#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a0c n ASN 2 N 0.00 2.16 -3.86 4.52 6.94 -1.25 -1.73 115.26 122.04 3a0c n ASN 2 Ca 0.00 -3.61 -0.11 0.00 -0.02 0.00 0.00 54.58 50.84 3a0c n ASN 2 Cb 0.00 -0.47 -0.09 0.00 -2.36 0.00 0.00 39.78 36.86 3a0c n ASN 2 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3a0c s SER 3 N -3.17 0.02 -0.13 0.53 1.04 -1.26 -1.58 113.70 109.14 3a0c s SER 3 Ca 0.39 -0.25 -0.03 0.00 0.48 0.00 0.00 55.95 56.55 3a0c s SER 3 Cb 0.38 0.24 0.05 0.00 0.10 0.00 0.00 66.02 66.79 3a0c s SER 3 CO -0.06 -0.44 0.05 -0.22 0.98 0.00 0.00 173.24 173.54 3a0c s LEU 4 N -1.64 0.62 0.04 2.42 2.96 -0.09 -4.97 118.68 118.03 3a0c s LEU 4 Ca -0.11 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.39 3a0c s LEU 4 Cb -0.05 -0.38 -0.04 0.00 0.50 0.00 0.00 46.19 46.22 3a0c s LEU 4 CO -0.00 -0.28 0.06 -0.94 -1.32 0.00 0.00 176.35 173.87 3a0c s SER 5 N 2.02 5.45 0.20 3.68 1.04 -1.26 0.01 113.70 124.83 3a0c s SER 5 Ca 0.02 0.02 -0.32 0.00 0.48 0.00 0.00 55.95 56.15 3a0c s SER 5 Cb -0.15 -1.47 -0.15 0.00 0.10 0.00 0.00 66.02 64.35 3a0c s SER 5 CO -0.07 0.22 1.20 -1.20 0.98 0.00 0.00 173.24 174.37 3a0c n SER 6 N 0.83 1.63 -2.14 7.02 7.64 0.41 -0.52 113.62 128.50 3a0c n SER 6 Ca -0.11 1.15 -0.29 0.00 1.01 0.00 0.00 58.87 60.63 3a0c n SER 6 Cb 0.52 -1.27 0.07 0.00 -1.01 0.00 0.00 64.21 62.52 3a0c n SER 6 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3a0c n PRO 7 N 1.71 2.98 -0.77 1.43 -0.04 -1.26 -4.79 135.00 134.27 3a0c n PRO 7 Ca 0.14 -3.62 -0.28 0.00 -0.04 0.00 0.00 63.50 59.70 3a0c n PRO 7 Cb 0.27 -2.25 0.22 0.00 -0.04 0.00 0.00 33.50 31.70 3a0c n PRO 7 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3a0c s ASN 8 N -2.54 1.56 0.04 3.54 -0.87 0.33 -4.64 114.94 112.36 3a0c s ASN 8 Ca 0.58 1.40 -0.01 0.00 -1.57 0.00 0.00 52.86 53.27 3a0c s ASN 8 Cb 0.46 -2.14 -0.03 0.00 -0.02 0.00 0.00 41.25 39.52 3a0c s ASN 8 CO 0.01 -3.83 -0.03 -0.55 -2.57 0.00 0.00 177.10 170.14 3a0c s SER 9 N -2.86 0.40 -0.52 -1.22 0.15 -1.26 -2.48 113.70 105.91 3a0c s SER 9 Ca 0.67 -0.81 -0.06 0.00 0.70 0.00 0.00 55.95 56.45 3a0c s SER 9 Cb -0.23 0.16 0.14 0.00 -1.71 0.00 0.00 66.02 64.38 3a0c s SER 9 CO 0.62 -0.49 0.36 -0.76 1.20 0.00 0.00 173.24 174.17 3a0c s LEU 10 N -2.36 5.52 1.13 3.45 1.43 0.22 -4.92 118.68 123.14 3a0c s LEU 10 Ca -0.02 -2.26 -0.17 0.00 -1.03 0.00 0.00 54.13 50.65 3a0c s LEU 10 Cb 0.01 -1.93 0.25 0.00 0.03 0.00 0.00 46.19 