#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 2.50 0.00 0.03 -0.04 -1.26 -4.27 135.00 131.96 1b8t n PRO 2 Ca 0.00 -1.55 0.00 0.00 -0.04 0.00 0.00 63.50 61.91 1b8t n PRO 2 Cb 0.00 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.02 1b8t n PRO 2 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1b8t n ASN 3 N 3.64 0.00 -3.52 3.54 2.85 -1.26 -5.18 115.26 115.33 1b8t n ASN 3 Ca 0.53 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 54.91 1b8t n ASN 3 Cb 0.29 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.29 1b8t n ASN 3 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 1b8t s TRP 4 N 0.00 -0.40 -0.28 1.20 0.51 -1.26 -5.18 118.94 113.53 1b8t s TRP 4 Ca 0.00 0.18 -0.20 0.00 -2.12 0.00 0.00 56.10 53.96 1b8t s TRP 4 Cb 0.00 0.57 0.11 0.00 -0.81 0.00 0.00 33.47 33.35 1b8t s TRP 4 CO 0.00 -0.78 0.90 0.20 -0.51 0.00 0.00 176.95 176.76 1b8t s GLY 5 N -2.69 -0.25 0.00 0.98 0.00 -1.26 -5.16 107.32 98.94 1b8t s GLY 5 Ca 0.04 2.71 0.00 0.00 0.00 0.00 0.00 44.72 47.47 1b8t s GLY 5 CO -0.08 2.22 0.00 0.61 0.00 0.00 0.00 173.10 175.84 1b8t n GLY 6 N 3.25 3.89 0.00 0.20 0.00 -1.26 -5.19 105.19 106.08 1b8t n GLY 6 Ca -0.16 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 0.00 3.55 2.96 -0.02 0.00 -1.26 -4.41 105.19 106.00 1b8t n GLY 7 Ca 0.00 -1.39 -0.26 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.41 1.65 -0.16 1.61 2.47 -0.01 -4.92 119.74 118.97 1b8t s LYS 8 Ca 0.00 -0.33 -0.29 0.00 -1.56 0.00 0.00 55.97 53.78 1b8t s LYS 8 Cb 0.00 -1.57 -0.04 0.00 -1.46 0.00 0.00 37.83 34.76 1b8t s LYS 8 CO 0.00 -0.16 1.62 0.21 0.16 0.00 0.00 175.35 177.17 1b8t s LYS 9 N 1.33 3.94 -0.56 4.03 2.20 -1.26 0.17 119.74 129.59 1b8t s LYS 9 Ca -0.02 1.84 -0.28 0.00 -0.36 0.00 0.00 55.97 57.15 1b8t s LYS 9 Cb -0.14 -4.01 0.03 0.00 -1.51 0.00 0.00 37.83 32.20 1b8t s LYS 9 CO -0.04 -1.12 1.25 0.00 -0.36 0.00 0.00 175.35 175.07 1b8t n GLY 11 N 5.08 -0.96 0.02 0.00 0.00 -1.24 -0.11 105.19 107.99 1b8t n GLY 11 Ca 0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.76 0.35 0.13 1.61 0.31 -1.26 -4.56 118.33 114.14 1b8t n VAL 12 Ca 0.12 0.43 0.02 0.00 -0.01 0.00 0.00 64.34 64.90 1b8t n VAL 12 Cb 0.06 -1.71 0.01 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 -3.20 0.00 -4.42 0.00 7.27 0.84 -5.07 117.38 112.79 1b8t n GLN 14 Ca 0.01 0.05 -0.26 0.00 0.07 0.00 0.00 57.00 56.87 1b8t n GLN 14 Cb 0.74 -2.52 -0.11 0.00 2.41 0.00 0.00 30.24 30.76 1b8t n GLN 14 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1b8t s LYS 15 N -2.88 1.53 0.19 3.69 -0.14 -1.07 -4.89 119.74 116.17 1b8t s LYS 15 Ca 0.00 -1.58 -0.30 0.00 -1.36 0.00 0.00 55.97 52.74 1b8t s LYS 15 Cb 0.00 -1.77 -0.08 0.00 -1.68 0.00 0.00 37.83 34.31 1b8t s LYS 15 CO 0.00 0.37 1.04 0.00 -0.76 0.00 0.00 175.35 175.99 1b8t s ALA 16 N -1.93 3.34 -0.07 5.17 0.00 -1.26 0.04 121.76 127.06 1b8t s ALA 16 Ca 0.23 0.74 -0.03 0.00 0.00 0.00 0.00 51.96 52.90 1b8t s ALA 16 Cb -0.07 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 1b8t s ALA 16 CO 0.11 -0.07 0.07 0.08 0.00 0.00 0.00 175.76 175.94 1b8t s VAL 17 N -0.54 4.79 0.01 0.00 1.01 0.13 -4.86 120.40 120.93 1b8t s VAL 17 Ca 0.46 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.34 1b8t s VAL 17 Cb -0.28 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 1b8t s VAL 17 CO 0.34 0.52 -0.23 -0.47 0.00 0.00 0.00 175.10 175.26 1b8t s TYR 18 N -1.03 2.03 -0.74 5.22 5.04 -1.26 -0.83 117.35 125.78 1b8t s TYR 18 Ca 0.17 -0.39 -0.31 0.00 -2.44 0.00 0.00 57.07 54.10 1b8t s TYR 18 Cb -0.12 -1.27 -0.19 0.00 0.35 0.00 0.00 41.96 40.74 1b8t s TYR 18 CO 0.07 0.02 2.22 0.34 -1.34 0.00 0.00 175.55 176.86 1b8t n PHE 19 N 2.23 0.67 0.01 4.97 7.35 -1.26 -3.72 117.46 127.70 1b8t n PHE 19 Ca -0.16 0.45 0.00 0.00 -0.76 0.00 0.00 57.45 56.98 1b8t n PHE 19 Cb 0.52 -2.07 0.00 0.00 0.35 0.00 0.00 39.48 38.28 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 8.39 0.00 -2.76 3.13 0.00 -1.26 -5.00 120.51 123.00 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 0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 -2.37 1.12 -3.10 0.00 0.28 -1.24 -5.11 120.64 110.22 1b8t n GLU 21 Ca 0.00 -2.65 -0.40 0.00 -0.16 0.00 0.00 57.16 53.95 1b8t n GLU 21 Cb 0.00 -0.90 -0.05 0.00 1.43 0.00 0.00 31.44 31.91 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 -1.54 4.35 -0.25 3.44 -1.05 -1.26 -2.07 118.70 120.33 1b8t s GLU 22 Ca 0.27 0.75 -0.05 0.00 -0.15 0.00 0.00 54.97 55.79 1b8t s GLU 22 Cb 0.40 -3.49 -0.00 0.00 -0.44 0.00 0.00 34.13 30.60 1b8t s GLU 22 CO -0.03 -0.04 0.00 0.08 0.95 0.00 0.00 175.26 176.22 1b8t s VAL 23 N 1.19 3.56 0.35 1.83 1.01 -0.19 -4.94 120.40 123.22 1b8t s VAL 23 Ca 0.33 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 1b8t s VAL 23 Cb -0.17 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 1b8t s VAL 23 CO 0.14 0.29 0.63 -1.10 0.00 0.00 0.00 175.10 175.06 1b8t s GLN 24 N 1.48 3.63 -0.45 2.72 -0.21 -1.26 -0.60 119.66 124.96 1b8t s GLN 24 Ca 0.04 0.08 0.06 0.00 0.02 0.00 0.00 55.36 55.56 1b8t s GLN 24 Cb -0.15 -2.56 0.21 0.00 1.00 0.00 0.00 33.01 31.51 1b8t s GLN 24 CO -0.01 0.09 0.61 0.00 -2.12 0.00 0.00 175.29 173.86 1b8t n GLU 26 N 2.18 0.00 -0.02 0.00 1.02 -1.26 -0.82 120.64 121.74 1b8t n GLU 26 Ca 0.20 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.32 1b8t n GLU 26 Cb 0.55 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.92 1b8t n GLU 26 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b8t n GLY 27 N 0.00 -0.27 3.96 0.62 0.00 -1.26 -5.04 105.19 103.20 1b8t n GLY 27 Ca 0.00 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 1b8t n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b8t s SER 28 N -3.44 