#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8t h PRO 2 N 0.00 0.13 -1.00 0.03 0.13 -2.15 -3.49 132.00 125.64 1b8t h PRO 2 Ca 0.00 -0.13 0.38 0.00 -0.87 0.00 0.00 66.00 65.38 1b8t h PRO 2 Cb 0.00 0.03 -0.17 0.00 0.13 0.00 0.00 31.00 30.99 1b8t h PRO 2 CO 0.00 0.85 1.00 1.21 -0.23 0.00 0.00 178.00 180.82 1b8t s ASN 3 N -6.18 -0.00 -0.20 1.44 3.84 -1.26 -5.19 114.94 107.39 1b8t s ASN 3 Ca -0.16 -0.00 -0.33 0.00 0.21 0.00 0.00 52.86 52.58 1b8t s ASN 3 Cb 0.01 0.00 0.15 0.00 -0.55 0.00 0.00 41.25 40.86 1b8t s ASN 3 CO 0.72 -0.00 1.20 0.86 -2.79 0.00 0.00 177.10 177.10 1b8t s TRP 4 N -2.00 -0.15 0.00 0.43 -0.11 -1.26 -5.19 118.94 110.66 1b8t s TRP 4 Ca 0.14 0.15 0.00 0.00 1.22 0.00 0.00 56.10 57.61 1b8t s TRP 4 Cb 0.04 0.50 0.00 0.00 -1.50 0.00 0.00 33.47 32.52 1b8t s TRP 4 CO -0.05 -0.19 0.00 0.41 -4.62 0.00 0.00 176.95 172.50 1b8t n GLY 5 N 0.13 2.65 0.00 5.86 0.00 -1.26 -5.17 105.19 107.41 1b8t n GLY 5 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.74 -0.94 0.00 -0.02 0.00 -1.26 -5.19 105.19 97.03 1b8t n GLY 6 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.14 -0.87 3.75 -0.02 0.00 -1.26 -4.57 105.19 102.08 1b8t n GLY 7 Ca 0.00 -1.15 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 1b8t n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b8t s LYS 8 N -2.00 2.19 -0.16 1.61 2.47 -0.20 -4.96 119.74 118.69 1b8t s LYS 8 Ca 0.00 -2.41 0.01 0.00 -1.56 0.00 0.00 55.97 52.01 1b8t s LYS 8 Cb 0.00 -1.38 0.02 0.00 -1.46 0.00 0.00 37.83 35.00 1b8t s LYS 8 CO 0.00 -0.42 -0.19 -1.59 0.16 0.00 0.00 175.35 173.31 1b8t s LYS 9 N -3.87 2.75 -0.59 4.03 -2.85 -1.26 -0.40 119.74 117.55 1b8t s LYS 9 Ca 0.04 -0.74 -0.28 0.00 -1.00 0.00 0.00 55.97 54.00 1b8t s LYS 9 Cb 0.01 -2.36 0.03 0.00 -2.06 0.00 0.00 37.83 33.45 1b8t s LYS 9 CO 0.03 -0.16 1.16 0.00 0.10 0.00 0.00 175.35 176.48 1b8t n GLY 11 N 5.10 -0.94 0.04 0.00 0.00 -1.20 -0.16 105.19 108.03 1b8t n GLY 11 Ca 0.07 -0.09 -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 -0.64 0.65 0.12 1.61 0.31 -1.26 -4.56 118.33 114.57 1b8t n VAL 12 Ca 0.09 0.36 0.06 0.00 -0.01 0.00 0.00 64.34 64.84 1b8t n VAL 12 Cb 0.05 -1.89 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 -3.00 0.00 -4.10 0.00 7.27 0.78 -5.07 117.38 113.26 1b8t n GLN 14 Ca -0.01 0.02 -0.27 0.00 0.07 0.00 0.00 57.00 56.81 1b8t n GLN 14 Cb 0.67 -2.84 -0.04 0.00 2.41 0.00 0.00 30.24 30.44 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 -3.36 2.25 0.13 3.69 2.20 -1.07 -4.90 119.74 118.69 1b8t s LYS 15 Ca 0.00 -2.01 -0.18 0.00 -0.36 0.00 0.00 55.97 53.42 1b8t s LYS 15 Cb 0.00 -1.97 -0.07 0.00 -1.51 0.00 0.00 37.83 34.28 1b8t s LYS 15 CO 0.00 -0.39 0.60 0.00 -0.36 0.00 0.00 175.35 175.19 1b8t s ALA 16 N -2.72 3.55 -0.11 3.13 0.00 -1.26 -0.07 121.76 124.28 1b8t s ALA 16 Ca 0.32 0.01 -0.02 0.00 0.00 0.00 0.00 51.96 52.27 1b8t s ALA 16 Cb 0.00 -2.64 -0.03 0.00 0.00 0.00 0.00 23.12 20.46 1b8t s ALA 16 CO 0.19 0.40 -0.04 0.08 0.00 0.00 0.00 175.76 176.39 1b8t s VAL 17 N -1.33 3.89 -0.19 0.00 1.01 0.47 -4.82 120.40 119.43 1b8t s VAL 17 Ca 0.35 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 1b8t s VAL 17 Cb -0.17 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 1b8t s VAL 17 CO 0.20 0.56 -0.10 -0.47 0.00 0.00 0.00 175.10 175.29 1b8t s TYR 18 N -0.33 2.88 -0.76 5.22 5.04 -1.26 -1.03 117.35 127.11 1b8t s TYR 18 Ca 0.05 -0.96 -0.30 0.00 -2.44 0.00 0.00 57.07 53.42 1b8t s TYR 18 Cb -0.12 -1.99 -0.19 0.00 0.35 0.00 0.00 41.96 40.01 1b8t s TYR 18 CO 0.02 -0.49 2.23 1.97 -1.34 0.00 0.00 175.55 177.95 1b8t n PHE 19 N 4.37 0.63 0.00 4.97 -1.74 -1.26 -3.38 117.46 121.05 1b8t n PHE 19 Ca -0.19 0.42 0.00 0.00 -0.56 0.00 0.00 57.45 57.13 1b8t n PHE 19 Cb 0.51 -2.06 0.00 0.00 1.52 0.00 0.00 39.48 39.45 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 8.50 0.00 -2.61 1.98 0.00 -1.26 -4.97 120.51 122.14 1b8t n ALA 20 Ca 0.55 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.89 1b8t n ALA 20 Cb 0.01 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.49 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 0.00 2.03 -3.35 0.00 0.28 -1.22 -5.08 120.64 113.30 1b8t n GLU 21 Ca 0.00 -3.65 -0.38 0.00 -0.16 0.00 0.00 57.16 52.97 1b8t n GLU 21 Cb 0.00 -1.67 -0.06 0.00 1.43 0.00 0.00 31.44 31.14 1b8t n GLU 21 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1b8t s GLU 22 N -3.52 4.25 -0.20 3.44 2.12 -1.26 -0.77 118.70 122.76 1b8t s GLU 22 Ca 0.33 0.45 0.02 0.00 0.36 0.00 0.00 54.97 56.13 1b8t s GLU 22 Cb 0.39 -3.38 0.03 0.00 0.26 0.00 0.00 34.13 31.43 1b8t s GLU 22 CO -0.02 0.29 -0.17 0.08 -0.54 0.00 0.00 175.26 174.90 1b8t s VAL 23 N 0.18 2.08 0.32 3.70 1.01 -0.14 -4.86 120.40 122.69 1b8t s VAL 23 Ca 0.25 -1.13 0.03 0.00 0.00 0.00 0.00 61.98 61.13 1b8t s VAL 23 Cb -0.16 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 1b8t s VAL 23 CO 0.11 0.37 0.49 0.00 0.00 0.00 0.00 175.10 176.07 1b8t s GLN 24 N 1.24 3.34 0.27 2.72 -2.07 -1.26 -0.06 119.66 123.84 1b8t s GLN 24 Ca 0.01 -0.63 -0.21 0.00 -1.82 0.00 0.00 55.36 52.71 1b8t s GLN 24 Cb -0.15 -2.76 0.03 0.00 -1.09 0.00 0.00 33.01 29.04 1b8t s GLN 24 CO -0.11 0.17 0.75 0.00 -1.32 0.00 0.00 175.29 174.79 1b8t n GLU 26 N -0.47 0.00 -4.13 0.00 4.71 -1.26 0.11 120.64 119.61 1b8t n GLU 26 Ca -0.04 0.00 -0.36 0.00 -0.01 0.00 0.00 57.16 56.74 1b8t n GLU 26 Cb 0.59 -1.43 -0.04 0.00 -1.01 0.00 0.00 31.44 29.56 1b8t n GLU 26 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1b8t n GLY 27 N 6.81 -0.43 3.67 0.62 0.00 -1.26 -4.88 105.19 109.73 1b8t n GLY 27 Ca 0.50 0.23 -0.02 0.00 0.00 0.00 0.00 46.02 46.74 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 -3.98 -0.13 -0.30 1.61 0.01 0.12 -5.13 113.70 105.90 1b8t s SER 28 Ca 0.22 -0.24 -0.15 0.00 1.31 0.00 0.00 55.95 57.09 1b8t s SER 28 Cb -0.12 0.32 0.16 0.00 0.21 0.00 0.00 66.02 66.58 1b8t s SER 28 CO 0.91 -0.58 0.99 -0.94 0.41 0.00 0.00 173.24 174.03 1b8t s SER 29 N -2.88 -0.55 0.14 2.44 1.04 -1.26 -0.78 113.70 111.85 1b8t s SER 29 Ca 0.12 0.79 -0.00 0.00 0.48 0.00 0.00 55.95 57.34 1b8t s SER 29 Cb 0.01 1.50 -0.04 0.00 0.10 0.00 0.00 66.02 67.59 1b8t s SER 29 CO -0.02 -0.12 0.04 -0.36 0.98 0.00 0.00 173.24 173.77 1b8t s PHE 30 N 2.05 0.98 0.79 5.02 0.08 0.92 -3.22 117.98 124.59 1b8t s PHE 30 Ca -0.05 -1.16 -0.14 0.00 0.12 0.00 0.00 56.93 55.70 1b8t s PHE 30 Cb -0.05 -0.55 0.07 0.00 -0.57 0.00 0.00 43.02 41.91 1b8t s PHE 30 CO -0.16 -0.42 1.22 0.72 -0.10 0.00 0.00 175.22 176.48 1b8t n HIS 31 N -0.14 1.38 -0.28 0.36 8.25 -1.26 -0.97 115.22 122.56 1b8t n HIS 31 Ca -0.06 0.41 0.16 0.00 -0.26 0.00 0.00 57.72 57.97 1b8t n HIS 31 Cb 0.64 -2.13 0.44 0.00 1.12 0.00 0.00 29.99 30.05 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 -0.70 0.53 -0.81 -0.41 2.10 -1.28 1.14 116.57 117.14 1b8t h LYS 32 Ca -0.47 -0.03 -0.13 0.00 -2.00 0.00 0.00 60.65 58.02 1b8t h LYS 32 Cb 1.31 -0.12 -0.08 0.00 -0.90 0.00 0.00 32.23 32.44 1b8t h LYS 32 CO 0.47 0.35 0.16 0.45 -2.00 0.00 0.00 179.45 178.89 1b8t n SER 33 N -4.58 4.04 -1.11 7.07 2.88 -1.26 -3.81 113.62 116.85 1b8t n SER 33 Ca 0.20 -2.82 0.02 0.00 -1.33 0.00 0.00 58.87 54.94 1b8t n SER 33 Cb 0.62 -0.67 0.13 0.00 -0.75 0.00 0.00 64.21 63.54 1b8t n SER 33 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1b8t s PHE 35 N -2.32 1.60 -0.03 0.00 2.19 -1.23 -4.58 117.98 113.62 1b8t s PHE 35 Ca 0.37 -2.26 -0.01 0.00 0.33 0.00 0.00 56.93 55.36 1b8t s PHE 35 Cb 0.38 -1.51 0.02 0.00 -1.31 0.00 0.00 43.02 40.60 1b8t s PHE 35 CO -0.09 -0.78 0.07 -1.17 1.83 0.00 0.00 175.22 175.08 1b8t s LEU 36 N 0.35 1.21 -0.39 6.12 0.20 -1.26 -1.60 118.68 123.30 1b8t s LEU 36 Ca 0.21 0.14 -0.41 0.00 0.69 0.00 0.00 54.13 54.76 1b8t s LEU 36 Cb -0.17 0.14 -0.16 0.00 -0.43 0.00 0.00 46.19 45.57 1b8t s LEU 36 CO -0.05 -0.10 1.96 0.00 -0.29 0.00 0.00 176.35 177.87 1b8t n MET 38 N 6.56 0.84 0.00 0.00 1.56 -0.54 -0.32 117.12 125.23 1b8t n MET 38 Ca 0.39 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.82 1b8t n MET 38 Cb 0.08 -1.20 0.00 0.00 2.15 0.00 0.00 33.22 34.25 1b8t n MET 38 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1b8t n VAL 39 N -0.23 0.00 0.19 1.12 0.31 -1.26 -4.75 118.33 113.71 1b8t n VAL 39 Ca 0.00 0.11 0.07 0.00 -0.01 0.00 0.00 64.34 64.52 1b8t n VAL 39 Cb 0.10 -1.01 0.30 0.00 -0.91 0.00 0.00 33.84 32.32 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 -3.35 0.00 -3.40 0.00 -0.00 0.57 -5.03 118.16 106.95 1b8t n LYS 41 Ca 0.01 0.33 -0.38 0.00 -0.00 0.00 0.00 58.31 58.27 1b8t n LYS 41 Cb 0.54 -3.19 -0.07 0.00 -0.00 0.00 0.00 35.03 32.30 1b8t n LYS 41 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1b8t s LYS 42 N -1.99 4.22 0.54 -1.58 2.36 -1.21 -4.76 119.74 117.32 1b8t s LYS 42 Ca 0.00 0.23 -0.21 0.00 -2.55 0.00 0.00 55.97 53.44 1b8t s LYS 42 Cb 0.00 -3.50 -0.05 0.00 -1.05 0.00 0.00 37.83 33.23 1b8t s LYS 42 CO 0.00 0.05 1.26 0.54 1.55 0.00 0.00 175.35 178.74 1b8t s ASN 43 N 0.87 5.44 0.27 1.43 2.20 -1.26 0.29 114.94 124.18 1b8t s ASN 43 Ca 0.20 2.51 0.07 0.00 -0.94 0.00 0.00 52.86 54.71 1b8t s ASN 43 Cb -0.14 -2.61 -0.06 0.00 -2.00 0.00 0.00 41.25 36.44 1b8t s ASN 43 CO 0.08 -1.43 -0.09 -0.76 -2.94 0.00 0.00 177.10 171.96 1b8t s LEU 44 N -3.62 2.53 0.05 3.54 1.43 -0.63 -4.79 118.68 117.19 1b8t s LEU 44 Ca 0.72 -1.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 1b8t s LEU 44 Cb -0.34 -0.71 0.00 0.00 0.03 0.00 0.00 46.19 45.17 1b8t s LEU 44 CO 0.39 -0.27 0.00 -0.67 0.23 0.00 0.00 176.35 176.03 1b8t n ASP 45 N -0.57 0.25 0.00 2.29 4.64 -1.26 -4.78 116.55 117.11 1b8t n ASP 45 Ca -0.06 0.08 0.00 0.00 -1.38 0.00 0.00 54.79 53.44 1b8t n ASP 45 Cb 0.63 -0.04 0.00 0.00 -1.04 0.00 0.00 41.12 40.67 1b8t n ASP 45 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 1b8t n SER 46 N -2.84 0.00 0.01 1.67 3.41 -1.26 -5.09 113.62 109.53 1b8t n SER 46 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1b8t n SER 46 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1b8t n SER 46 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1b8t n THR 47 N 0.00 0.00 -3.17 6.66 -1.04 -1.26 -5.02 114.28 110.45 1b8t n THR 47 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.80 1b8t n THR 47 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 1b8t n THR 47 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1b8t n THR 48 N -2.21 0.19 -4.10 12.58 5.66 -1.26 -5.10 114.28 120.05 1b8t n THR 48 Ca 0.00 -4.60 -0.26 0.00 -3.05 0.00 0.00 64.05 56.14 1b8t n THR 48 Cb 0.00 -0.86 -0.05 0.00 -1.55 0.00 0.00 70.33 67.87 1b8t n THR 48 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1b8t s VAL 49 N -2.38 2.01 0.20 1.08 0.11 -1.26 -0.29 120.40 119.86 1b8t s VAL 49 Ca 0.40 -1.65 -0.17 0.00 -2.93 0.00 0.00 61.98 57.62 1b8t s VAL 49 Cb 0.29 -2.67 0.03 0.00 -1.53 0.00 0.00 36.38 32.50 1b8t s VAL 49 CO -0.09 0.00 0.52 0.00 -3.33 0.00 0.00 175.10 172.20 1b8t s ALA 50 N -2.67 -0.92 0.19 1.54 0.00 0.25 -4.57 121.76 115.58 1b8t s ALA 50 Ca 0.35 -0.24 0.11 0.00 0.00 0.00 0.00 51.96 52.18 1b8t s ALA 50 Cb 0.01 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.95 1b8t s ALA 50 CO 0.20 -0.80 -0.22 0.08 0.00 0.00 0.00 175.76 175.01 1b8t s VAL 51 N -3.88 2.21 -0.23 0.00 1.01 -1.26 -1.48 120.40 116.76 1b8t s VAL 51 Ca 0.09 -2.00 -0.11 0.00 0.00 0.00 0.00 61.98 59.96 1b8t s VAL 51 Cb -0.01 -2.04 0.08 0.00 