44.56 3a0c s LEU 10 CO -0.07 -0.55 1.11 -0.36 0.23 0.00 0.00 176.35 176.72 3a0c s PHE 11 N 0.82 1.02 0.16 0.29 0.40 -1.26 -1.25 117.98 118.16 3a0c s PHE 11 Ca 0.10 0.62 -0.34 0.00 -0.60 0.00 0.00 56.93 56.72 3a0c s PHE 11 Cb -0.22 -3.43 -0.15 0.00 0.51 0.00 0.00 43.02 39.73 3a0c s PHE 11 CO -0.03 -3.54 1.37 2.41 0.70 0.00 0.00 175.22 176.13 3a0c n THR 12 N -4.54 0.42 0.00 0.64 -1.04 -0.84 -1.02 114.28 107.89 3a0c n THR 12 Ca 0.11 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3a0c n THR 12 Cb 0.59 -1.13 0.00 0.00 -1.82 0.00 0.00 70.33 67.97 3a0c n THR 12 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3a0c n GLY 13 N 2.53 3.15 3.83 3.41 0.00 0.24 -4.97 105.19 113.38 3a0c n GLY 13 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3a0c n GLY 13 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3a0c s HIS 14 N -1.64 3.23 0.20 1.61 4.02 -0.19 -4.76 115.29 117.76 3a0c s HIS 14 Ca 0.00 1.46 -0.20 0.00 1.02 0.00 0.00 55.06 57.34 3a0c s HIS 14 Cb 0.00 -2.89 0.04 0.00 -1.02 0.00 0.00 32.58 28.71 3a0c s HIS 14 CO 0.00 -0.83 0.58 -1.54 1.02 0.00 0.00 174.74 173.96 3a0c s SER 15 N -3.17 -0.34 0.11 1.40 1.04 -1.26 -1.00 113.70 110.47 3a0c s SER 15 Ca 0.60 -0.37 0.06 0.00 0.48 0.00 0.00 55.95 56.72 3a0c s SER 15 Cb -0.13 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 3a0c s SER 15 CO 0.39 -1.08 -0.02 -0.76 0.98 0.00 0.00 173.24 172.76 3a0c s LEU 16 N -2.85 3.36 -0.05 2.42 1.43 0.10 -4.92 118.68 118.17 3a0c s LEU 16 Ca 0.07 -0.26 -0.07 0.00 -1.03 0.00 0.00 54.13 52.84 3a0c s LEU 16 Cb -0.02 -2.08 0.01 0.00 0.03 0.00 0.00 46.19 44.13 3a0c s LEU 16 CO -0.04 0.16 0.18 -1.61 0.23 0.00 0.00 176.35 175.26 3a0c s GLU 17 N -2.42 0.29 0.04 1.70 2.02 -0.71 -0.76 118.70 118.87 3a0c s GLU 17 Ca 0.25 0.10 -0.15 0.00 0.02 0.00 0.00 54.97 55.19 3a0c s GLU 17 Cb -0.11 0.13 0.02 0.00 0.10 0.00 0.00 34.13 34.27 3a0c s GLU 17 CO 0.17 -0.05 0.33 0.54 0.02 0.00 0.00 175.26 176.27 3a0c s VAL 18 N -0.27 0.07 0.73 2.63 0.11 -0.72 -3.96 120.40 118.99 3a0c s VAL 18 Ca -0.04 -0.62 -0.11 0.00 -2.93 0.00 0.00 61.98 58.29 3a0c s VAL 18 Cb -0.03 -0.93 0.03 0.00 -1.53 0.00 0.00 36.38 33.92 3a0c s VAL 18 CO 0.01 -0.34 1.07 -0.83 -3.33 0.00 0.00 175.10 171.68 3a0c s GLY 19 N -2.02 1.67 0.13 6.54 0.00 -1.26 -1.44 107.32 110.93 3a0c s GLY 19 Ca -0.05 0.11 -0.12 0.00 0.00 0.00 0.00 44.72 44.66 3a0c s GLY 19 CO -0.03 0.44 1.44 -0.56 0.00 0.00 0.00 173.10 174.39 3a0c h