00 173.10 174.87 1b8t n GLN 183 N -3.92 1.01 -3.36 2.90 10.64 -1.26 -5.05 117.38 118.34 1b8t n GLN 183 Ca 0.06 -2.27 -0.42 0.00 -1.83 0.00 0.00 57.00 52.54 1b8t n GLN 183 Cb 0.58 -1.19 -0.01 0.00 -0.86 0.00 0.00 30.24 28.76 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 0.35 4.34 3.19 2.61 0.00 -1.26 -4.97 105.19 109.44 1b8t n GLY 184 Ca 0.10 -2.61 -0.40 0.00 0.00 0.00 0.00 46.02 43.12 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 -1.54 3.37 -0.53 4.61 0.00 -1.26 -5.04 121.76 121.37 1b8t s ALA 185 Ca 0.30 -2.57 -0.20 0.00 0.00 0.00 0.00 51.96 49.50 1b8t s ALA 185 Cb -0.07 -2.76 0.06 0.00 0.00 0.00 0.00 23.12 20.35 1b8t s ALA 185 CO -0.06 -1.90 0.68 0.20 0.00 0.00 0.00 175.76 174.68 1b8t s GLY 186 N 2.48 1.72 -0.40 0.00 0.00 -1.26 -4.99 107.32 104.87 1b8t s GLY 186 Ca 0.07 -1.77 0.02 0.00 0.00 0.00 0.00 44.72 43.04 1b8t s GLY 186 CO -0.02 1.58 0.17 0.00 0.00 0.00 0.00 173.10 174.83 1b8t s ALA 187 N 2.84 2.39 -0.28 3.20 0.00 -1.26 -5.07 121.76 123.58 1b8t s ALA 187 Ca 0.16 -2.49 -0.20 0.00 0.00 0.00 0.00 51.96 49.44 1b8t s ALA 187 Cb -0.19 -1.89 0.08 0.00 0.00 0.00 0.00 23.12 21.11 1b8t s ALA 187 CO 0.12 -1.87 0.71 -1.17 0.00 0.00 0.00 175.76 173.55 1b8t s LEU 188 N 0.66 -0.85 0.25 0.00 2.96 -1.26 -5.17 118.68 115.28 1b8t s LEU 188 Ca 0.14 1.47 0.06 0.00 -0.22 0.00 0.00 54.13 55.57 1b8t s LEU 188 Cb -0.22 2.40 -0.03 0.00 0.50 0.00 0.00 46.19 48.85 1b8t s LEU 188 CO -0.08 -0.24 0.33 -0.51 -1.32 0.00 0.00 176.35 174.53 1b8t s ILE 189 N 1.09 4.90 0.32 6.68 2.07 -1.26 -5.13 121.20 129.87 1b8t s ILE 189 Ca -0.06 -1.10 0.06 0.00 -1.41 0.00 0.00 60.65 58.14 1b8t s ILE 189 Cb -0.05 -3.69 -0.06 0.00 0.13 0.00 0.00 42.46 38.79 1b8t s ILE 189 CO -0.11 -0.31 -0.00 -1.38 -1.91 0.00 0.00 174.94 171.22 1b8t s HIS 190 N -2.05 2.04 1.02 3.50 -3.43 -1.26 -5.14 115.29 109.98 1b8t s HIS 190 Ca 0.35 -0.79 -0.11 0.00 -0.80 0.00 0.00 55.06 53.70 1b8t s HIS 190 Cb -0.09 -1.28 0.20 0.00 -1.43 0.00 0.00 32.58 29.99 1b8t s HIS 190 CO 0.28 0.20 1.09 0.45 -2.00 0.00 0.00 174.74 174.77 1b8t s SER 191 N -3.50 2.14 0.00 7.38 0.15 -1.26 -5.37 113.70 113.24 1b8t s SER 191 Ca 0.33 1.86 0.00 0.00 0.70 0.00 0.00 55.95 58.84 1b8t s SER 191 Cb 0.07 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 1b8t s SER 191 CO 0.14 -3.54 0.00 1.67 1.20 0.00 0.00 173.24 172.72