0.00 0.00 0.00 36.38 34.41 1b8t s VAL 51 CO -0.03 -0.17 0.55 -2.28 0.00 0.00 0.00 175.10 173.17 1b8t s HIS 52 N -1.77 -0.92 0.00 5.22 5.65 -0.53 -4.91 115.29 118.03 1b8t s HIS 52 Ca 0.19 1.79 0.00 0.00 0.25 0.00 0.00 55.06 57.30 1b8t s HIS 52 Cb -0.07 0.49 0.00 0.00 -1.18 0.00 0.00 32.58 31.82 1b8t s HIS 52 CO 0.09 -0.48 0.00 0.41 -0.65 0.00 0.00 174.74 174.11 1b8t n GLY 53 N 4.63 2.72 2.45 1.59 0.00 -1.26 -0.49 105.19 114.84 1b8t n GLY 53 Ca -0.18 0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 5.40 5.35 -3.67 1.61 10.43 -1.26 -5.00 116.55 129.41 1b8t n ASP 54 Ca 0.00 -3.75 -0.09 0.00 2.57 0.00 0.00 54.79 53.52 1b8t n ASP 54 Cb 0.00 -0.56 -0.02 0.00 1.84 0.00 0.00 41.12 42.38 1b8t n ASP 54 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1b8t s GLU 55 N -3.65 1.53 0.09 -1.24 2.02 0.35 -5.11 118.70 112.70 1b8t s GLU 55 Ca 0.50 -0.77 0.08 0.00 0.02 0.00 0.00 54.97 54.80 1b8t s GLU 55 Cb 0.41 0.59 -0.04 0.00 0.10 0.00 0.00 34.13 35.19 1b8t s GLU 55 CO -0.17 -0.68 -0.14 0.96 0.02 0.00 0.00 175.26 175.24 1b8t s ILE 56 N -3.85 3.11 -0.05 -1.63 -4.36 -1.26 -1.45 121.20 111.70 1b8t s ILE 56 Ca 0.07 -1.32 -0.08 0.00 -0.26 0.00 0.00 60.65 59.06 1b8t s ILE 56 Cb -0.03 -2.42 0.01 0.00 1.25 0.00 0.00 42.46 41.27 1b8t s ILE 56 CO -0.02 0.15 0.19 -0.31 0.24 0.00 0.00 174.94 175.19 1b8t s TYR 57 N -1.14 -0.14 0.17 1.37 1.51 -0.55 -1.46 117.35 117.12 1b8t s TYR 57 Ca 0.19 0.31 -0.30 0.00 -1.01 0.00 0.00 57.07 56.26 1b8t s TYR 57 Cb -0.11 0.04 -0.07 0.00 -0.11 0.00 0.00 41.96 41.71 1b8t s TYR 57 CO 0.11 -0.18 1.02 0.00 -1.11 0.00 0.00 175.55 175.38 1b8t n LYS 59 N 2.25 -0.34 -0.25 0.00 4.81 0.60 0.11 118.16 125.34 1b8t n LYS 59 Ca 0.01 1.31 0.05 0.00 -0.87 0.00 0.00 58.31 58.81 1b8t n LYS 59 Cb 0.47 -1.93 0.12 0.00 0.02 0.00 0.00 35.03 33.71 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 -4.78 -0.22 0.33 3.14 2.88 -1.26 0.17 113.62 113.87 1b8t n SER 60 Ca 0.02 1.21 -0.16 0.00 -1.33 0.00 0.00 58.87 58.61 1b8t n SER 60 Cb 0.20 -0.38 -0.08 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 -0.98 -1.27 0.00 0.00 3.20 0.32 1.05 116.97 119.29 1b8t h TYR 62 Ca -0.08 0.09 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 1b8t h TYR 62 Cb 0.68 0.66 -0.01 0.00 1.54 0.00 0.00 36.73 39.60 1b8t h TYR 62 CO -0.01 -0.41 -0.19 0.78 -1.64 0.00 0.00 178.16 176.69 1b8t h GLY 63 N -0.13 0.00 0.86 1.82 0.00 -0.30 0.04 103.07 105.36 1b8t h GLY 63 Ca 0.23 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.49 1b8t h GLY 63 CO -0.81 0.00 -0.09 0.50 0.00 0.00 0.00 176.54 176.14 1b8t h LYS 64 N 0.00 0.53 0.30 4.80 1.79 0.43 0.42 116.57 124.84 1b8t h LYS 64 Ca -0.00 -0.22 -0.01 0.00 -2.18 0.00 0.00 60.65 58.24 1b8t h LYS 64 Cb 0.43 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1b8t h LYS 64 CO 0.02 0.76 -0.15 0.87 -1.08 0.00 0.00 179.45 179.88 1b8t h LYS 65 N 0.27 -0.39 -0.14 3.15 1.57 0.22 -3.08 116.57 118.16 1b8t h LYS 65 Ca 0.06 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1b8t h LYS 65 Cb 0.58 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1b8t h LYS 65 CO 0.03 -0.05 0.12 1.88 -0.57 0.00 0.00 179.45 180.86 1b8t h TYR 66 N -0.89 0.00 0.00 -1.35 -1.99 -1.05 -3.42 116.97 108.27 1b8t h TYR 66 Ca -0.04 0.00 -0.42 0.00 2.00 0.00 0.00 58.73 60.27 1b8t h TYR 66 Cb 0.52 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 39.16 1b8t h TYR 66 CO 0.04 0.00 1.58 0.41 -0.00 0.00 0.00 178.16 180.19 1b8t n GLY 67 N -1.49 -0.43 3.77 3.88 0.00 0.15 -4.85 105.19 106.22 1b8t n GLY 67 Ca 0.01 0.84 -0.30 0.00 0.00 0.00 0.00 46.02 46.57 1b8t n GLY 67 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b8t s PRO 68 N 7.57 0.23 0.26 1.61 0.04 -1.26 -5.02 135.00 138.44 1b8t s PRO 68 Ca 1.18 -0.05 -0.21 0.00 0.04 0.00 0.00 61.00 61.97 1b8t s PRO 68 Cb -1.04 -1.76 0.05 0.00 0.04 0.00 0.00 34.50 31.78 1b8t s PRO 68 CO 0.44 -2.75 0.86 -1.59 0.04 0.00 0.00 177.00 174.00 1b8t s LYS 69 N -5.52 1.69 -0.05 4.56 -2.85 -1.26 -5.19 119.74 111.12 1b8t s LYS 69 Ca 0.69 -1.01 -0.23 0.00 -1.00 0.00 0.00 55.97 54.43 1b8t s LYS 69 Cb -0.10 0.52 0.07 0.00 -2.06 0.00 0.00 37.83 36.27 1b8t s LYS 69 CO 0.54 -0.78 1.01 0.41 0.10 0.00 0.00 175.35 176.63 1b8t n GLY 70 N -0.53 0.23 3.86 0.59 0.00 -1.26 -5.19 105.19 102.89 1b8t n GLY 70 Ca -0.06 -0.98 0.02 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.01 0.41 0.06 1.61 2.20 -1.26 -5.19 119.74 115.57 1b8t s LYS 71 Ca 0.24 -0.26 -0.06 0.00 -0.36 0.00 0.00 55.97 55.53 1b8t s LYS 71 Cb -0.00 0.12 0.02 0.00 -1.51 0.00 0.00 37.83 36.46 1b8t s LYS 71 CO -0.01 -0.19 0.30 0.41 -0.36 0.00 0.00 175.35 175.50 1b8t n GLY 72 N -0.76 1.17 3.82 5.54 0.00 -1.26 -5.19 105.19 108.51 1b8t n GLY 72 Ca -0.01 -1.00 0.02 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.02 0.46 0.05 1.61 2.20 -1.26 -5.19 119.74 115.59 1b8t s LYS 73 Ca 0.07 -0.28 -0.13 0.00 -0.36 0.00 0.00 55.97 55.27 1b8t s LYS 73 Cb -0.01 0.14 0.04 0.00 -1.51 0.00 0.00 37.83 36.49 1b8t s LYS 73 CO 0.02 -0.21 0.61 0.41 -0.36 0.00 0.00 175.35 175.82 1b8t n GLY 74 N -0.71 0.71 3.58 5.54 0.00 -1.26 -5.19 105.19 107.86 1b8t n GLY 74 Ca -0.02 -1.00 0.02 0.00 0.00 0.00 0.00 46.02 45.02 1b8t n GLY 74 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1b8t s MET 75 N -2.02 0.07 0.00 1.61 1.75 -1.26 -5.19 119.30 114.26 1b8t s MET 75 Ca 0.14 -0.03 0.00 0.00 -1.25 0.00 0.00 55.69 54.54 1b8t s MET 75 Cb -0.01 0.02 0.00 0.00 2.84 0.00 0.00 34.83 37.68 1b8t s MET 75 CO 0.02 -0.03 0.00 0.41 -0.65 0.00 0.00 175.02 174.77 1b8t n GLY 76 N -0.38 1.88 3.77 2.11 0.00 -1.26 -5.19 105.19 106.12 1b8t n GLY 76 Ca -0.06 -0.94 0.02 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.33 