4.68 -0.29 1.61 1.04 0.00 -5.11 113.70 112.19 1b8t s SER 28 Ca -0.03 0.08 -0.17 0.00 0.48 0.00 0.00 55.95 56.32 1b8t s SER 28 Cb 0.02 -0.67 0.12 0.00 0.10 0.00 0.00 66.02 65.59 1b8t s SER 28 CO 0.23 -1.64 0.89 -0.94 0.98 0.00 0.00 173.24 172.76 1b8t s SER 29 N -4.58 -0.64 0.20 7.02 1.04 -1.26 0.21 113.70 115.69 1b8t s SER 29 Ca 0.62 1.03 -0.01 0.00 0.48 0.00 0.00 55.95 58.08 1b8t s SER 29 Cb -0.09 1.24 -0.04 0.00 0.10 0.00 0.00 66.02 67.24 1b8t s SER 29 CO 0.43 -0.16 0.11 -0.36 0.98 0.00 0.00 173.24 174.24 1b8t s PHE 30 N 1.34 1.18 0.99 5.02 0.08 0.23 -3.62 117.98 123.19 1b8t s PHE 30 Ca -0.08 -1.33 -0.11 0.00 0.12 0.00 0.00 56.93 55.52 1b8t s PHE 30 Cb -0.04 -0.60 0.19 0.00 -0.57 0.00 0.00 43.02 42.00 1b8t s PHE 30 CO -0.16 -0.58 1.09 -1.01 -0.10 0.00 0.00 175.22 174.47 1b8t s HIS 31 N -4.08 1.67 0.08 0.36 3.76 -1.26 -1.02 115.29 114.81 1b8t s HIS 31 Ca 0.37 1.49 -0.22 0.00 -0.15 0.00 0.00 55.06 56.55 1b8t s HIS 31 Cb 0.07 -3.21 -0.12 0.00 1.11 0.00 0.00 32.58 30.43 1b8t s HIS 31 CO 0.11 -3.08 1.65 0.87 -0.85 0.00 0.00 174.74 173.44 1b8t h LYS 32 N -2.06 0.14 -1.53 1.40 1.57 -1.78 -2.39 116.57 111.94 1b8t h LYS 32 Ca -0.51 -0.02 -0.33 0.00 -1.87 0.00 0.00 60.65 57.92 1b8t h LYS 32 Cb 1.29 -0.03 -0.14 0.00 0.08 0.00 0.00 32.23 33.43 1b8t h LYS 32 CO 0.47 0.21 0.43 -1.13 -0.57 0.00 0.00 179.45 178.86 1b8t n SER 33 N -4.95 6.50 0.03 0.86 3.41 -1.26 -3.89 113.62 114.33 1b8t n SER 33 Ca -0.06 -3.08 0.00 0.00 -0.26 0.00 0.00 58.87 55.47 1b8t n SER 33 Cb 0.09 -1.06 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 1b8t n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b8t n PHE 35 N -3.10 0.33 -3.72 0.00 -0.00 -1.12 -4.82 117.46 105.03 1b8t n PHE 35 Ca 0.00 0.22 -0.12 0.00 -0.00 0.00 0.00 57.45 57.56 1b8t n PHE 35 Cb 0.21 -1.57 -0.11 0.00 -0.00 0.00 0.00 39.48 38.01 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 5.32 0.23 -0.40 -2.13 0.20 -1.26 -1.34 118.68 119.29 1b8t s LEU 36 Ca 1.23 0.77 -0.41 0.00 0.69 0.00 0.00 54.13 56.40 1b8t s LEU 36 Cb -1.02 1.19 -0.16 0.00 -0.43 0.00 0.00 46.19 45.77 1b8t s LEU 36 CO 0.47 -0.17 1.96 0.00 -0.29 0.00 0.00 176.35 178.33 1b8t n MET 38 N 6.57 0.91 0.00 0.00 1.56 -0.51 -0.33 117.12 125.31 1b8t n MET 38 Ca 0.40 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.83 1b8t n MET 38 Cb 0.07 -1.12 0.00 0.00 2.15 0.00 0.00 33.22 34.33 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 -0.36 0.00 0.20 1.12 0.31 -1.26 -4.72 118.33 113.62 1b8t n VAL 39 Ca 0.00 0.20 0.08 0.00 -0.01 0.00 0.00 64.34 64.62 1b8t n VAL 39 Cb 0.06 -1.16 0.29 0.00 -0.91 0.00 0.00 33.84 32.11 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 -3.27 0.00 -3.44 0.00 3.00 0.56 -5.03 118.16 109.97 1b8t n LYS 41 Ca 0.01 0.32 -0.37 0.00 -0.00 0.00 0.00 58.31 58.27 1b8t n LYS 41 Cb 0.54 -3.50 -0.06 0.00 0.00 0.00 0.00 35.03 32.00 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 -2.37 4.21 0.55 1.64 2.36 -1.20 -4.79 119.74 120.14 1b8t s LYS 42 Ca 0.00 0.29 -0.20 0.00 -2.55 0.00 0.00 55.97 53.51 1b8t s LYS 42 Cb 0.00 -3.39 -0.06 0.00 -1.05 0.00 0.00 37.83 33.33 1b8t s LYS 42 CO 0.00 0.30 1.04 0.27 1.55 0.00 0.00 175.35 178.51 1b8t n ASN 43 N 3.27 1.22 -4.07 1.43 6.94 -1.26 0.32 115.26 123.11 1b8t n ASN 43 Ca -0.10 0.89 -0.24 0.00 -0.02 0.00 0.00 54.58 55.11 1b8t n ASN 43 Cb 0.52 -1.41 -0.16 0.00 -2.36 0.00 0.00 39.78 36.37 1b8t n ASN 43 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1b8t s LEU 44 N -1.85 1.79 0.00 -4.53 1.43 -0.45 -4.68 118.68 110.39 1b8t s LEU 44 Ca 0.72 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 1b8t s LEU 44 Cb -0.45 -0.83 0.00 0.00 0.03 0.00 0.00 46.19 44.93 1b8t s LEU 44 CO 0.50 0.09 0.00 -0.67 0.23 0.00 0.00 176.35 176.50 1b8t n ASP 45 N 3.42 0.00 0.00 2.29 -0.08 -1.26 -4.59 116.55 116.32 1b8t n ASP 45 Ca -0.20 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.08 1b8t n ASP 45 Cb 0.53 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.99 1b8t n ASP 45 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1b8t n SER 46 N 0.00 0.00 -2.70 1.67 2.88 -1.26 -5.05 113.62 109.16 1b8t n SER 46 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 1b8t n SER 46 Cb 0.00 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.55 1b8t n SER 46 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1b8t n THR 47 N 0.00 0.00 -2.57 2.46 -1.04 -1.26 -5.00 114.28 106.87 1b8t n THR 47 Ca 0.00 -1.02 -0.01 0.00 -2.04 0.00 0.00 64.05 60.98 1b8t n THR 47 Cb 0.00 1.26 -0.01 0.00 -1.82 0.00 0.00 70.33 69.76 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 0.97 0.00 -4.35 12.58 5.66 -1.26 -5.12 114.28 122.75 1b8t n THR 48 Ca 0.02 -0.25 -0.23 0.00 -3.05 0.00 0.00 64.05 60.53 1b8t n THR 48 Cb 0.71 0.52 -0.08 0.00 -1.55 0.00 0.00 70.33 69.93 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 0.01 3.12 0.18 1.08 0.11 -1.26 -1.23 120.40 122.41 1b8t s VAL 49 Ca 0.01 -2.08 -0.10 0.00 -2.93 0.00 0.00 61.98 56.88 1b8t s VAL 49 Cb 0.02 -2.66 -0.01 0.00 -1.53 0.00 0.00 36.38 32.21 1b8t s VAL 49 CO -0.01 -0.38 0.33 0.00 -3.33 0.00 0.00 175.10 171.71 1b8t s ALA 50 N -2.38 -0.07 0.33 1.54 0.00 -0.23 -4.73 121.76 116.22 1b8t s ALA 50 Ca 0.31 -0.85 0.10 0.00 0.00 0.00 0.00 51.96 51.51 1b8t s ALA 50 Cb -0.06 0.91 -0.06 0.00 0.00 0.00 0.00 23.12 23.91 1b8t s ALA 50 CO 0.18 -0.69 -0.10 0.08 0.00 0.00 0.00 175.76 175.23 1b8t s VAL 51 N -3.97 2.33 -0.28 0.00 1.01 -1.26 -1.41 120.40 116.82 1b8t s VAL 51 Ca 0.18 -2.22 -0.17 0.00 0.00 0.00 0.00 61.98 59.77 1b8t s VAL 51 Cb 0.03 -2.60 0.08 0.00 0.00 0.00 0.00 36.38 33.88 1b8t s VAL 51 CO 0.01 -0.24 0.69 -2.28 0.00 0.00 0.00 175.10 173.28 1b8t s HIS 52 N -2.58 -1.02 0.00 