PRO 20 N -0.87 0.88 -0.21 2.90 0.13 -1.95 -3.39 132.00 129.50 3a0c h PRO 20 Ca -0.44 -0.51 -0.25 0.00 -0.87 0.00 0.00 66.00 63.93 3a0c h PRO 20 Cb 1.22 0.04 -0.20 0.00 0.13 0.00 0.00 31.00 32.19 3a0c h PRO 20 CO 0.55 1.15 -0.53 -1.13 -0.23 0.00 0.00 178.00 177.82 3a0c n SER 21 N -4.07 -1.20 -4.64 1.44 3.41 -1.25 -5.06 113.62 102.25 3a0c n SER 21 Ca -0.03 -2.51 -0.35 0.00 -0.26 0.00 0.00 58.87 55.72 3a0c n SER 21 Cb 0.57 0.69 -0.10 0.00 -0.26 0.00 0.00 64.21 65.11 3a0c n SER 21 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3a0c s TYR 22 N -0.50 3.13 -0.09 7.33 4.12 -0.52 -1.25 117.35 129.57 3a0c s TYR 22 Ca 0.23 0.09 -0.04 0.00 0.02 0.00 0.00 57.07 57.38 3a0c s TYR 22 Cb 0.41 -1.83 0.05 0.00 -1.52 0.00 0.00 41.96 39.07 3a0c s TYR 22 CO -0.06 0.35 0.17 1.03 0.02 0.00 0.00 175.55 177.06 3a0c s ARG 23 N -0.58 0.05 -0.38 -0.62 0.52 -0.78 -1.76 118.95 115.40 3a0c s ARG 23 Ca 0.10 0.58 -0.11 0.00 -0.52 0.00 0.00 55.73 55.78 3a0c s ARG 23 Cb -0.12 -0.23 0.04 0.00 0.52 0.00 0.00 34.95 35.16 3a0c s ARG 23 CO 0.02 -0.30 0.22 -1.17 0.02 0.00 0.00 175.30 174.09 3a0c s LEU 24 N 2.24 4.81 0.01 2.53 2.96 0.06 -0.31 118.68 130.98 3a0c s LEU 24 Ca 0.02 -1.10 0.07 0.00 -0.22 0.00 0.00 54.13 52.90 3a0c s LEU 24 Cb -0.12 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 3a0c s LEU 24 CO -0.06 -0.42 -0.21 -0.51 -1.32 0.00 0.00 176.35 173.83 3a0c s ILE 25 N 1.53 2.52 -0.78 6.68 2.07 -0.72 -0.72 121.20 131.78 3a0c s ILE 25 Ca 0.02 -1.11 -0.15 0.00 -1.41 0.00 0.00 60.65 57.99 3a0c s ILE 25 Cb -0.20 -1.98 0.18 0.00 0.13 0.00 0.00 42.46 40.59 3a0c s ILE 25 CO 0.06 0.46 0.78 -0.32 -1.91 0.00 0.00 174.94 174.01 3a0c s MET 26 N -1.03 3.46 0.92 3.50 -2.45 -0.17 -2.36 119.30 121.17 3a0c s MET 26 Ca 0.12 -2.14 -0.12 0.00 -1.25 0.00 0.00 55.69 52.30 3a0c s MET 26 Cb -0.10 -4.47 0.14 0.00 1.25 0.00 0.00 34.83 31.65 3a0c s MET 26 CO 0.02 -1.39 1.09 -0.65 1.05 0.00 0.00 175.02 175.14 3a0c s GLN 27 N 0.99 1.04 0.34 4.11 -0.21 -1.06 0.80 119.66 125.67 3a0c s GLN 27 Ca 0.17 0.81 0.27 0.00 0.02 0.00 0.00 55.36 56.63 3a0c s GLN 27 Cb -0.14 -1.78 1.03 0.00 1.00 0.00 0.00 33.01 33.12 3a0c s GLN 27 CO -0.06 -2.39 1.79 0.78 -2.12 0.00 0.00 175.29 173.29 3a0c h GLY 28 N -1.66 0.00 -1.46 3.09 0.00 -1.93 -2.68 103.07 98.43 3a0c h GLY 28 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3a0c h GLY 28 CO 0.54 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.17 3a0c n ASP 