0.07 4.61 0.00 -1.26 -5.19 121.76 115.66 1b8t s ALA 77 Ca 0.00 0.42 -0.16 0.00 0.00 0.00 0.00 51.96 52.22 1b8t s ALA 77 Cb 0.00 0.57 0.06 0.00 0.00 0.00 0.00 23.12 23.75 1b8t s ALA 77 CO 0.00 -1.09 0.75 0.41 0.00 0.00 0.00 175.76 175.83 1b8t n GLY 78 N -0.66 0.66 3.59 0.00 0.00 -1.26 -5.19 105.19 102.33 1b8t n GLY 78 Ca -0.04 -1.04 -0.04 0.00 0.00 0.00 0.00 46.02 44.90 1b8t n GLY 78 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1b8t s THR 79 N -2.17 0.00 0.03 2.61 -1.32 -1.26 -5.19 115.64 108.34 1b8t s THR 79 Ca 0.17 -0.12 -0.28 0.00 -1.21 0.00 0.00 61.69 60.25 1b8t s THR 79 Cb -0.01 -1.31 0.10 0.00 -1.51 0.00 0.00 72.50 69.77 1b8t s THR 79 CO 0.02 0.00 1.22 -1.48 -2.21 0.00 0.00 174.62 172.17 1b8t s LEU 80 N -2.51 -0.03 0.00 9.08 0.05 -1.26 -5.19 118.68 118.82 1b8t s LEU 80 Ca 0.09 -0.27 0.00 0.00 0.05 0.00 0.00 54.13 54.01 1b8t s LEU 80 Cb 0.00 1.53 0.00 0.00 -2.05 0.00 0.00 46.19 45.67 1b8t s LEU 80 CO -0.05 -0.45 0.00 -0.24 -0.55 0.00 0.00 176.35 175.06 1b8t n SER 81 N -0.81 0.00 -3.56 1.48 2.88 -1.26 -5.19 113.62 107.17 1b8t n SER 81 Ca -0.03 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.45 1b8t n SER 81 Cb 0.61 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.05 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 -0.00 2.46 -1.32 -1.26 -5.19 115.64 108.33 1b8t s THR 82 Ca 0.00 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.18 1b8t s THR 82 Cb 0.00 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.10 1b8t s THR 82 CO 0.00 0.00 1.13 1.51 -2.21 0.00 0.00 174.62 175.05 1b8t s ASP 83 N -2.26 -0.15 -0.00 8.08 1.47 -1.26 -5.19 116.67 117.36 1b8t s ASP 83 Ca 0.07 -0.16 -0.29 0.00 1.18 0.00 0.00 52.55 53.35 1b8t s ASP 83 Cb -0.01 0.27 0.10 0.00 -0.34 0.00 0.00 42.92 42.95 1b8t s ASP 83 CO -0.06 -0.49 1.27 -1.59 0.68 0.00 0.00 175.17 174.98 1b8t s LYS 84 N -2.75 0.45 0.00 2.11 -2.85 -1.26 -5.19 119.74 110.26 1b8t s LYS 84 Ca 0.11 -0.28 0.00 0.00 -1.00 0.00 0.00 55.97 54.80 1b8t s LYS 84 Cb 0.01 0.14 0.00 0.00 -2.06 0.00 0.00 37.83 35.92 1b8t s LYS 84 CO -0.03 -0.21 0.00 0.41 0.10 0.00 0.00 175.35 175.62 1b8t n GLY 85 N -0.73 0.34 3.59 0.59 0.00 -1.26 -5.19 105.19 102.53 1b8t n GLY 85 Ca -0.02 -0.95 0.01 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.00 0.05 -0.08 1.61 2.12 -1.26 -5.19 118.70 113.95 1b8t s GLU 86 Ca 0.00 -0.02 -0.32 0.00 0.36 0.00 0.00 54.97 54.98 1b8t s GLU 86 Cb 0.00 0.02 0.14 0.00 0.26 0.00 0.00 34.13 34.54 1b8t s GLU 86 CO 0.00 -0.02 1.34 0.45 -0.54 0.00 0.00 175.26 176.49 1b8t s SER 87 N -2.63 -0.04 -0.02 -1.70 0.15 -1.26 -5.19 113.70 103.01 1b8t s SER 87 Ca 0.14 -0.07 -0.29 0.00 0.70 0.00 0.00 55.95 56.43 1b8t s SER 87 Cb 0.04 0.09 0.11 0.00 -1.71 0.00 0.00 66.02 64.55 1b8t s SER 87 CO -0.05 -0.17 1.29 -1.48 1.20 0.00 0.00 173.24 174.03 1b8t s LEU 88 N -2.85 -0.02 0.00 3.45 2.34 -1.26 -5.19 118.68 115.15 1b8t s LEU 88 Ca 0.14 -0.17 -0.25 0.00 0.06 0.00 0.00 54.13 53.90 1b8t s LEU 88 Cb 0.05 1.33 0.08 0.00 -0.56 0.00 0.00 46.19 47.09 1b8t s LEU 88 CO -0.05 -0.28 1.14 0.61 -1.06 0.00 0.00 176.35 176.71 1b8t n GLY 89 N -0.73 0.24 3.68 -3.48 0.00 -1.26 -5.19 105.19 98.45 1b8t n GLY 89 Ca -0.01 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.03 0.00 -0.02 -0.61 2.07 -1.26 -5.19 121.20 114.16 1b8t s ILE 90 Ca 0.27 -0.35 -0.29 0.00 -1.41 0.00 0.00 60.65 58.87 1b8t s ILE 90 Cb -0.01 -2.08 0.11 0.00 0.13 0.00 0.00 42.46 40.61 1b8t s ILE 90 CO -0.01 0.00 1.30 -0.75 -1.91 0.00 0.00 174.94 173.57 1b8t s LYS 91 N -2.62 0.37 0.03 3.50 2.20 -1.26 -5.19 119.74 116.76 1b8t s LYS 91 Ca 0.15 -0.23 -0.29 0.00 -0.36 0.00 0.00 55.97 55.24 1b8t s LYS 91 Cb 0.03 0.11 0.10 0.00 -1.51 0.00 0.00 37.83 36.56 1b8t s LYS 91 CO -0.02 -0.17 1.21 1.52 -0.36 0.00 0.00 175.35 177.53 1b8t s TYR 92 N -2.16 -0.04 -0.09 4.03 -0.85 -1.26 -5.19 117.35 111.78 1b8t s TYR 92 Ca 0.23 -0.12 -0.33 0.00 -0.52 0.00 0.00 57.07 56.34 1b8t s TYR 92 Cb 0.02 0.58 0.14 0.00 0.38 0.00 0.00 41.96 43.08 1b8t s TYR 92 CO -0.02 -0.42 1.38 -1.83 -1.52 0.00 0.00 175.55 173.13 1b8t s GLU 93 N -2.54 0.16 -0.07 -3.49 -1.05 -1.26 -5.19 118.70 105.26 1b8t s GLU 93 Ca 0.16 -0.08 -0.32 0.00 -0.15 0.00 0.00 54.97 54.58 1b8t s GLU 93 Cb 0.03 0.06 0.13 0.00 -0.44 0.00 0.00 34.13 33.91 1b8t s GLU 93 CO -0.02 -0.07 1.38 -1.21 0.95 0.00 0.00 175.26 176.29 1b8t s GLU 94 N -2.17 0.16 0.00 -4.83 2.02 -1.26 -5.19 118.70 107.43 1b8t s GLU 94 Ca 0.14 -0.09 0.00 0.00 0.02 0.00 0.00 54.97 55.04 1b8t s GLU 94 Cb 0.06 0.05 0.00 0.00 0.10 0.00 0.00 34.13 34.34 1b8t s GLU 94 CO -0.05 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.56 1b8t n GLY 95 N -0.54 0.10 3.58 -1.39 0.00 -1.26 -5.19 105.19 100.49 1b8t n GLY 95 Ca -0.08 -0.95 0.03 0.00 0.00 0.00 0.00 46.02 45.01 1b8t n GLY 95 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1b8t s GLN 96 N -2.00 0.14 0.00 1.61 -2.07 -1.26 -5.19 119.66 110.89 1b8t s GLN 96 Ca 0.00 -0.08 0.00 0.00 -1.82 0.00 0.00 55.36 53.46 1b8t s GLN 96 Cb 0.00 0.05 0.00 0.00 -1.09 0.00 0.00 33.01 31.97 1b8t s GLN 96 CO 0.00 -0.06 0.00 -1.13 -1.32 0.00 0.00 175.29 172.78 1b8t n SER 97 N -0.46 0.00 -3.61 12.60 3.41 -1.26 -5.19 113.62 119.11 1b8t n SER 97 Ca -0.08 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1b8t n SER 97 Cb 0.63 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.57 1b8t n SER 97 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1b8t s HIS 98 N -2.00 -0.06 0.00 7.33 3.76 -1.26 -5.14 115.29 117.92 1b8t s HIS 98 Ca 0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 55.06 54.90 1b8t s HIS 98 Cb 0.00 0.53 0.00 0.00 1.11 0.00 0.00 32.58 34.22 1b8t s HIS 98 CO 0.00 -0.22 