5.22 2.46 -0.39 -4.85 115.29 114.13 1b8t s HIS 52 Ca 0.32 2.09 0.00 0.00 0.47 0.00 0.00 55.06 57.94 1b8t s HIS 52 Cb 0.01 0.58 0.00 0.00 -0.13 0.00 0.00 32.58 33.04 1b8t s HIS 52 CO 0.17 -0.50 0.00 0.41 -2.47 0.00 0.00 174.74 172.34 1b8t n GLY 53 N 4.07 1.97 2.51 1.59 0.00 -1.26 0.26 105.19 114.33 1b8t n GLY 53 Ca -0.19 0.50 -0.28 0.00 0.00 0.00 0.00 46.02 46.05 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 3.98 4.98 -3.81 1.61 8.00 -1.26 -5.01 116.55 125.03 1b8t n ASP 54 Ca 0.00 -3.73 -0.06 0.00 0.71 0.00 0.00 54.79 51.71 1b8t n ASP 54 Cb 0.00 -0.51 -0.02 0.00 -0.02 0.00 0.00 41.12 40.57 1b8t n ASP 54 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1b8t s GLU 55 N -3.59 1.68 0.04 -1.24 0.41 0.14 -5.08 118.70 111.05 1b8t s GLU 55 Ca 0.48 -0.93 0.08 0.00 -0.41 0.00 0.00 54.97 54.19 1b8t s GLU 55 Cb 0.40 0.57 -0.03 0.00 -1.78 0.00 0.00 34.13 33.29 1b8t s GLU 55 CO -0.20 -0.77 -0.22 0.96 -0.49 0.00 0.00 175.26 174.54 1b8t s ILE 56 N -3.74 2.51 0.02 -1.63 -4.36 -1.26 -1.27 121.20 111.47 1b8t s ILE 56 Ca 0.11 -1.25 -0.03 0.00 -0.26 0.00 0.00 60.65 59.23 1b8t s ILE 56 Cb -0.05 -2.01 -0.01 0.00 1.25 0.00 0.00 42.46 41.63 1b8t s ILE 56 CO 0.06 0.37 0.04 -0.31 0.24 0.00 0.00 174.94 175.34 1b8t s TYR 57 N -0.85 0.20 0.31 1.37 1.51 -0.50 -1.43 117.35 117.95 1b8t s TYR 57 Ca 0.13 -0.43 -0.23 0.00 -1.01 0.00 0.00 57.07 55.53 1b8t s TYR 57 Cb -0.10 -0.15 -0.10 0.00 -0.11 0.00 0.00 41.96 41.50 1b8t s TYR 57 CO 0.03 -0.26 0.87 0.00 -1.11 0.00 0.00 175.55 175.09 1b8t n LYS 59 N 0.33 -0.16 -0.27 0.00 0.00 -0.36 0.10 118.16 117.81 1b8t n LYS 59 Ca 0.02 1.07 0.06 0.00 0.00 0.00 0.00 58.31 59.45 1b8t n LYS 59 Cb 0.51 -1.58 0.12 0.00 0.00 0.00 0.00 35.03 34.08 1b8t n LYS 59 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1b8t n SER 60 N -3.78 -0.24 0.36 3.14 2.88 -1.26 0.12 113.62 114.84 1b8t n SER 60 Ca 0.01 1.29 -0.16 0.00 -1.33 0.00 0.00 58.87 58.67 1b8t n SER 60 Cb 0.09 -0.40 -0.08 0.00 -0.75 0.00 0.00 64.21 63.07 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 -1.09 -0.94 0.00 0.00 3.20 0.47 1.61 116.97 120.22 1b8t h TYR 62 Ca -0.09 0.10 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 1b8t h TYR 62 Cb 0.73 0.56 -0.01 0.00 1.54 0.00 0.00 36.73 39.55 1b8t h TYR 62 CO -0.00 -0.41 -0.39 0.78 -1.64 0.00 0.00 178.16 176.49 1b8t h GLY 63 N -0.00 0.00 0.80 1.82 0.00 -0.40 -1.05 103.07 104.23 1b8t h GLY 63 Ca 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.70 1b8t h GLY 63 CO -0.99 0.00 0.02 0.50 0.00 0.00 0.00 176.54 176.07 1b8t h LYS 64 N 0.00 0.12 0.16 4.80 6.56 0.51 0.41 116.57 129.13 1b8t h LYS 64 Ca -0.00 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.55 1b8t h LYS 64 Cb 0.74 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.38 1b8t h LYS 64 CO 0.05 0.31 -0.08 0.87 -2.06 0.00 0.00 179.45 178.54 1b8t h LYS 65 N -0.09 -0.20 -0.12 3.15 1.57 -0.18 -2.57 116.57 118.13 1b8t h LYS 65 Ca 0.02 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1b8t h LYS 65 Cb 0.24 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1b8t h LYS 65 CO 0.00 0.06 0.10 1.88 -0.57 0.00 0.00 179.45 180.93 1b8t h TYR 66 N -0.46 0.00 -2.87 -1.35 0.05 -1.16 -3.19 116.97 107.99 1b8t h TYR 66 Ca -0.02 0.00 -0.61 0.00 0.05 0.00 0.00 58.73 58.15 1b8t h TYR 66 Cb 0.36 0.00 -0.42 0.00 1.01 0.00 0.00 36.73 37.68 1b8t h TYR 66 CO 0.01 0.00 -0.62 0.41 -1.05 0.00 0.00 178.16 176.91 1b8t n GLY 67 N -1.46 3.96 3.76 3.88 0.00 0.15 -5.06 105.19 110.41 1b8t n GLY 67 Ca -0.00 -2.49 -0.30 0.00 0.00 0.00 0.00 46.02 43.23 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 -1.49 -0.61 0.26 1.61 0.04 -1.12 -4.63 135.00 129.07 1b8t s PRO 68 Ca 0.28 -0.38 0.00 0.00 0.04 0.00 0.00 61.00 60.94 1b8t s PRO 68 Cb -0.00 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.84 1b8t s PRO 68 CO -0.15 -3.25 0.00 1.63 0.04 0.00 0.00 177.00 175.27 1b8t n LYS 69 N -4.37 -3.87 0.00 4.56 4.01 -1.26 -5.06 118.16 112.17 1b8t n LYS 69 Ca 0.16 2.80 0.00 0.00 -0.51 0.00 0.00 58.31 60.76 1b8t n LYS 69 Cb 0.59 -3.05 0.00 0.00 -0.51 0.00 0.00 35.03 32.06 1b8t n LYS 69 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1b8t n GLY 70 N 0.42 -1.62 3.42 0.72 0.00 -1.26 -5.18 105.19 101.69 1b8t n GLY 70 Ca 0.00 0.61 -0.15 0.00 0.00 0.00 0.00 46.02 46.48 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 0.00 1.76 0.23 1.61 0.00 -1.26 -5.19 119.74 116.89 1b8t s LYS 71 Ca 0.00 -1.75 -0.22 0.00 0.00 0.00 0.00 55.97 54.00 1b8t s LYS 71 Cb 0.00 0.40 0.05 0.00 0.00 0.00 0.00 37.83 38.28 1b8t s LYS 71 CO 0.00 -0.70 0.88 0.20 0.00 0.00 0.00 175.35 175.73 1b8t s GLY 72 N -3.24 -0.04 -0.28 0.59 0.00 -1.26 -5.18 107.32 97.91 1b8t s GLY 72 Ca 0.33 -0.21 -0.23 0.00 0.00 0.00 0.00 44.72 44.61 1b8t s GLY 72 CO 0.20 0.30 0.89 0.54 0.00 0.00 0.00 173.10 175.03 1b8t s LYS 73 N -3.13 0.61 0.00 2.90 1.02 -1.26 -5.18 119.74 114.71 1b8t s LYS 73 Ca 0.14 0.80 0.00 0.00 0.02 0.00 0.00 55.97 56.93 1b8t s LYS 73 Cb -0.03 0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.54 1b8t s LYS 73 CO 0.06 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 174.81 1b8t n GLY 74 N 2.79 -0.95 3.31 -3.33 0.00 -1.26 -5.18 105.19 100.57 1b8t n GLY 74 Ca -0.15 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.64 1b8t n GLY 74 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1b8t s MET 75 N -2.00 1.05 0.00 1.61 0.23 -1.26 -5.17 119.30 113.76 1b8t s MET 75 Ca 0.00 -0.74 0.00 0.00 -1.03 0.00 0.00 55.69 53.92 1b8t s MET 75 Cb 0.00 0.46 0.00 0.00 -1.53 0.00 0.00 34.83 33.76 1b8t s MET 75 CO 0.00 -0.41 0.00 0.41 -2.03 0.00 0.00 175.02 172.99 1b8t n GLY 76 N -0.21 2.74 3.80 3.16 0.00 -1.26 -5.19 105.19 108.22 1b8t n