29 N -2.51 2.26 0.00 0.19 5.75 -1.26 -4.42 116.55 116.56 3a0c n ASP 29 Ca 0.02 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 3a0c n ASP 29 Cb 0.29 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 3a0c n ASP 29 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a0c s ASN 31 N -2.18 6.65 -0.49 0.00 2.47 -1.26 -4.37 114.94 115.75 3a0c s ASN 31 Ca 0.00 0.79 -0.18 0.00 0.42 0.00 0.00 52.86 53.89 3a0c s ASN 31 Cb 0.00 -2.35 0.06 0.00 -1.45 0.00 0.00 41.25 37.51 3a0c s ASN 31 CO 0.00 -0.32 0.56 0.12 -3.72 0.00 0.00 177.10 173.74 3a0c s PHE 32 N 2.19 3.10 0.07 0.43 5.36 -1.26 -2.56 117.98 125.30 3a0c s PHE 32 Ca 0.28 -0.59 0.06 0.00 -0.96 0.00 0.00 56.93 55.72 3a0c s PHE 32 Cb -0.16 -3.39 -0.03 0.00 -0.34 0.00 0.00 43.02 39.10 3a0c s PHE 32 CO 0.09 -0.95 -0.17 0.54 -1.46 0.00 0.00 175.22 173.27 3a0c s VAL 33 N 2.38 1.39 -0.26 3.12 0.11 -0.99 0.10 120.40 126.25 3a0c s VAL 33 Ca 0.13 -1.28 -0.11 0.00 -2.93 0.00 0.00 61.98 57.79 3a0c s VAL 33 Cb -0.20 -1.27 -0.05 0.00 -1.53 0.00 0.00 36.38 33.33 3a0c s VAL 33 CO 0.11 -0.04 0.18 -0.22 -3.33 0.00 0.00 175.10 171.81 3a0c s LEU 34 N -1.53 4.07 -0.07 2.54 2.96 0.20 -1.75 118.68 125.10 3a0c s LEU 34 Ca 0.03 0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 53.98 3a0c s LEU 34 Cb -0.09 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 3a0c s LEU 34 CO 0.02 0.01 0.03 -0.31 -1.32 0.00 0.00 176.35 174.78 3a0c s TYR 35 N 1.41 3.22 -0.33 5.38 2.02 0.58 -1.25 117.35 128.38 3a0c s TYR 35 Ca 0.08 0.22 0.02 0.00 -0.37 0.00 0.00 57.07 57.02 3a0c s TYR 35 Cb -0.15 -1.78 0.10 0.00 -0.40 0.00 0.00 41.96 39.73 3a0c s TYR 35 CO 0.08 0.51 0.07 0.34 -1.57 0.00 0.00 175.55 174.98 3a0c s ASP 36 N -1.10 4.43 -1.47 2.29 -1.08 0.10 -1.87 116.67 117.98 3a0c s ASP 36 Ca 0.16 -1.92 -0.05 0.00 -0.52 0.00 0.00 52.55 50.22 3a0c s ASP 36 Cb -0.12 -1.28 0.02 0.00 -1.46 0.00 0.00 42.92 40.08 3a0c s ASP 36 CO 0.05 -0.40 0.46 -1.20 0.52 0.00 0.00 175.17 174.61 3a0c n SER 37 N 4.52 -5.30 0.00 -0.34 7.64 -0.38 -1.30 113.62 118.47 3a0c n SER 37 Ca 0.01 -0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.65 3a0c n SER 37 Cb 0.42 -4.33 0.00 0.00 -1.01 0.00 0.00 64.21 59.29 3a0c n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3a0c n GLY 38 N -1.32 0.64 3.57 0.23 0.00 -1.26 -5.05 105.19 101.99 3a0c n GLY 38 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 3a0c n GLY 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3a0c