0.00 -2.13 -0.85 0.00 0.00 174.74 171.54 1b8t n ARG 99 N -0.36 0.00 -1.52 1.40 0.00 -1.26 -5.18 116.66 109.75 1b8t n ARG 99 Ca -0.05 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.50 1b8t n ARG 99 Cb 0.61 0.00 0.20 0.00 0.00 0.00 0.00 32.46 33.27 1b8t n ARG 99 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1b8t s PRO 100 N 0.00 -0.09 -0.12 -0.14 0.04 -1.26 -5.10 135.00 128.34 1b8t s PRO 100 Ca 0.00 -0.17 -0.32 0.00 0.04 0.00 0.00 61.00 60.55 1b8t s PRO 100 Cb 0.00 -1.74 0.13 0.00 0.04 0.00 0.00 34.50 32.93 1b8t s PRO 100 CO 0.00 -2.94 1.07 -0.08 0.04 0.00 0.00 177.00 175.09 1b8t s THR 101 N -3.43 0.00 0.00 1.26 -1.32 -1.26 -5.15 115.64 105.74 1b8t s THR 101 Ca 0.71 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.19 1b8t s THR 101 Cb -0.08 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.91 1b8t s THR 101 CO 0.54 0.00 0.00 0.59 -2.21 0.00 0.00 174.62 173.54 1b8t n ASN 102 N -0.07 0.00 -4.26 8.08 3.02 -1.26 -5.18 115.26 115.59 1b8t n ASN 102 Ca -0.04 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.22 1b8t n ASN 102 Cb 0.60 0.00 0.18 0.00 -0.61 0.00 0.00 39.78 39.95 1b8t n ASN 102 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1b8t s PRO 103 N 0.00 0.23 0.00 3.52 0.04 -1.26 -5.09 135.00 132.44 1b8t s PRO 103 Ca 0.00 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 60.98 1b8t s PRO 103 Cb 0.00 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1b8t s PRO 103 CO 0.00 -2.75 0.00 0.27 0.04 0.00 0.00 177.00 174.56 1b8t n ASN 104 N -4.08 0.00 -3.70 6.66 6.94 -1.26 -5.19 115.26 114.63 1b8t n ASN 104 Ca 0.11 0.00 0.01 0.00 -0.02 0.00 0.00 54.58 54.69 1b8t n ASN 104 Cb 0.59 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 38.02 1b8t n ASN 104 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1b8t s ALA 105 N -2.00 -2.27 -0.19 -2.53 0.00 -1.26 -5.19 121.76 108.32 1b8t s ALA 105 Ca 0.00 0.22 -0.35 0.00 0.00 0.00 0.00 51.96 51.83 1b8t s ALA 105 Cb 0.00 0.69 0.14 0.00 0.00 0.00 0.00 23.12 23.95 1b8t s ALA 105 CO 0.00 -1.10 1.27 -1.12 0.00 0.00 0.00 175.76 174.80 1b8t s SER 106 N -3.46 -0.09 0.00 0.00 0.01 -1.26 -5.19 113.70 103.71 1b8t s SER 106 Ca 0.23 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.47 1b8t s SER 106 Cb 0.01 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.35 1b8t s SER 106 CO -0.01 -0.18 0.00 -2.11 0.41 0.00 0.00 173.24 171.35 1b8t n ARG 107 N -0.13 0.00 -3.57 12.44 -4.01 -1.26 -5.19 116.66 114.94 1b8t n ARG 107 Ca 0.00 0.00 0.04 0.00 -1.04 0.00 0.00 57.85 56.85 1b8t n ARG 107 Cb 0.58 0.00 -0.00 0.00 -3.04 0.00 0.00 32.46 30.00 1b8t n ARG 107 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1b8t s MET 108 N -2.00 0.07 -0.06 2.89 0.23 -1.26 -5.19 119.30 113.98 1b8t s MET 108 Ca 0.00 -0.04 -0.31 0.00 -1.03 0.00 0.00 55.69 54.31 1b8t s MET 108 Cb 0.00 0.02 0.12 0.00 -1.53 0.00 0.00 34.83 33.44 1b8t s MET 108 CO 0.00 -0.03 1.17 0.00 -2.03 0.00 0.00 175.02 174.12 1b8t s ALA 109 N -2.07 -2.05 -0.10 3.16 0.00 -1.26 -5.19 121.76 114.25 1b8t s ALA 109 Ca 0.15 1.03 -0.33 0.00 0.00 0.00 0.00 51.96 52.81 1b8t s ALA 109 Cb 0.07 0.21 0.14 0.00 0.00 0.00 0.00 23.12 23.54 1b8t s ALA 109 CO -0.06 -0.82 1.34 1.14 0.00 0.00 0.00 175.76 177.35 1b8t s GLN 110 N -2.61 0.22 -0.16 0.00 -2.07 -1.26 -5.19 119.66 108.59 1b8t s GLN 110 Ca 0.11 -0.11 -0.34 0.00 -1.82 0.00 0.00 55.36 53.19 1b8t s GLN 110 Cb 0.01 0.08 0.13 0.00 -1.09 0.00 0.00 33.01 32.15 1b8t s GLN 110 CO -0.04 -0.10 1.18 0.21 -1.32 0.00 0.00 175.29 175.22 1b8t s LYS 111 N -2.25 0.36 -0.02 9.60 2.20 -1.26 -5.19 119.74 123.17 1b8t s LYS 111 Ca 0.13 -0.14 -0.30 0.00 -0.36 0.00 0.00 55.97 55.30 1b8t s LYS 111 Cb 0.04 0.16 0.12 0.00 -1.51 0.00 0.00 37.83 36.64 1b8t s LYS 111 CO -0.05 -0.16 1.23 0.54 -0.36 0.00 0.00 175.35 176.56 1b8t s VAL 112 N -2.48 0.00 0.00 4.02 0.11 -1.26 -5.19 120.40 115.60 1b8t s VAL 112 Ca 0.09 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 58.91 1b8t s VAL 112 Cb -0.01 -1.82 0.00 0.00 -1.53 0.00 0.00 36.38 33.02 1b8t s VAL 112 CO -0.05 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.33 1b8t n GLY 113 N -0.42 3.47 0.00 6.54 0.00 -1.26 -5.19 105.19 108.33 1b8t n GLY 113 Ca -0.07 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.24 3.15 3.62 -0.02 0.00 -1.26 -5.19 105.19 104.26 1b8t n GLY 114 Ca 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 -0.14 0.00 1.61 0.01 -1.26 -4.75 113.70 109.17 1b8t s SER 115 Ca 0.00 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.40 1b8t s SER 115 Cb 0.00 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.35 1b8t s SER 115 CO 0.00 -0.14 0.00 -0.67 0.41 0.00 0.00 173.24 172.84 1b8t n ASP 116 N 0.54 0.00 -4.28 2.44 -0.08 -0.56 -5.06 116.55 109.54 1b8t n ASP 116 Ca -0.03 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.05 1b8t n ASP 116 Cb 0.59 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.95 1b8t n ASP 116 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1b8t s GLY 117 N -0.01 2.07 -0.43 0.27 0.00 -1.26 -0.12 107.32 107.84 1b8t s GLY 117 Ca 0.00 -1.80 -0.16 0.00 0.00 0.00 0.00 44.72 42.76 1b8t s GLY 117 CO 0.00 -1.72 0.35 0.00 0.00 0.00 0.00 173.10 171.73 1b8t n PRO 119 N 5.25 0.57 0.00 0.00 -0.04 -1.26 0.52 135.00 140.05 1b8t n PRO 119 Ca -0.11 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1b8t n PRO 119 Cb 0.46 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 1b8t n PRO 119 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1b8t n ARG 120 N -1.12 0.00 0.10 0.54 3.00 -1.26 -4.63 116.66 113.30 1b8t n ARG 120 Ca 0.15 0.22 -0.15 0.00 -0.00 0.00 0.00 57.85 58.07 1b8t n ARG 120 Cb 0.12 -0.72 -0.12 0.00 0.00 