GLY 76 Ca -0.16 -0.54 -0.05 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.49 0.00 4.61 0.00 -1.26 -5.18 121.76 116.44 1b8t s ALA 77 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.91 1b8t s ALA 77 Cb 0.00 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.83 1b8t s ALA 77 CO 0.00 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.13 1b8t n GLY 78 N -0.47 3.92 3.59 0.00 0.00 -1.26 -5.19 105.19 105.78 1b8t n GLY 78 Ca -0.05 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.94 0.00 -0.02 2.61 -1.32 -1.26 -5.17 115.64 109.54 1b8t s THR 79 Ca 0.00 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.47 1b8t s THR 79 Cb 0.00 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.00 1b8t s THR 79 CO 0.00 0.00 0.04 -0.22 -2.21 0.00 0.00 174.62 172.23 1b8t s LEU 80 N -0.64 1.56 -0.10 9.08 2.96 -1.26 -5.15 118.68 125.13 1b8t s LEU 80 Ca -0.02 0.07 -0.07 0.00 -0.22 0.00 0.00 54.13 53.89 1b8t s LEU 80 Cb -0.02 0.06 0.03 0.00 0.50 0.00 0.00 46.19 46.76 1b8t s LEU 80 CO 0.01 -0.06 0.25 -0.44 -1.32 0.00 0.00 176.35 174.79 1b8t s SER 81 N 0.43 -0.26 -0.16 3.68 0.01 -1.26 -5.14 113.70 110.99 1b8t s SER 81 Ca -0.03 0.51 -0.13 0.00 1.31 0.00 0.00 55.95 57.61 1b8t s SER 81 Cb -0.05 0.46 -0.05 0.00 0.21 0.00 0.00 66.02 66.60 1b8t s SER 81 CO -0.01 -0.12 0.26 0.28 0.41 0.00 0.00 173.24 174.06 1b8t s THR 82 N 0.64 5.32 -0.21 1.44 -1.32 -1.26 -5.07 115.64 115.18 1b8t s THR 82 Ca -0.04 0.48 -0.03 0.00 -1.21 0.00 0.00 61.69 60.89 1b8t s THR 82 Cb -0.06 -3.60 -0.00 0.00 -1.51 0.00 0.00 72.50 67.33 1b8t s THR 82 CO -0.04 0.41 -0.07 1.51 -2.21 0.00 0.00 174.62 174.22 1b8t s ASP 83 N 0.38 4.12 -0.29 8.08 -4.77 -1.26 -5.06 116.67 117.87 1b8t s ASP 83 Ca 0.15 -0.43 -0.16 0.00 -3.30 0.00 0.00 52.55 48.81 1b8t s ASP 83 Cb -0.13 -1.70 0.17 0.00 -1.09 0.00 0.00 42.92 40.17 1b8t s ASP 83 CO 0.03 -0.02 1.07 -0.75 0.70 0.00 0.00 175.17 176.20 1b8t s LYS 84 N 1.45 0.26 -0.30 2.11 2.20 -1.26 -5.15 119.74 119.06 1b8t s LYS 84 Ca 0.06 0.47 -0.08 0.00 -0.36 0.00 0.00 55.97 56.05 1b8t s LYS 84 Cb -0.14 0.07 0.18 0.00 -1.51 0.00 0.00 37.83 36.44 1b8t s LYS 84 CO -0.05 -0.06 0.90 0.20 -0.36 0.00 0.00 175.35 175.99 1b8t s GLY 85 N 1.32 -0.65 -0.09 5.54 0.00 -1.26 -4.89 107.32 107.29 1b8t s GLY 85 Ca -0.08 2.32 -0.30 0.00 0.00 0.00 0.00 44.72 46.67 1b8t s GLY 85 CO -0.13 3.73 1.01 -0.54 0.00 0.00 0.00 173.10 177.17 1b8t s GLU 86 N 2.92 4.44 -0.42 2.90 8.01 -1.26 -5.01 118.70 130.28 1b8t s GLU 86 Ca 0.09 1.41 -0.06 0.00 0.01 0.00 0.00 54.97 56.42 1b8t s GLU 86 Cb -0.10 -3.53 0.10 0.00 -4.31 0.00 0.00 34.13 26.29 1b8t s GLU 86 CO -0.16 -0.28 0.24 -1.12 0.01 0.00 0.00 175.26 173.95 1b8t s SER 87 N 1.10 5.46 -0.12 -0.19 0.01 -1.26 -5.03 113.70 113.67 1b8t s SER 87 Ca 0.49 -1.78 -0.04 0.00 1.31 0.00 0.00 55.95 55.93 1b8t s SER 87 Cb -0.19 -1.92 0.06 0.00 0.21 0.00 0.00 66.02 64.18 1b8t s SER 87 CO 0.20 -0.56 0.15 -1.48 0.41 0.00 0.00 173.24 171.96 1b8t s LEU 88 N 1.29 0.01 0.00 2.44 0.05 -1.26 -4.92 118.68 116.29 1b8t s LEU 88 Ca 0.05 0.02 0.00 0.00 0.05 0.00 0.00 54.13 54.25 1b8t s LEU 88 Cb -0.24 0.16 0.00 0.00 -2.05 0.00 0.00 46.19 44.07 1b8t s LEU 88 CO -0.01 -0.28 0.00 0.61 -0.55 0.00 0.00 176.35 176.12 1b8t n GLY 89 N 5.31 2.61 1.99 -3.48 0.00 -1.26 -5.06 105.19 105.30 1b8t n GLY 89 Ca -0.05 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1b8t n GLY 89 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1b8t n ILE 90 N 0.00-13.07 -4.08 -0.61 0.00 -1.26 -5.06 119.36 95.28 1b8t n ILE 90 Ca 0.00 3.27 -0.09 0.00 0.00 0.00 0.00 62.75 65.93 1b8t n ILE 90 Cb 0.00 -5.40 -0.10 0.00 0.00 0.00 0.00 39.64 34.14 1b8t n ILE 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1b8t s LYS 91 N -0.77 0.59 0.37 9.51 -0.14 -1.26 -5.17 119.74 122.87 1b8t s LYS 91 Ca 0.00 -1.04 0.07 0.00 -1.36 0.00 0.00 55.97 53.64 1b8t s LYS 91 Cb 0.00 -0.01 -0.01 0.00 -1.68 0.00 0.00 37.83 36.13 1b8t s LYS 91 CO 0.00 -0.04 0.41 1.52 -0.76 0.00 0.00 175.35 176.47 1b8t s TYR 92 N -2.87 2.91 -0.23 3.18 -0.85 -1.26 -5.13 117.35 113.10 1b8t s TYR 92 Ca 0.00 -0.33 -0.26 0.00 -0.52 0.00 0.00 57.07 55.96 1b8t s TYR 92 Cb 0.00 -2.03 0.09 0.00 0.38 0.00 0.00 41.96 40.41 1b8t s TYR 92 CO -0.05 -0.03 0.84 -1.83 -1.52 0.00 0.00 175.55 172.96 1b8t s GLU 93 N -4.13 0.75 -0.85 -3.49 -1.05 -1.26 -5.09 118.70 103.58 1b8t s GLU 93 Ca 0.46 0.68 0.01 0.00 -0.15 0.00 0.00 54.97 55.97 1b8t s GLU 93 Cb -0.07 0.36 0.26 0.00 -0.44 0.00 0.00 34.13 34.24 1b8t s GLU 93 CO 0.29 -0.13 1.00 0.39 0.95 0.00 0.00 175.26 177.76 1b8t n GLU 94 N 2.08 3.19 -3.69 -4.83 -0.58 -1.26 -4.98 120.64 110.57 1b8t n GLU 94 Ca -0.14 -4.59 -0.12 0.00 -0.42 0.00 0.00 57.16 51.89 1b8t n GLU 94 Cb 0.56 -2.38 -0.12 0.00 -0.57 0.00 0.00 31.44 28.93 1b8t n GLU 94 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1b8t s GLY 95 N -1.68 -0.18 -0.11 0.62 0.00 -1.26 -5.13 107.32 99.58 1b8t s GLY 95 Ca 0.34 1.11 -0.30 0.00 0.00 0.00 0.00 44.72 45.88 1b8t s GLY 95 CO -0.00 1.73 1.14 1.20 0.00 0.00 0.00 173.10 177.16 1b8t s GLN 96 N 1.88 4.34 0.07 2.90 -0.21 -1.26 -5.03 119.66 122.35 1b8t s GLN 96 Ca -0.04 1.55 0.03 0.00 0.02 0.00 0.00 55.36 56.92 1b8t s GLN 96 Cb -0.11 -3.60 -0.04 0.00 1.00 0.00 0.00 33.01 30.26 1b8t s GLN 96 CO -0.10 -0.48 0.07 -1.54 -2.12 0.00 0.00 175.29 171.12 1b8t s SER 97 N 1.42 5.47 -0.00 5.90 1.04 -1.26 -5.05 113.70 121.21 1b8t s SER 97 Ca 0.52 -0.01 -0.17 0.00 0.48 0.00 0.00 55.95 56.76 1b8t s SER 97 Cb -0.21 -1.46 -0.10 0.00 0.10 0.00 0.00 66.02 64.35 1b8t s SER 97 CO 0.17 0.19 0.86 -0.74 0.98 0.00 0.00 173.24 174.70 1b8t h HIS 98 N 3.43 -0.58 -1.04 5.02 2.76 -2.10 -3.48 115.15 119.16 1b8t h HIS 98 Ca -0.47 -0.01 0.24 0.00 -2.20 0.00 0.00 60.37 57.93 1b8t h HIS 98 Cb 1.17 0.19 -0.28 0.00 1.55 0.00 0.00 27.41 30.03 1b8t h HIS 98 CO 0.61 -0.36 0.96 -0.98 -1.30 0.00 0.00 177.93 176.86 1b8t s ARG 99 N -3.74 0.04 0.82 5.26 1.70 -1.26 -5.17 118.95 116.60 1b8t s ARG 99 Ca -0.09 0.01 -0.12 0.00 -0.47 0.00 0.00 55.73 55.07 1b8t s ARG 99 Cb 0.01 0.02 0.08 0.00 -0.57 0.00 0.00 34.95 34.49 1b8t s ARG 99 CO 0.27 -0.01 1.10 -1.25 -1.08 0.00 0.00 175.30 174.34 1b8t s PRO 100 N -0.89 1.90 0.00 3.89 0.04 -1.26 -5.02 135.00 133.67 1b8t s PRO 100 Ca 0.09 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.70 1b8t s PRO 100 Cb -0.01 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1b8t s PRO 100 CO -0.09 -1.73 0.00 -2.37 0.04 0.00 0.00 177.00 172.85 1b8t n THR 101 N -3.50 0.00 0.00 1.26 5.66 -1.26 -5.06 114.28 111.38 1b8t n THR 101 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1b8t n THR 101 Cb 0.57 -1.38 0.00 0.00 -1.55 0.00 0.00 70.33 67.97 1b8t n THR 101 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1b8t n ASN 102 N -2.94 0.00 -4.56 1.09 2.85 -1.26 -5.10 115.26 105.35 1b8t n ASN 102 Ca 0.00 0.00 -0.36 0.00 -0.11 0.00 0.00 54.58 54.11 1b8t n ASN 102 Cb 0.49 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.47 1b8t n ASN 102 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1b8t s PRO 103 N 0.00 3.04 0.16 1.20 0.04 -1.26 -4.91 135.00 133.27 1b8t s PRO 103 Ca 0.00 -0.46 -0.01 0.00 0.04 0.00 0.00 61.00 60.57 1b8t s PRO 103 Cb 0.00 -4.95 -0.04 0.00 0.04 0.00 0.00 34.50 29.55 1b8t s PRO 103 CO 0.00 -2.68 0.09 -0.80 0.04 0.00 0.00 177.00 173.65 1b8t s ASN 104 N 6.29 0.23 -0.06 6.66 0.01 -1.26 -5.05 114.94 121.77 1b8t s ASN 104 Ca 0.56 -1.29 -0.04 0.00 -0.71 0.00 0.00 52.86 51.38 1b8t s ASN 104 Cb -0.05 0.34 0.02 0.00 0.41 0.00 0.00 41.25 41.96 1b8t s ASN 104 CO 0.01 -0.78 0.09 0.00 -1.51 0.00 0.00 177.10 174.91 1b8t n ALA 105 N -0.18 -2.76 -3.15 0.60 0.00 -1.26 -5.08 120.51 108.68 1b8t n ALA 105 Ca -0.02 1.11 0.06 0.00 0.00 0.00 0.00 53.44 54.58 1b8t n ALA 105 Cb 0.65 -2.42 -0.01 0.00 0.00 0.00 0.00 19.45 17.67 1b8t n ALA 105 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1b8t s SER 106 N -0.53 -0.23 0.03 0.00 1.04 -1.26 -5.17 113.70 107.59 1b8t s SER 106 Ca -0.10 0.08 0.07 0.00 0.48 0.00 0.00 55.95 56.48 1b8t s SER 106 Cb 0.01 1.17 -0.03 0.00 0.10 0.00 0.00 66.02 67.26 1b8t s SER 106 CO 0.28 -0.04 -0.19 -0.13 0.98 0.00 0.00 173.24 174.13 1b8t s ARG 107 N 2.98 2.06 -0.28 4.02 3.00 -1.26 -4.87 118.95 124.60 1b8t s ARG 107 Ca 0.11 -0.98 -0.27 0.00 0.00 0.00 0.00 55.73 54.59 1b8t s ARG 107 Cb -0.05 -2.17 0.18 0.00 0.00 0.00 0.00 34.95 32.91 1b8t s ARG 107 CO -0.15 0.54 1.34 0.00 0.00 0.00 0.00 175.30 177.03 1b8t s MET 108 N -1.34 0.15 0.06 3.54 0.23 -1.26 -5.18 119.30 115.51 1b8t s MET 108 Ca 0.14 0.11 0.04 0.00 -1.03 0.00 0.00 55.69 54.95 1b8t s MET 108 Cb -0.10 0.07 -0.03 0.00 -1.53 0.00 0.00 34.83 33.24 1b8t s MET 108 CO 0.04 -0.03 -0.12 0.00 -2.03 0.00 0.00 175.02 172.89 1b8t s ALA 109 N -0.36 0.95 -0.26 3.16 0.00 -1.26 -5.10 121.76 118.88 1b8t s ALA 109 Ca 0.07 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.08 1b8t s ALA 109 Cb -0.03 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.07 1b8t s ALA 109 CO -0.11 0.09 -0.03 -1.14 0.00 0.00 0.00 175.76 174.57 1b8t s GLN 110 N -1.72 2.95 0.81 0.00 2.00 -1.26 -5.10 119.66 117.34 1b8t s GLN 110 Ca -0.05 -0.91 -0.08 0.00 -2.00 0.00 0.00 55.36 52.32 1b8t s GLN 110 Cb -0.10 -3.08 0.15 0.00 0.80 0.00 0.00 33.01 30.78 1b8t s GLN 110 CO 0.01 -0.39 1.13 0.21 -0.50 0.00 0.00 175.29 175.75 1b8t s LYS 111 N 1.38 1.35 -1.27 1.67 2.20 -1.26 -4.91 119.74 118.89 1b8t s LYS 111 Ca 0.01 -0.70 -0.10 0.00 -0.36 0.00 0.00 55.97 54.83 1b8t s LYS 111 Cb -0.16 -2.11 -0.07 0.00 -1.51 0.00 0.00 37.83 33.97 1b8t s LYS 111 CO -0.03 -1.80 2.49 1.33 -0.36 0.00 0.00 175.35 176.98 1b8t n VAL 112 N -3.22 3.32 -3.54 4.02 0.24 -1.26 -4.88 118.33 113.01 1b8t n VAL 112 Ca 0.14 -2.12 -0.38 0.00 -2.04 0.00 0.00 64.34 59.95 1b8t n VAL 112 Cb 0.60 -2.41 -0.06 0.00 -1.47 0.00 0.00 33.84 30.50 1b8t n VAL 112 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1b8t s GLY 113 N 2.97 2.38 0.00 7.63 0.00 -1.26 -4.68 107.32 114.36 1b8t s GLY 113 Ca 0.55 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.95 1b8t s GLY 113 CO -0.04 0.19 0.00 0.61 0.00 0.00 0.00 173.10 173.86 1b8t n GLY 114 N 2.26 0.24 3.71 0.20 0.00 -1.26 -5.13 105.19 105.21 1b8t n GLY 114 Ca -0.14 0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1b8t n GLY 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b8t s SER 115 N -1.32 4.04 0.00 1.61 1.04 -1.26 -5.00 113.70 112.81 1b8t s SER 115 Ca 0.00 2.41 0.00 0.00 0.48 0.00 0.00 55.95 58.84 1b8t s SER 115 Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1b8t s SER 115 CO 0.00 -2.37 0.00 -0.67 0.98 0.00 0.00 173.24 171.18 1b8t n ASP 116 N -2.78 0.00 -4.24 7.02 2.03 -0.56 -5.06 116.55 112.95 1b8t n ASP 116 Ca 0.14 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.24 1b8t n ASP 116 Cb 0.50 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.80 1b8t n ASP 116 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1b8t s GLY 117 N -0.00 2.15 -0.44 0.27 0.00 -1.26 -0.11 107.32 107.93 1b8t s GLY 117 Ca 0.00 -1.73 -0.15 0.00 0.00 0.00 0.00 44.72 42.84 1b8t s GLY 117 CO 0.00 -1.73 0.34 0.00 0.00 0.00 0.00 173.10 171.72 1b8t n PRO 119 N 5.18 0.58 -0.00 0.00 -0.04 -1.26 0.54 135.00 139.99 1b8t n PRO 119 Ca -0.12 0.03 -0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1b8t n PRO 119 Cb 0.45 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.11 0.03 0.11 0.54 0.00 -1.26 -4.64 116.66 110.33 1b8t n ARG 120 Ca 