s LYS 39 N -0.78 3.88 -0.29 1.61 2.20 -0.42 -5.05 119.74 120.89 3a0c s LYS 39 Ca 0.00 -0.37 -0.29 0.00 -0.36 0.00 0.00 55.97 54.95 3a0c s LYS 39 Cb 0.00 -3.41 -0.01 0.00 -1.51 0.00 0.00 37.83 32.90 3a0c s LYS 39 CO 0.00 -0.02 1.42 -1.25 -0.36 0.00 0.00 175.35 175.13 3a0c s PRO 40 N 1.23 3.83 -0.01 4.03 0.04 -1.26 0.01 135.00 142.87 3a0c s PRO 40 Ca 0.06 1.34 0.20 0.00 0.04 0.00 0.00 61.00 62.64 3a0c s PRO 40 Cb -0.14 -3.95 -0.25 0.00 0.04 0.00 0.00 34.50 30.20 3a0c s PRO 40 CO 0.05 -1.23 0.70 1.33 0.04 0.00 0.00 177.00 177.88 3a0c n VAL 41 N 6.38 0.00 -3.52 -0.36 0.24 -0.38 -4.96 118.33 115.72 3a0c n VAL 41 Ca 0.16 -0.20 -0.18 0.00 -2.04 0.00 0.00 64.34 62.09 3a0c n VAL 41 Cb 0.46 0.63 -0.06 0.00 -1.47 0.00 0.00 33.84 33.41 3a0c n VAL 41 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 3a0c s TRP 42 N -3.08 -0.65 -0.02 6.34 -0.00 -1.18 -4.99 118.94 115.36 3a0c s TRP 42 Ca 0.02 1.08 -0.29 0.00 -0.00 0.00 0.00 56.10 56.91 3a0c s TRP 42 Cb 0.14 0.42 0.09 0.00 -0.00 0.00 0.00 33.47 34.12 3a0c s TRP 42 CO 0.83 -0.62 0.77 0.00 -0.00 0.00 0.00 176.95 177.93 3a0c s ALA 43 N -1.32 -1.78 -1.04 5.86 0.00 -1.26 0.62 121.76 122.84 3a0c s ALA 43 Ca -0.10 1.13 0.28 0.00 0.00 0.00 0.00 51.96 53.27 3a0c s ALA 43 Cb -0.00 0.12 1.21 0.00 0.00 0.00 0.00 23.12 24.45 3a0c s ALA 43 CO 0.09 -0.51 1.90 -1.13 0.00 0.00 0.00 175.76 176.11 3a0c n SER 44 N 0.36 0.00 -2.32 0.00 3.41 0.11 -4.92 113.62 110.27 3a0c n SER 44 Ca -0.15 0.44 -0.21 0.00 -0.26 0.00 0.00 58.87 58.70 3a0c n SER 44 Cb 0.60 -0.48 -0.01 0.00 -0.26 0.00 0.00 64.21 64.05 3a0c n SER 44 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3a0c n ASN 45 N -1.48 -5.86 -1.42 4.04 3.02 -1.26 -4.87 115.26 107.43 3a0c n ASN 45 Ca 0.07 0.01 0.08 0.00 -0.03 0.00 0.00 54.58 54.71 3a0c n ASN 45 Cb 0.32 -4.88 0.34 0.00 -0.61 0.00 0.00 39.78 34.94 3a0c n ASN 45 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3a0c n THR 46 N -3.93 2.42 -1.68 3.41 -2.24 -1.26 -5.00 114.28 106.00 3a0c n THR 46 Ca -0.24 -1.56 -0.44 0.00 -2.27 0.00 0.00 64.05 59.54 3a0c n THR 46 Cb 0.69 -0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 68.69 3a0c n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a0c n GLY 47 N 0.23 1.57 1.67 3.38 0.00 -1.26 -1.52 105.19 109.25 3a0c n GLY 47 Ca 0.24 0.75 0.00 0.00 0.00 0.00 0.00 46.02 47.01 3a0c n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a0c n GLY 48 N 4.18 