0.00 0.00 32.46 31.74 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 1.44 2.12 3.77 0.00 0.00 0.18 -5.07 105.19 107.64 1b8t n GLY 122 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.19 3.90 1.01 1.61 -0.21 -1.24 -4.26 119.66 120.27 1b8t s GLN 123 Ca 0.00 2.46 -0.12 0.00 0.02 0.00 0.00 55.36 57.71 1b8t s GLN 123 Cb 0.00 -2.80 0.16 0.00 1.00 0.00 0.00 33.01 31.36 1b8t s GLN 123 CO 0.00 -0.66 0.84 0.00 -2.12 0.00 0.00 175.29 173.35 1b8t n ALA 124 N 0.12 -2.06 -3.77 6.09 0.00 -1.26 0.16 120.51 119.79 1b8t n ALA 124 Ca 0.03 -0.80 -0.25 0.00 0.00 0.00 0.00 53.44 52.43 1b8t n ALA 124 Cb 0.41 -2.00 -0.17 0.00 0.00 0.00 0.00 19.45 17.69 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 -2.49 0.45 -0.27 0.00 1.01 0.83 -4.45 120.40 115.48 1b8t s VAL 125 Ca 0.64 -0.10 -0.24 0.00 0.00 0.00 0.00 61.98 62.29 1b8t s VAL 125 Cb -0.22 -0.70 0.07 0.00 0.00 0.00 0.00 36.38 35.52 1b8t s VAL 125 CO 0.63 0.13 0.71 -0.72 0.00 0.00 0.00 175.10 175.84 1b8t s TYR 126 N 1.93 -0.80 0.00 5.22 1.13 -1.26 -1.49 117.35 122.07 1b8t s TYR 126 Ca 0.03 1.92 0.00 0.00 -1.41 0.00 0.00 57.07 57.61 1b8t s TYR 126 Cb -0.14 0.30 0.00 0.00 -1.10 0.00 0.00 41.96 41.02 1b8t s TYR 126 CO -0.06 -0.39 0.00 0.00 -2.51 0.00 0.00 175.55 172.59 1b8t n ALA 127 N 2.83 0.00 -1.46 9.51 0.00 -1.26 -4.76 120.51 125.38 1b8t n ALA 127 Ca -0.14 0.00 -0.54 0.00 0.00 0.00 0.00 53.44 52.75 1b8t n ALA 127 Cb 0.55 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.95 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 2.89 -3.30 -1.70 0.00 0.00 -1.26 -3.13 120.51 114.00 1b8t n ALA 128 Ca 0.00 0.53 -0.01 0.00 0.00 0.00 0.00 53.44 53.95 1b8t n ALA 128 Cb 0.00 -1.69 0.01 0.00 0.00 0.00 0.00 19.45 17.76 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 1.28 -0.24 -3.39 0.00 4.07 -1.26 -5.06 120.64 116.03 1b8t n GLU 129 Ca 0.19 0.19 -0.20 0.00 -0.06 0.00 0.00 57.16 57.28 1b8t n GLU 129 Cb 0.16 -2.00 -0.09 0.00 -0.06 0.00 0.00 31.44 29.44 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 -3.13 0.53 0.34 5.31 -2.85 -1.18 -4.49 119.74 114.26 1b8t s LYS 130 Ca 0.04 -0.75 -0.16 0.00 -1.00 0.00 0.00 55.97 54.10 1b8t s LYS 130 Cb -0.01 -0.82 -0.09 0.00 -2.06 0.00 0.00 37.83 34.85 1b8t s LYS 130 CO 0.09 -1.15 0.77 0.54 0.10 0.00 0.00 175.35 175.70 1b8t s VAL 131 N 1.62 4.62 -0.16 1.79 0.11 0.14 -4.91 120.40 123.62 1b8t s VAL 131 Ca 0.15 1.05 0.00 0.00 -2.93 0.00 0.00 61.98 60.25 1b8t s VAL 131 Cb -0.16 -3.61 0.04 0.00 -1.53 0.00 0.00 36.38 31.11 1b8t s VAL 131 CO -0.11 -0.21 -0.09 -0.63 -3.33 0.00 0.00 175.10 170.74 1b8t s ILE 132 N -2.02 1.32 -0.04 7.04 -1.09 -1.26 -1.31 121.20 123.85 1b8t s ILE 132 Ca 0.55 -0.68 -0.11 0.00 -2.23 0.00 0.00 60.65 58.19 1b8t s ILE 132 Cb -0.10 -1.40 0.02 0.00 -1.58 0.00 0.00 42.46 39.40 1b8t s ILE 132 CO 0.17 0.24 0.25 -0.83 -1.23 0.00 0.00 174.94 173.54 1b8t s GLY 133 N 1.56 -0.12 -1.18 6.18 0.00 0.04 -4.92 107.32 108.87 1b8t s GLY 133 Ca 0.02 0.37 -0.26 0.00 0.00 0.00 0.00 44.72 44.84 1b8t s GLY 133 CO -0.08 0.22 0.73 0.00 0.00 0.00 0.00 173.10 173.96 1b8t n ALA 134 N 1.94 -2.56 -4.43 3.20 0.00 -1.26 0.27 120.51 117.67 1b8t n ALA 134 Ca -0.19 -0.39 -0.41 0.00 0.00 0.00 0.00 53.44 52.46 1b8t n ALA 134 Cb 0.57 -3.38 -0.08 0.00 0.00 0.00 0.00 19.45 16.56 1b8t n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b8t n GLY 135 N -1.88 -0.40 3.20 0.00 0.00 -1.26 -4.87 105.19 99.97 1b8t n GLY 135 Ca -0.11 0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 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 -7.10 1.14 -0.02 1.61 1.02 0.14 -5.17 119.74 111.36 1b8t s LYS 136 Ca 0.79 -1.56 0.04 0.00 0.02 0.00 0.00 55.97 55.26 1b8t s LYS 136 Cb -0.46 0.27 -0.01 0.00 -0.52 0.00 0.00 37.83 37.11 1b8t s LYS 136 CO 0.97 -0.37 -0.14 -1.54 -0.92 0.00 0.00 175.35 173.35 1b8t s SER 137 N -3.12 1.73 0.33 2.83 1.04 -1.26 -0.78 113.70 114.47 1b8t s SER 137 Ca 0.34 -0.27 -0.14 0.00 0.48 0.00 0.00 55.95 56.36 1b8t s SER 137 Cb 0.07 -0.34 0.03 0.00 0.10 0.00 0.00 66.02 65.88 1b8t s SER 137 CO 0.09 0.15 0.66 -1.66 0.98 0.00 0.00 173.24 173.46 1b8t s TRP 138 N -0.11 0.28 -0.05 5.02 -2.14 -0.42 -4.12 118.94 117.39 1b8t s TRP 138 Ca 0.01 -0.77 -0.30 0.00 2.66 0.00 0.00 56.10 57.70 1b8t s TRP 138 Cb -0.08 0.52 -0.02 0.00 -3.10 0.00 0.00 33.47 30.79 1b8t s TRP 138 CO 0.00 -1.32 1.00 -1.01 -2.66 0.00 0.00 176.95 172.97 1b8t s HIS 139 N -3.09 3.57 0.18 1.66 3.76 -1.26 0.26 115.29 120.37 1b8t s HIS 139 Ca 0.19 1.63 0.26 0.00 -0.15 0.00 0.00 55.06 56.98 1b8t s HIS 139 Cb -0.04 -3.17 1.43 0.00 1.11 0.00 0.00 32.58 31.91 1b8t s HIS 139 CO 0.12 -0.18 1.78 -0.22 -0.85 0.00 0.00 174.74 175.39 1b8t h LYS 140 N 6.97 0.00 0.00 1.40 3.64 -1.90 0.67 116.57 127.35 1b8t h LYS 140 Ca -0.36 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1b8t h LYS 140 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1b8t h LYS 140 CO 0.81 0.00 -0.00 0.77 -2.27 0.00 0.00 179.45 178.75 1b8t h SER 141 N 0.00 -0.01 0.39 4.20 0.02 -1.90 -3.39 113.55 112.86 1b8t h SER 141 Ca 0.00 -0.78 -0.02 0.00 -0.84 0.00 0.00 61.79 60.15 1b8t h SER 141 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1b8t h SER 141 CO 0.00 0.87 -0.19 0.00 -1.14 0.00 0.00 176.83 176.38 1b8t n PHE 143 N -5.12 0.23 -4.20 0.00 7.35 0.22 -4.82 117.46 111.12 1b8t n PHE 143 Ca -0.07 0.16 -0.12 0.00 -0.76 0.00 0.00 57.45 56.66 1b8t n PHE 143 Cb 0.21 -1.00 -0.10 0.00 0.35 0.00 0.00 39.48 38.94 1b8t n PHE 143 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 1b8t s ARG 144 N 4.06 1.15 0.09 -4.13 1.70 -1.26 -1.50 118.95 119.05 1b8t s ARG 144 Ca 0.63 -1.59 -0.31 0.00 -0.47 0.00 0.00 55.73 53.99 1b8t s ARG 144 Cb -0.56 