0.15 0.23 -0.18 0.00 -0.00 0.00 0.00 57.85 58.05 1b8t n ARG 120 Cb 0.12 -0.77 -0.14 0.00 0.00 0.00 0.00 32.46 31.67 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 1.58 1.69 3.77 0.00 0.00 0.19 -5.07 105.19 107.35 1b8t n GLY 122 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 1b8t n GLY 122 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b8t s GLN 123 N -0.10 3.85 1.06 1.61 1.11 -1.24 -4.23 119.66 121.72 1b8t s GLN 123 Ca 0.00 2.46 -0.15 0.00 0.01 0.00 0.00 55.36 57.68 1b8t s GLN 123 Cb 0.00 -2.77 0.12 0.00 -1.01 0.00 0.00 33.01 29.35 1b8t s GLN 123 CO 0.00 -0.70 0.43 0.00 0.01 0.00 0.00 175.29 175.03 1b8t n ALA 124 N 0.06 -3.12 -3.75 6.09 0.00 -1.26 0.23 120.51 118.77 1b8t n ALA 124 Ca 0.04 -0.99 -0.24 0.00 0.00 0.00 0.00 53.44 52.25 1b8t n ALA 124 Cb 0.41 -1.76 -0.17 0.00 0.00 0.00 0.00 19.45 17.93 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 -2.36 0.35 0.00 0.00 1.01 0.85 -4.35 120.40 115.90 1b8t s VAL 125 Ca 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1b8t s VAL 125 Cb -0.18 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.59 1b8t s VAL 125 CO 0.66 0.13 0.00 0.00 0.00 0.00 0.00 175.10 175.88 1b8t n TYR 126 N 5.15 0.00 -1.98 5.22 9.36 -1.26 -1.50 117.16 132.14 1b8t n TYR 126 Ca -0.07 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.82 1b8t n TYR 126 Cb 0.49 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.15 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 0.00 2.32 -1.47 2.98 0.00 -1.26 -4.75 120.51 118.34 1b8t n ALA 127 Ca 0.00 -3.18 0.14 0.00 0.00 0.00 0.00 53.44 50.40 1b8t n ALA 127 Cb 0.00 -3.52 -0.08 0.00 0.00 0.00 0.00 19.45 15.85 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 12.46 -3.39 -2.87 0.00 0.00 -1.26 -4.90 120.51 120.56 1b8t n ALA 128 Ca 0.46 0.83 -0.11 0.00 0.00 0.00 0.00 53.44 54.63 1b8t n ALA 128 Cb 0.45 -1.55 0.06 0.00 0.00 0.00 0.00 19.45 18.41 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 -3.99 -3.77 -4.90 0.00 4.07 -1.26 -5.02 120.64 105.78 1b8t n GLU 129 Ca -0.08 0.55 -0.33 0.00 -0.06 0.00 0.00 57.16 57.25 1b8t n GLU 129 Cb 0.63 -4.62 -0.14 0.00 -0.06 0.00 0.00 31.44 27.25 1b8t n GLU 129 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1b8t s LYS 130 N -4.70 3.04 0.05 5.31 2.20 -1.26 -3.42 119.74 120.96 1b8t s LYS 130 Ca 0.06 -0.73 0.06 0.00 -0.36 0.00 0.00 55.97 54.99 1b8t s LYS 130 Cb -0.01 -2.49 -0.02 0.00 -1.51 0.00 0.00 37.83 33.80 1b8t s LYS 130 CO 0.47 0.34 -0.16 0.54 -0.36 0.00 0.00 175.35 176.18 1b8t s VAL 131 N 0.01 1.29 -0.18 4.02 0.11 0.12 -4.68 120.40 121.07 1b8t s VAL 131 Ca -0.05 -1.14 0.01 0.00 -2.93 0.00 0.00 61.98 57.87 1b8t s VAL 131 Cb -0.14 -1.16 0.04 0.00 -1.53 0.00 0.00 36.38 33.58 1b8t s VAL 131 CO 0.04 0.01 -0.12 -0.63 -3.33 0.00 0.00 175.10 171.07 1b8t s ILE 132 N -0.93 1.65 -0.04 7.04 1.09 -1.26 -0.78 121.20 127.97 1b8t s ILE 132 Ca 0.03 -0.91 -0.14 0.00 -1.10 0.00 0.00 60.65 58.53 1b8t s ILE 132 Cb -0.09 -1.66 0.03 0.00 -1.06 0.00 0.00 42.46 39.68 1b8t s ILE 132 CO 0.02 0.27 0.32 -0.83 -0.10 0.00 0.00 174.94 174.62 1b8t s GLY 133 N 1.41 -0.18 -1.06 6.18 0.00 0.14 -4.93 107.32 108.88 1b8t s GLY 133 Ca 0.01 0.48 -0.18 0.00 0.00 0.00 0.00 44.72 45.02 1b8t s GLY 133 CO -0.09 0.28 0.73 0.00 0.00 0.00 0.00 173.10 174.02 1b8t n ALA 134 N 1.64 -2.61 -3.42 3.20 0.00 -1.26 -0.03 120.51 118.03 1b8t n ALA 134 Ca -0.20 -0.30 -0.24 0.00 0.00 0.00 0.00 53.44 52.71 1b8t n ALA 134 Cb 0.56 -2.92 -0.04 0.00 0.00 0.00 0.00 19.45 17.04 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 -1.77 -0.37 3.34 0.00 0.00 -1.26 -4.74 105.19 100.38 1b8t n GLY 135 Ca -0.13 0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 -5.55 1.30 0.05 1.61 1.02 0.95 -5.11 119.74 114.01 1b8t s LYS 136 Ca 0.46 -1.46 0.07 0.00 0.02 0.00 0.00 55.97 55.05 1b8t s LYS 136 Cb -0.27 0.34 -0.02 0.00 -0.52 0.00 0.00 37.83 37.36 1b8t s LYS 136 CO 0.57 -0.47 -0.18 -1.12 -0.92 0.00 0.00 175.35 173.22 1b8t s SER 137 N -3.09 2.19 0.35 2.83 0.01 -1.26 0.24 113.70 114.96 1b8t s SER 137 Ca 0.31 -0.52 -0.12 0.00 1.31 0.00 0.00 55.95 56.93 1b8t s SER 137 Cb 0.04 -0.16 0.05 0.00 0.21 0.00 0.00 66.02 66.16 1b8t s SER 137 CO 0.10 0.10 0.68 0.79 0.41 0.00 0.00 173.24 175.32 1b8t n TRP 138 N 1.78 -2.14 -2.83 2.43 7.02 0.04 -4.12 117.44 119.62 1b8t n TRP 138 Ca -0.18 -1.68 -0.41 0.00 -1.02 0.00 0.00 57.50 54.22 1b8t n TRP 138 Cb 0.54 0.79 -0.04 0.00 -2.42 0.00 0.00 31.31 30.18 1b8t n TRP 138 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 1b8t s HIS 139 N -3.00 3.76 -0.68 -5.99 3.76 -1.26 0.11 115.29 111.99 1b8t s HIS 139 Ca 0.15 1.65 -0.12 0.00 -0.15 0.00 0.00 55.06 56.59 1b8t s HIS 139 Cb -0.04 -2.97 -0.10 0.00 1.11 0.00 0.00 32.58 30.58 1b8t s HIS 139 CO 0.11 0.20 1.86 1.17 -0.85 0.00 0.00 174.74 177.23 1b8t n LYS 140 N 2.98 1.47 0.00 1.40 4.81 -1.22 -2.35 118.16 125.26 1b8t n LYS 140 Ca 0.01 -1.42 0.00 0.00 -0.87 0.00 0.00 58.31 56.03 1b8t n LYS 140 Cb 0.50 -2.54 0.00 0.00 0.02 0.00 0.00 35.03 33.01 1b8t n LYS 140 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1b8t n SER 141 N 5.67 -0.04 -0.26 3.14 7.64 -1.26 -4.79 113.62 123.72 1b8t n SER 141 Ca 0.40 0.11 -0.05 0.00 1.01 0.00 0.00 58.87 60.34 1b8t n SER 141 Cb 0.22 0.16 0.05 0.00 -1.01 0.00 0.00 64.21 63.63 1b8t n SER 141 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b8t n PHE 143 N -4.51 0.31 -4.39 0.00 -0.00 -1.14 -4.59 117.46 103.14 1b8t n PHE 143 Ca 0.06 0.21 -0.24 0.00 -0.00 0.00 0.00 57.45 57.48 1b8t n PHE 143 Cb 0.07 -1.23 -0.09 0.00 -0.00 0.00 0.00 39.48 38.23 1b8t n PHE 143 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.76 175.78 1b8t s ARG 144 N 4.57 1.92 -0.01 -4.13 1.70 -1.26 0.01 