0.78 0.01 -0.02 0.00 0.40 -4.93 105.19 105.61 3a0c n GLY 48 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 3a0c n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a0c n LEU 49 N 0.00 0.31 -3.83 0.99 4.77 -0.58 -4.98 117.00 113.69 3a0c n LEU 49 Ca 0.00 0.19 -0.05 0.00 -0.03 0.00 0.00 56.01 56.12 3a0c n LEU 49 Cb 0.00 -0.34 0.01 0.00 -2.33 0.00 0.00 43.42 40.76 3a0c n LEU 49 CO 0.00 0.08 0.68 -0.83 -1.33 0.00 0.00 177.39 175.98 3a0c s GLY 50 N -2.96 0.10 0.05 -0.72 0.00 -1.26 -5.03 107.32 97.49 3a0c s GLY 50 Ca 0.13 -0.36 0.07 0.00 0.00 0.00 0.00 44.72 44.56 3a0c s GLY 50 CO 0.62 0.84 -0.19 -0.56 0.00 0.00 0.00 173.10 173.81 3a0c s SER 51 N -3.16 2.26 -1.43 1.64 0.01 -1.26 -4.26 113.70 107.51 3a0c s SER 51 Ca 0.17 -0.53 -0.11 0.00 1.31 0.00 0.00 55.95 56.79 3a0c s SER 51 Cb -0.03 -0.17 0.04 0.00 0.21 0.00 0.00 66.02 66.07 3a0c s SER 51 CO 0.07 0.11 1.10 0.61 0.41 0.00 0.00 173.24 175.54 3a0c n GLY 52 N 1.73 -0.53 3.78 3.44 0.00 -1.26 0.53 105.19 112.88 3a0c n GLY 52 Ca -0.18 0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3a0c n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a0c s ARG 54 N -4.45 0.40 -0.32 0.00 1.70 -0.90 -1.99 118.95 113.39 3a0c s ARG 54 Ca 0.64 -0.37 -0.08 0.00 -0.47 0.00 0.00 55.73 55.45 3a0c s ARG 54 Cb -0.18 0.16 0.01 0.00 -0.57 0.00 0.00 34.95 34.37 3a0c s ARG 54 CO 0.47 -0.09 0.12 -1.17 -1.08 0.00 0.00 175.30 173.55 3a0c s LEU 55 N -1.20 4.11 -0.13 -1.89 2.96 -0.38 -2.10 118.68 120.04 3a0c s LEU 55 Ca -0.13 -0.78 -0.02 0.00 -0.22 0.00 0.00 54.13 52.98 3a0c s LEU 55 Cb -0.07 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 3a0c s LEU 55 CO 0.01 -0.24 -0.05 -0.89 -1.32 0.00 0.00 176.35 173.86 3a0c s THR 56 N 1.52 3.81 -0.39 3.68 2.01 0.18 -0.61 115.64 125.84 3a0c s THR 56 Ca 0.02 -0.40 -0.10 0.00 0.31 0.00 0.00 61.69 61.52 3a0c s THR 56 Cb -0.18 -2.63 0.05 0.00 0.01 0.00 0.00 72.50 69.75 3a0c s THR 56 CO 0.04 0.53 0.22 -0.22 -0.69 0.00 0.00 174.62 174.50 3a0c s LEU 57 N -0.04 4.87 0.78 4.42 2.96 -1.04 -0.71 118.68 129.92 3a0c s LEU 57 Ca 0.01 -1.22 -0.11 0.00 -0.22 0.00 0.00 54.13 52.58 3a0c s LEU 57 Cb -0.13 -2.00 0.06 0.00 0.50 0.00 0.00 46.19 44.62 3a0c s LEU 57 CO 0.03 -0.45 1.09 -1.00 -1.32 0.00 0.00 176.35 174.70 3a0c s HIS 58 N 1.49 2.87 -1.49 5.38 3.76 -0.48 -3.98 115.29 122.85 3a0c s HIS 58 Ca 0.02 1.22 0.13 0.00 -0.15 0.00 0.00 55.06 56.27 3a0c s HIS 58 Cb -0.21 -3.07 0.65 0.00 1.11 