0.19 -0.09 0.00 -0.57 0.00 0.00 34.95 33.92 1b8t s ARG 144 CO 0.23 -0.34 1.67 0.00 -1.08 0.00 0.00 175.30 175.78 1b8t n ALA 146 N 5.35 3.89 0.00 0.00 0.00 -0.24 0.01 120.51 129.52 1b8t n ALA 146 Ca 0.16 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.48 1b8t n ALA 146 Cb 0.40 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 0.02 0.00 -0.03 0.00 4.76 -1.26 -4.88 118.16 116.77 1b8t n LYS 147 Ca 0.22 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.65 1b8t n LYS 147 Cb 0.87 -0.37 -0.07 0.00 -1.84 0.00 0.00 35.03 33.61 1b8t n LYS 147 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1b8t n GLY 149 N 2.26 0.70 3.61 0.00 0.00 0.10 -5.01 105.19 106.86 1b8t n GLY 149 Ca -0.10 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.17 4.00 0.45 1.61 2.20 -1.24 -4.61 119.74 120.97 1b8t s LYS 150 Ca 0.00 0.53 -0.22 0.00 -0.36 0.00 0.00 55.97 55.91 1b8t s LYS 150 Cb 0.00 -3.70 -0.11 0.00 -1.51 0.00 0.00 37.83 32.51 1b8t s LYS 150 CO 0.00 -0.58 0.75 -1.13 -0.36 0.00 0.00 175.35 174.03 1b8t n SER 151 N 5.99 0.03 -2.99 1.43 3.41 -1.26 -0.23 113.62 119.99 1b8t n SER 151 Ca 0.02 0.93 -0.12 0.00 -0.26 0.00 0.00 58.87 59.43 1b8t n SER 151 Cb 0.48 -1.23 -0.03 0.00 -0.26 0.00 0.00 64.21 63.18 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 0.75 0.00 0.06 1.04 4.77 -0.56 -4.74 117.00 118.32 1b8t n LEU 152 Ca 0.11 -1.22 0.00 0.00 -0.03 0.00 0.00 56.01 54.87 1b8t n LEU 152 Cb 0.41 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1b8t n LEU 152 CO 0.55 -0.17 0.00 1.21 -1.33 0.00 0.00 177.39 177.64 1b8t n GLU 153 N -0.48 0.00 0.03 3.23 2.13 -1.26 -4.87 120.64 119.42 1b8t n GLU 153 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 1b8t n GLU 153 Cb 0.25 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.96 1b8t n GLU 153 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1b8t n SER 154 N -2.91 -0.46 -3.63 4.31 2.88 -1.26 -4.77 113.62 107.79 1b8t n SER 154 Ca 0.00 0.30 -0.41 0.00 -1.33 0.00 0.00 58.87 57.42 1b8t n SER 154 Cb 0.00 0.68 -0.01 0.00 -0.75 0.00 0.00 64.21 64.13 1b8t n SER 154 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1b8t n THR 155 N -2.40 3.80 0.00 2.46 -1.04 -1.26 -2.93 114.28 112.90 1b8t n THR 155 Ca 0.00 -3.06 0.00 0.00 -2.04 0.00 0.00 64.05 58.95 1b8t n THR 155 Cb 0.00 -2.58 0.00 0.00 -1.82 0.00 0.00 70.33 65.93 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 4.47 0.00 -1.17 12.58 -1.04 -1.26 -5.10 114.28 122.76 1b8t n THR 156 Ca 0.58 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 62.30 1b8t n THR 156 Cb 0.34 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 69.06 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 0.00 1.23 -0.16 -4.42 0.05 -1.15 0.28 118.68 114.50 1b8t s LEU 157 Ca 0.00 0.89 -0.04 0.00 0.05 0.00 0.00 54.13 55.02 1b8t s LEU 157 Cb 0.00 -2.87 0.06 0.00 -2.05 0.00 0.00 46.19 41.33 1b8t s LEU 157 CO 0.00 -3.55 0.08 0.00 -0.55 0.00 0.00 176.35 172.33 1b8t s ALA 158 N -3.03 0.50 -0.82 1.48 0.00 0.16 -4.54 121.76 115.52 1b8t s ALA 158 Ca 0.68 -0.32 -0.19 0.00 0.00 0.00 0.00 51.96 52.13 1b8t s ALA 158 Cb -0.14 -1.01 0.12 0.00 0.00 0.00 0.00 23.12 22.08 1b8t s ALA 158 CO 0.57 -1.10 1.01 0.16 0.00 0.00 0.00 175.76 176.40 1b8t s ASP 159 N 2.10 6.47 0.14 0.00 -4.77 -1.26 -0.50 116.67 118.85 1b8t s ASP 159 Ca 0.02 -1.76 0.00 0.00 -3.30 0.00 0.00 52.55 47.51 1b8t s ASP 159 Cb -0.16 -2.38 0.00 0.00 -1.09 0.00 0.00 42.92 39.29 1b8t s ASP 159 CO -0.08 -1.13 0.00 1.17 0.70 0.00 0.00 175.17 175.83 1b8t n LYS 160 N 6.64 1.62 -1.53 2.11 0.00 0.13 -4.86 118.16 122.28 1b8t n LYS 160 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 58.31 58.19 1b8t n LYS 160 Cb 0.47 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 35.36 1b8t n LYS 160 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1b8t n ASP 161 N -0.97 0.37 -3.35 3.14 -0.08 -1.26 -1.35 116.55 113.05 1b8t n ASP 161 Ca 0.00 -0.71 -0.21 0.00 -1.51 0.00 0.00 54.79 52.36 1b8t n ASP 161 Cb 0.00 -1.10 -0.02 0.00 2.34 0.00 0.00 41.12 42.34 1b8t n ASP 161 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1b8t n GLY 162 N 6.15 -0.47 3.18 0.27 0.00 -1.26 -4.89 105.19 108.16 1b8t n GLY 162 Ca 0.57 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 46.53 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 -5.97 0.91 -0.03 1.61 0.41 -0.46 -5.15 118.70 110.03 1b8t s GLU 163 Ca 0.37 -1.40 0.03 0.00 -0.41 0.00 0.00 54.97 53.56 1b8t s GLU 163 Cb -0.21 -0.09 -0.00 0.00 -1.78 0.00 0.00 34.13 32.05 1b8t s GLU 163 CO 0.45 -0.11 -0.11 0.96 -0.49 0.00 0.00 175.26 175.96 1b8t s ILE 164 N -3.75 0.94 0.13 -1.63 -4.36 -1.25 0.19 121.20 111.48 1b8t s ILE 164 Ca 0.17 -0.46 0.00 0.00 -0.26 0.00 0.00 60.65 60.10 1b8t s ILE 164 Cb 0.06 -0.82 -0.00 0.00 1.25 0.00 0.00 42.46 42.95 1b8t s ILE 164 CO -0.02 0.28 0.17 -1.22 0.24 0.00 0.00 174.94 174.40 1b8t n TYR 165 N 3.15 -0.70 -3.95 1.37 4.01 0.35 -1.08 117.16 120.30 1b8t n TYR 165 Ca -0.17 -0.93 -0.31 0.00 -0.16 0.00 0.00 57.90 56.33 1b8t n TYR 165 Cb 0.54 0.19 -0.05 0.00 -0.31 0.00 0.00 39.34 39.71 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 3.13 0.24 -0.26 0.00 1.63 -0.41 1.71 116.57 122.61 1b8t h LYS 167 Ca -0.45 -0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.40 1b8t h LYS 167 Cb 1.16 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.73 1b8t h LYS 167 CO 0.73 0.16 0.18 0.78 -3.45 0.00 0.00 179.45 177.86 1b8t h GLY 168 N 0.25 0.05 0.28 5.01 0.00 -1.94 0.45 103.07 107.16 1b8t h GLY 168 Ca 0.57 -0.01 -0.12 0.00 0.00 0.00 0.00 47.33 47.77 1b8t h GLY 168 CO -0.63 0.01 -0.57 0.00 0.00 0.00 0.00 176.54 175.35 1b8t h TYR 170 N -0.72 0.31 0.00 0.00 3.20 0.39 