118.95 121.75 1b8t s ARG 144 Ca 0.70 -1.60 -0.30 0.00 -0.47 0.00 0.00 55.73 54.06 1b8t s ARG 144 Cb -0.66 -1.94 -0.04 0.00 -0.57 0.00 0.00 34.95 31.75 1b8t s ARG 144 CO 0.26 0.35 1.11 0.00 -1.08 0.00 0.00 175.30 175.94 1b8t n ALA 146 N 4.44 4.38 0.00 0.00 0.00 -0.53 -0.15 120.51 128.65 1b8t n ALA 146 Ca 0.09 -1.47 0.00 0.00 0.00 0.00 0.00 53.44 52.06 1b8t n ALA 146 Cb 0.48 -1.27 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 1.17 0.00 0.00 0.00 177.50 178.67 1b8t n LYS 147 N -0.05 0.00 -0.00 0.00 3.00 -1.26 -4.86 118.16 114.98 1b8t n LYS 147 Ca 0.29 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.65 1b8t n LYS 147 Cb 0.89 -0.32 -0.07 0.00 0.00 0.00 0.00 35.03 35.53 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 2.30 3.66 0.00 0.00 0.79 -4.97 105.19 108.67 1b8t n GLY 149 Ca -0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.55 1b8t n GLY 149 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b8t n LYS 150 N -2.00 2.02 -2.41 1.61 4.76 -1.25 -4.35 118.16 116.53 1b8t n LYS 150 Ca 0.00 0.72 -0.42 0.00 -2.87 0.00 0.00 58.31 55.74 1b8t n LYS 150 Cb 0.00 -2.45 -0.03 0.00 -1.84 0.00 0.00 35.03 30.72 1b8t n LYS 150 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1b8t s SER 151 N 0.68 7.01 0.45 4.39 1.04 -1.26 -0.31 113.70 125.70 1b8t s SER 151 Ca 0.76 1.87 0.01 0.00 0.48 0.00 0.00 55.95 59.08 1b8t s SER 151 Cb -0.70 -2.56 0.06 0.00 0.10 0.00 0.00 66.02 62.92 1b8t s SER 151 CO 0.42 -0.62 0.40 0.18 0.98 0.00 0.00 173.24 174.60 1b8t n LEU 152 N 5.27 0.00 -2.73 2.42 4.77 0.10 -4.93 117.00 121.90 1b8t n LEU 152 Ca 0.11 -0.94 -0.08 0.00 -0.03 0.00 0.00 56.01 55.08 1b8t n LEU 152 Cb 0.46 -0.25 0.08 0.00 -2.33 0.00 0.00 43.42 41.37 1b8t n LEU 152 CO 0.56 -0.67 0.34 1.21 -1.33 0.00 0.00 177.39 177.49 1b8t n GLU 153 N -1.71 0.78 -1.56 3.23 4.07 -1.26 -4.60 120.64 119.59 1b8t n GLU 153 Ca 0.07 -1.65 0.00 0.00 -0.06 0.00 0.00 57.16 55.51 1b8t n GLU 153 Cb 0.25 -1.07 0.00 0.00 -0.06 0.00 0.00 31.44 30.56 1b8t n GLU 153 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1b8t n SER 154 N 0.97 -8.43 -1.26 4.31 2.88 -1.26 -4.97 113.62 105.86 1b8t n SER 154 Ca 0.06 1.85 0.16 0.00 -1.33 0.00 0.00 58.87 59.60 1b8t n SER 154 Cb 0.68 -5.04 -0.07 0.00 -0.75 0.00 0.00 64.21 59.03 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 -2.54 -0.42 -1.82 2.46 -1.04 -1.26 -4.71 114.28 104.96 1b8t n THR 155 Ca 0.00 0.63 -0.08 0.00 -2.04 0.00 0.00 64.05 62.57 1b8t n THR 155 Cb 0.46 -1.06 -0.02 0.00 -1.82 0.00 0.00 70.33 67.89 1b8t n THR 155 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1b8t n THR 156 N -4.07 -0.18 -4.12 12.58 5.66 -1.26 -4.88 114.28 118.01 1b8t n THR 156 Ca -0.06 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.59 1b8t n THR 156 Cb 0.59 -0.90 -0.12 0.00 -1.55 0.00 0.00 70.33 68.35 1b8t n THR 156 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1b8t s LEU 157 N -4.15 3.26 0.12 1.09 2.96 -1.26 -1.19 118.68 119.50 1b8t s LEU 157 Ca 0.00 -0.19 -0.15 0.00 -0.22 0.00 0.00 54.13 53.58 1b8t s LEU 157 Cb 0.00 -1.82 -0.07 0.00 0.50 0.00 0.00 46.19 44.80 1b8t s LEU 157 CO 0.00 0.08 0.53 0.00 -1.32 0.00 0.00 176.35 175.64 1b8t s ALA 158 N 0.88 3.60 -0.32 5.97 0.00 0.87 -4.84 121.76 127.93 1b8t s ALA 158 Ca 0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 51.96 51.83 1b8t s ALA 158 Cb -0.14 -2.51 0.10 0.00 0.00 0.00 0.00 23.12 20.57 1b8t s ALA 158 CO 0.02 0.46 0.11 0.16 0.00 0.00 0.00 175.76 176.50 1b8t s ASP 159 N -1.57 4.02 -0.83 0.00 1.47 -1.26 -0.23 116.67 118.27 1b8t s ASP 159 Ca 0.35 -1.73 -0.21 0.00 1.18 0.00 0.00 52.55 52.14 1b8t s ASP 159 Cb -0.16 -0.90 0.10 0.00 -0.34 0.00 0.00 42.92 41.62 1b8t s ASP 159 CO 0.18 -0.40 1.10 -0.75 0.68 0.00 0.00 175.17 175.98 1b8t s LYS 160 N 1.50 3.40 0.45 2.11 2.20 0.15 -4.79 119.74 124.76 1b8t s LYS 160 Ca 0.10 -1.31 0.00 0.00 -0.36 0.00 0.00 55.97 54.40 1b8t s LYS 160 Cb -0.18 -4.68 0.00 0.00 -1.51 0.00 0.00 37.83 31.46 1b8t s LYS 160 CO -0.23 -1.84 0.00 -0.25 -0.36 0.00 0.00 175.35 172.67 1b8t n ASP 161 N 7.28 0.00 -0.01 1.43 9.92 -1.26 -0.16 116.55 133.75 1b8t n ASP 161 Ca 0.14 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.39 1b8t n ASP 161 Cb 0.48 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.94 1b8t n ASP 161 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1b8t n GLY 162 N 0.00 -0.10 3.79 0.44 0.00 -1.26 -4.45 105.19 103.61 1b8t n GLY 162 Ca 0.00 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.06 3.04 -0.02 1.61 8.01 0.78 -4.91 118.70 125.15 1b8t s GLU 163 Ca -0.01 1.24 0.04 0.00 0.01 0.00 0.00 54.97 56.24 1b8t s GLU 163 Cb 0.01 -1.99 -0.01 0.00 -4.31 0.00 0.00 34.13 27.83 1b8t s GLU 163 CO 0.09 -1.04 -0.14 0.96 0.01 0.00 0.00 175.26 175.14 1b8t s ILE 164 N -2.51 1.15 0.18 -1.63 -4.36 -1.26 0.31 121.20 113.08 1b8t s ILE 164 Ca 0.64 -0.60 0.01 0.00 -0.26 0.00 0.00 60.65 60.44 1b8t s ILE 164 Cb -0.17 -0.97 -0.00 0.00 1.25 0.00 0.00 42.46 42.56 1b8t s ILE 164 CO 0.42 0.33 0.22 -1.22 0.24 0.00 0.00 174.94 174.92 1b8t n TYR 165 N 2.88 -0.76 -3.72 1.37 4.01 0.68 -1.46 117.16 120.17 1b8t n TYR 165 Ca -0.16 -1.35 -0.35 0.00 -0.16 0.00 0.00 57.90 55.88 1b8t n TYR 165 Cb 0.54 0.24 -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 4.09 0.44 -0.07 0.00 3.64 -1.48 1.52 116.57 124.72 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 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1b8t h LYS 167 CO 0.65 0.29 0.05 0.78 -2.27 0.00 0.00 179.45 178.95 1b8t h GLY 168 N 0.45 0.00 0.27 5.01 0.00 -1.93 0.41 103.07 107.28 1b8t h GLY 168 Ca 0.67 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.90 1b8t h GLY 168 CO -0.47 0.00 -0.47 0.00 0.00 0.00 