0.42 116.97 120.58 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 1.33 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.49 1b8t h TYR 170 CO 0.21 0.17 -0.06 0.00 -1.64 0.00 0.00 178.16 176.85 1b8t h ALA 171 N 1.78 0.00 -0.24 1.82 0.00 -0.22 -3.24 119.26 119.16 1b8t h ALA 171 Ca 0.18 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1b8t h ALA 171 Cb 0.33 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 1b8t h ALA 171 CO -0.04 0.06 -0.51 0.87 0.00 0.00 0.00 179.25 179.62 1b8t h LYS 172 N -0.89 -0.45 -1.06 0.00 1.57 -1.03 0.55 116.57 115.25 1b8t h LYS 172 Ca 0.00 0.03 0.43 0.00 -1.87 0.00 0.00 60.65 59.24 1b8t h LYS 172 Cb 0.06 0.10 -0.17 0.00 0.08 0.00 0.00 32.23 32.30 1b8t h LYS 172 CO 0.00 -0.30 0.60 0.09 -0.57 0.00 0.00 179.45 179.28 1b8t n ASN 173 N -5.20 0.32 -2.89 0.86 3.02 0.15 -0.04 115.26 111.47 1b8t n ASN 173 Ca -0.05 1.58 -0.25 0.00 -0.03 0.00 0.00 54.58 55.83 1b8t n ASN 173 Cb 0.34 -0.77 -0.03 0.00 -0.61 0.00 0.00 39.78 38.70 1b8t n ASN 173 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1b8t n PHE 174 N -5.11 3.36 -3.28 3.10 3.72 0.15 -4.95 117.46 114.44 1b8t n PHE 174 Ca 0.38 -3.80 -0.08 0.00 -0.05 0.00 0.00 57.45 53.90 1b8t n PHE 174 Cb 1.33 -0.41 -0.05 0.00 -0.94 0.00 0.00 39.48 39.40 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 -3.34 -0.65 0.63 1.37 0.00 0.10 -4.82 107.32 100.62 1b8t s GLY 175 Ca 0.47 0.12 -0.14 0.00 0.00 0.00 0.00 44.72 45.17 1b8t s GLY 175 CO -0.13 3.15 1.05 2.56 0.00 0.00 0.00 173.10 179.72 1b8t s PRO 176 N 2.31 3.22 -0.01 2.90 0.04 -1.26 -4.80 135.00 137.40 1b8t s PRO 176 Ca 0.12 1.09 0.05 0.00 0.04 0.00 0.00 61.00 62.29 1b8t s PRO 176 Cb -0.12 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 1b8t s PRO 176 CO -0.23 -0.88 -0.15 0.21 0.04 0.00 0.00 177.00 175.99 1b8t s LYS 177 N -4.46 2.34 0.00 4.56 2.47 -1.26 -5.12 119.74 118.28 1b8t s LYS 177 Ca 0.61 -0.81 0.00 0.00 -1.56 0.00 0.00 55.97 54.21 1b8t s LYS 177 Cb -0.15 -2.32 0.00 0.00 -1.46 0.00 0.00 37.83 33.90 1b8t s LYS 177 CO 0.44 0.59 0.00 0.41 0.16 0.00 0.00 175.35 176.94 1b8t n GLY 178 N 1.92 4.89 3.53 5.54 0.00 -1.26 -5.18 105.19 114.63 1b8t n GLY 178 Ca -0.16 -1.80 -0.11 0.00 0.00 0.00 0.00 46.02 43.95 1b8t n GLY 178 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1b8t s PHE 179 N 2.24 0.61 0.00 1.61 -0.71 -1.26 -5.18 117.98 115.29 1b8t s PHE 179 Ca 0.00 -0.94 0.00 0.00 -1.04 0.00 0.00 56.93 54.95 1b8t s PHE 179 Cb 0.00 0.07 0.00 0.00 -1.21 0.00 0.00 43.02 41.88 1b8t s PHE 179 CO 0.00 -1.02 0.00 0.41 -1.34 0.00 0.00 175.22 173.27 1b8t n GLY 180 N -0.42 3.55 3.26 1.99 0.00 -1.26 -5.19 105.19 107.12 1b8t n GLY 180 Ca -0.01 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 44.85 1b8t n GLY 180 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b8t s PHE 181 N -3.03 1.39 0.00 1.61 0.40 -1.26 -5.18 117.98 111.91 1b8t s PHE 181 Ca 0.00 -1.35 0.00 0.00 -0.60 0.00 0.00 56.93 54.98 1b8t s PHE 181 Cb 0.00 -0.72 0.00 0.00 0.51 0.00 0.00 43.02 42.81 1b8t s PHE 181 CO 0.00 -0.55 0.00 0.41 0.70 0.00 0.00 175.22 175.78 1b8t n GLY 182 N -0.40 2.33 3.51 4.36 0.00 -1.26 -5.16 105.19 108.56 1b8t n GLY 182 Ca 0.02 -2.11 -0.10 0.00 0.00 0.00 0.00 46.02 43.82 1b8t n GLY 182 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b8t s GLN 183 N -0.74 1.52 0.28 1.61 -0.21 -1.26 -5.18 119.66 115.68 1b8t s GLN 183 Ca 0.00 -1.38 0.03 0.00 0.02 0.00 0.00 55.36 54.03 1b8t s GLN 183 Cb 0.00 0.43 0.03 0.00 1.00 0.00 0.00 33.01 34.47 1b8t s GLN 183 CO 0.00 -0.61 0.21 0.41 -2.12 0.00 0.00 175.29 173.18 1b8t n GLY 184 N -0.38 2.88 3.26 3.09 0.00 -1.26 -5.16 105.19 107.62 1b8t n GLY 184 Ca -0.01 -2.23 -0.14 0.00 0.00 0.00 0.00 46.02 43.64 1b8t n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b8t s ALA 185 N -2.40 1.46 -0.22 4.61 0.00 -1.26 -5.16 121.76 118.80 1b8t s ALA 185 Ca 0.16 -1.53 -0.30 0.00 0.00 0.00 0.00 51.96 50.28 1b8t s ALA 185 Cb -0.01 0.17 0.16 0.00 0.00 0.00 0.00 23.12 23.44 1b8t s ALA 185 CO 0.10 -0.15 1.18 0.20 0.00 0.00 0.00 175.76 177.09 1b8t s GLY 186 N -3.18 -0.12 -0.09 0.00 0.00 -1.26 -5.18 107.32 97.49 1b8t s GLY 186 Ca 0.19 2.32 -0.30 0.00 0.00 0.00 0.00 44.72 46.93 1b8t s GLY 186 CO 0.02 1.00 0.93 0.00 0.00 0.00 0.00 173.10 175.04 1b8t s ALA 187 N -1.25 -1.88 -0.36 3.20 0.00 -1.26 -5.13 121.76 115.08 1b8t s ALA 187 Ca 0.04 1.34 0.07 0.00 0.00 0.00 0.00 51.96 53.41 1b8t s ALA 187 Cb -0.01 -0.20 0.19 0.00 0.00 0.00 0.00 23.12 23.10 1b8t s ALA 187 CO -0.04 -0.46 0.63 -1.17 0.00 0.00 0.00 175.76 174.72 1b8t s LEU 188 N -1.66 -1.54 0.00 0.00 1.98 -1.26 -5.14 118.68 111.07 1b8t s LEU 188 Ca 0.00 -0.39 0.00 0.00 -2.89 0.00 0.00 54.13 50.85 1b8t s LEU 188 Cb -0.01 1.96 0.00 0.00 0.66 0.00 0.00 46.19 48.80 1b8t s LEU 188 CO -0.02 -0.22 0.00 0.00 -1.89 0.00 0.00 176.35 174.23 1b8t n ILE 189 N 4.79 0.00 -2.05 6.68 3.06 -1.26 -4.98 119.36 125.60 1b8t n ILE 189 Ca 0.09 0.00 -0.01 0.00 -2.50 0.00 0.00 62.75 60.33 1b8t n ILE 189 Cb 0.56 -0.19 -0.01 0.00 0.54 0.00 0.00 39.64 40.54 1b8t n ILE 189 CO 0.00 0.00 0.00 1.57 -2.50 0.00 0.00 176.55 175.62 1b8t n HIS 190 N -2.04 -3.50 -3.20 9.51 -0.00 -1.26 -4.73 115.22 110.00 1b8t n HIS 190 Ca 0.00 2.08 -0.23 0.00 0.46 0.00 0.00 57.72 60.03 1b8t n HIS 190 Cb 0.25 -3.35 0.02 0.00 -0.12 0.00 0.00 29.99 26.80 1b8t n HIS 190 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1b8t n SER 191 N 1.33 -6.63 0.00 0.26 3.41 -1.26 -5.16 113.62 105.57 1b8t n SER 191 Ca -0.07 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1b8t n SER 191 Cb 0.10 -3.23 0.00 0.00 -0.26 0.00 0.00 64.21 60.82 1b8t n SER 191 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88