0.00 176.54 175.60 1b8t h TYR 170 N -0.74 0.45 0.00 0.00 3.20 -0.35 0.43 116.97 119.96 1b8t h TYR 170 Ca -0.10 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.78 1b8t h TYR 170 Cb 1.29 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.41 1b8t h TYR 170 CO 0.23 0.26 -0.02 0.00 -1.64 0.00 0.00 178.16 176.99 1b8t h ALA 171 N 1.74 0.00 -0.17 1.82 0.00 -0.28 -3.20 119.26 119.18 1b8t h ALA 171 Ca 0.19 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1b8t h ALA 171 Cb 0.17 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1b8t h ALA 171 CO -0.05 0.02 -0.35 0.87 0.00 0.00 0.00 179.25 179.75 1b8t h LYS 172 N -0.60 -0.30 -1.19 0.00 1.57 -1.05 0.50 116.57 115.50 1b8t h LYS 172 Ca 0.00 0.02 0.43 0.00 -1.87 0.00 0.00 60.65 59.23 1b8t h LYS 172 Cb 0.02 0.07 -0.14 0.00 0.08 0.00 0.00 32.23 32.25 1b8t h LYS 172 CO 0.00 -0.20 0.74 -1.71 -0.57 0.00 0.00 179.45 177.71 1b8t n ASN 173 N -4.37 0.24 -2.91 0.86 2.85 0.15 0.43 115.26 112.51 1b8t n ASN 173 Ca -0.03 1.38 -0.27 0.00 -0.11 0.00 0.00 54.58 55.55 1b8t n ASN 173 Cb 0.23 -0.68 -0.04 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 -4.75 3.98 0.00 1.20 3.72 0.15 -4.86 117.46 116.90 1b8t n PHE 174 Ca 0.37 -3.94 0.00 0.00 -0.05 0.00 0.00 57.45 53.84 1b8t n PHE 174 Cb 1.40 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 39.48 1b8t n PHE 174 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b8t n GLY 175 N -0.26 0.32 3.76 1.37 0.00 0.17 -4.79 105.19 105.76 1b8t n GLY 175 Ca 0.31 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.55 0.39 1.61 0.04 -1.26 -4.91 135.00 130.32 1b8t s PRO 176 Ca 0.00 -0.35 0.00 0.00 0.04 0.00 0.00 61.00 60.69 1b8t s PRO 176 Cb 0.00 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.84 1b8t s PRO 176 CO 0.00 -3.22 0.00 1.63 0.04 0.00 0.00 177.00 175.45 1b8t n LYS 177 N -4.35 -3.37 -2.18 4.56 4.76 -1.26 -5.04 118.16 111.28 1b8t n LYS 177 Ca 0.16 2.51 -0.00 0.00 -2.87 0.00 0.00 58.31 58.11 1b8t n LYS 177 Cb 0.59 -2.83 0.00 0.00 -1.84 0.00 0.00 35.03 30.96 1b8t n LYS 177 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1b8t n GLY 178 N -0.91 0.91 3.61 0.72 0.00 -1.26 -5.11 105.19 103.15 1b8t n GLY 178 Ca 0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 46.02 45.05 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 -4.21 -0.10 -0.18 1.61 5.36 -1.26 -5.18 117.98 114.01 1b8t s PHE 179 Ca 0.07 0.01 -0.29 0.00 -0.96 0.00 0.00 56.93 55.76 1b8t s PHE 179 Cb -0.01 0.53 0.12 0.00 -0.34 0.00 0.00 43.02 43.33 1b8t s PHE 179 CO 0.01 -0.27 0.96 0.20 -1.46 0.00 0.00 175.22 174.66 1b8t s GLY 180 N -2.57 -0.28 0.16 13.12 0.00 -1.26 -5.18 107.32 111.32 1b8t s GLY 180 Ca 0.11 2.12 -0.07 0.00 0.00 0.00 0.00 44.72 46.89 1b8t s GLY 180 CO -0.04 1.26 0.23 -0.11 0.00 0.00 0.00 173.10 174.44 1b8t s PHE 181 N -0.71 0.58 0.40 1.90 -0.71 -1.26 -5.18 117.98 112.99 1b8t s PHE 181 Ca -0.01 -0.93 0.04 0.00 -1.04 0.00 0.00 56.93 54.98 1b8t s PHE 181 Cb -0.02 -0.19 -0.03 0.00 -1.21 0.00 0.00 43.02 41.58 1b8t s PHE 181 CO 0.00 -0.68 0.14 0.20 -1.34 0.00 0.00 175.22 173.54 1b8t s GLY 182 N -3.01 2.55 0.30 1.99 0.00 -1.26 -5.15 107.32 102.74 1b8t s GLY 182 Ca 0.21 -1.34 -0.13 0.00 0.00 0.00 0.00 44.72 43.46 1b8t s GLY 182 CO 0.02 -1.79 0.67 1.62 0.00 0.00 0.00 173.10 173.62 1b8t s GLN 183 N -3.70 3.92 0.13 2.90 0.74 -1.26 -5.09 119.66 117.30 1b8t s GLN 183 Ca 0.26 0.52 -0.01 0.00 0.05 0.00 0.00 55.36 56.18 1b8t s GLN 183 Cb 0.03 -2.50 -0.04 0.00 1.10 0.00 0.00 33.01 31.60 1b8t s GLN 183 CO 0.16 0.20 0.04 0.20 -0.55 0.00 0.00 175.29 175.33 1b8t s GLY 184 N -2.36 0.97 0.24 2.59 0.00 -1.26 -5.17 107.32 102.33 1b8t s GLY 184 Ca 0.52 -1.46 -0.21 0.00 0.00 0.00 0.00 44.72 43.56 1b8t s GLY 184 CO 0.19 -1.38 0.91 0.00 0.00 0.00 0.00 173.10 172.82 1b8t s ALA 185 N -3.97 -1.34 0.00 3.20 0.00 -1.26 -5.19 121.76 113.20 1b8t s ALA 185 Ca 0.22 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.87 1b8t s ALA 185 Cb 0.07 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.91 1b8t s ALA 185 CO 0.01 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.14 1b8t n GLY 186 N -0.56 4.11 3.54 0.00 0.00 -1.26 -5.17 105.19 105.85 1b8t n GLY 186 Ca -0.05 -2.17 -0.08 0.00 0.00 0.00 0.00 46.02 43.71 1b8t n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b8t s ALA 187 N -2.00 -1.89 0.15 4.61 0.00 -1.26 -5.10 121.76 116.27 1b8t s ALA 187 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1b8t s ALA 187 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1b8t s ALA 187 CO 0.00 -0.59 0.00 -0.11 0.00 0.00 0.00 175.76 175.06 1b8t n LEU 188 N -0.00 0.06 -1.90 0.00 7.94 -1.26 -5.15 117.00 116.69 1b8t n LEU 188 Ca -0.07 0.24 0.00 0.00 -1.11 0.00 0.00 56.01 55.07 1b8t n LEU 188 Cb 0.60 0.15 0.00 0.00 0.53 0.00 0.00 43.42 44.70 1b8t n LEU 188 CO 0.11 -0.67 -0.43 0.00 -1.11 0.00 0.00 177.39 175.30 1b8t n ILE 189 N -3.07-11.98 -4.34 1.96 0.00 -1.26 -5.05 119.36 95.61 1b8t n ILE 189 Ca 0.00 3.07 -0.18 0.00 0.00 0.00 0.00 62.75 65.64 1b8t n ILE 189 Cb 0.00 -5.07 -0.10 0.00 0.00 0.00 0.00 39.64 34.47 1b8t n ILE 189 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 1b8t s HIS 190 N -0.58 1.66 0.25 9.51 2.46 -1.26 -5.16 115.29 122.16 1b8t s HIS 190 Ca 0.00 -0.64 -0.15 0.00 0.47 0.00 0.00 55.06 54.74 1b8t s HIS 190 Cb 0.00 -0.82 0.00 0.00 -0.13 0.00 0.00 32.58 31.64 1b8t s HIS 190 CO 0.00 0.28 0.52 0.45 -2.47 0.00 0.00 174.74 173.52 1b8t s SER 191 N -3.31 -0.13 0.00 9.88 0.15 -1.26 -5.36 113.70 113.67 1b8t s SER 191 Ca 0.23 -0.83 0.23 0.00 0.70 0.00 0.00 55.95 56.28 1b8t s SER 191 Cb 0.01 0.61 1.39 0.00 -1.71 0.00 0.00 66.02 66.32 1b8t s SER 191 CO 0.07 -1.17 1.76 0.00 1.20 0.00 0.00 173.24 175.10