0.00 0.00 32.58 31.07 3a0c s HIS 58 CO 0.04 -1.68 1.31 0.09 -0.85 0.00 0.00 174.74 173.66 3a0c n ASN 59 N -3.38 0.00 -1.09 1.40 3.02 -1.26 -1.99 115.26 111.96 3a0c n ASN 59 Ca 0.07 0.05 0.11 0.00 -0.03 0.00 0.00 54.58 54.79 3a0c n ASN 59 Cb 0.56 -0.26 0.20 0.00 -0.61 0.00 0.00 39.78 39.67 3a0c n ASN 59 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3a0c n ASN 60 N -1.26 3.36 0.00 6.41 6.94 -1.26 -0.44 115.26 129.01 3a0c n ASN 60 Ca 0.06 -1.96 0.00 0.00 -0.02 0.00 0.00 54.58 52.66 3a0c n ASN 60 Cb 0.10 -0.23 0.00 0.00 -2.36 0.00 0.00 39.78 37.28 3a0c n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3a0c n GLY 61 N 1.39 0.66 3.68 4.83 0.00 -0.84 0.11 105.19 115.01 3a0c n GLY 61 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3a0c n GLY 61 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3a0c s ASN 62 N -2.99 6.79 -0.31 1.61 2.47 -1.23 -4.41 114.94 116.87 3a0c s ASN 62 Ca 0.00 0.96 -0.12 0.00 0.42 0.00 0.00 52.86 54.13 3a0c s ASN 62 Cb 0.00 -2.37 -0.03 0.00 -1.45 0.00 0.00 41.25 37.40 3a0c s ASN 62 CO 0.00 -0.23 0.21 -0.22 -3.72 0.00 0.00 177.10 173.13 3a0c s LEU 63 N 1.59 4.27 0.04 3.21 2.96 -1.26 -1.38 118.68 128.12 3a0c s LEU 63 Ca 0.32 -0.31 0.07 0.00 -0.22 0.00 0.00 54.13 53.98 3a0c s LEU 63 Cb -0.16 -2.10 -0.02 0.00 0.50 0.00 0.00 46.19 44.40 3a0c s LEU 63 CO 0.12 -0.17 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.10 3a0c s VAL 64 N 1.71 1.54 -0.22 1.68 1.01 0.11 -1.31 120.40 124.93 3a0c s VAL 64 Ca 0.06 -1.16 -0.06 0.00 0.00 0.00 0.00 61.98 60.82 3a0c s VAL 64 Cb -0.17 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 3a0c s VAL 64 CO 0.10 0.15 0.03 -0.63 0.00 0.00 0.00 175.10 174.75 3a0c s ILE 65 N -0.82 4.17 -0.01 2.22 1.01 0.14 -0.65 121.20 127.26 3a0c s ILE 65 Ca 0.06 -0.23 0.06 0.00 0.00 0.00 0.00 60.65 60.54 3a0c s ILE 65 Cb -0.09 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.45 3a0c s ILE 65 CO 0.02 0.40 -0.18 -0.31 0.00 0.00 0.00 174.94 174.86 3a0c s TYR 66 N 1.15 2.57 0.00 3.97 2.02 -0.89 -0.71 117.35 125.46 3a0c s TYR 66 Ca 0.03 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.48 3a0c s TYR 66 Cb -0.14 -1.54 0.00 0.00 -0.40 0.00 0.00 41.96 39.87 3a0c s TYR 66 CO 0.02 0.16 0.00 -0.40 -1.57 0.00 0.00 175.55 173.76 3a0c n ASP 67 N 2.07 0.00 0.22 2.29 5.68 -0.82 -2.12 116.55 123.88 3a0c n ASP 67 Ca -0.17 -0.66 0.15 0.00 -0.50 0.00 0.00 54.79 53.61 3a0c n ASP 67 Cb 0.52 0.00 0.51 0.00 -1.14 0.00 0.00 41.12 41.01 3a0c n ASP 67 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 3a0c h GLN 68 N 0.00 0.00 -0.58 0.11 4.15 0.04 -2.79 115.11 116.04 3a0c h GLN 68 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3a0c h GLN 68 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3a0c h GLN 68 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 178.83 177.33 3a0c n SER 69 N -2.86 5.54 -2.02 -0.69 7.64 -1.26 -4.94 113.62 115.03 3a0c n SER 69 Ca 0.02 -2.87 -0.19 0.00 1.01 0.00 0.00 58.87 56.85 3a0c n SER 69 Cb 0.35 -0.67 -0.02 0.00 -1.01 0.00 0.00 64.21 62.87 3a0c n SER 69 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3a0c n ASN 70 N 0.65 -5.36 -4.77 6.43 3.02 -1.05 -5.00 115.26 109.18 3a0c n ASN 70 Ca 0.27 0.05 -0.39 0.00 -0.03 0.00 0.00 54.58 54.48 3a0c n ASN 70 Cb 1.14 -4.43 -0.06 0.00 -0.61 0.00 0.00 39.78 35.83 3a0c n ASN 70 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3a0c s ARG 71 N -4.73 4.37 -0.80 3.52 0.52 -1.26 -4.80 118.95 115.77 3a0c s ARG 71 Ca 0.00 0.89 -0.25 0.00 -0.52 0.00 0.00 55.73 55.84 3a0c s ARG 71 Cb 0.00 -3.30 -0.01 0.00 0.52 0.00 0.00 34.95 32.16 3a0c s ARG 71 CO 0.00 0.46 1.71 0.08 0.02 0.00 0.00 175.30 177.56 3a0c s VAL 72 N -0.58 3.55 0.11 3.52 1.01 -1.26 -1.95 120.40 124.80 3a0c s VAL 72 Ca 0.33 -0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.25 3a0c s VAL 72 Cb -0.20 -4.34 -0.22 0.00 0.00 0.00 0.00 36.38 31.62 3a0c s VAL 72 CO 0.21 -1.28 1.25 0.40 0.00 0.00 0.00 175.10 175.68 3a0c h ILE 73 N 6.82 1.67 -1.89 2.22 1.08 -1.28 -3.48 117.51 122.66 3a0c h ILE 73 Ca -0.07 -3.35 0.00 0.00 -0.39 0.00 0.00 64.86 61.05 3a0c h ILE 73 Cb 1.07 2.87 -0.20 0.00 -3.07 0.00 0.00 36.82 37.48 3a0c h ILE 73 CO 1.26 0.96 0.34 0.86 -0.69 0.00 0.00 178.15 180.89 3a0c s TRP 74 N -2.71 -0.53 -0.13 1.37 -0.00 -1.17 -4.97 118.94 110.81 3a0c s TRP 74 Ca -0.00 0.86 -0.29 0.00 -0.00 0.00 0.00 56.10 56.67 3a0c s TRP 74 Cb 0.09 0.44 0.09 0.00 -0.00 0.00 0.00 33.47 34.09 3a0c s TRP 74 CO 0.83 -0.52 0.80 1.14 -0.00 0.00 0.00 176.95 179.21 3a0c s GLN 75 N -1.37 0.86 0.18 5.86 -2.07 -1.26 0.24 119.66 122.10 3a0c s GLN 75 Ca -0.06 0.36 0.25 0.00 -1.82 0.00 0.00 55.36 54.08 3a0c s GLN 75 Cb -0.00 0.41 0.53 0.00 -1.09 0.00 0.00 33.01 32.86 3a0c s GLN 75 CO 0.05 -0.24 1.52 1.79 -1.32 0.00 0.00 175.29 177.09 3a0c h THR 76 N 3.06 0.00 -3.45 3.63 1.35 -1.58 -3.47 112.91 112.45 3a0c h THR 76 Ca -0.25 -0.53 -0.29 0.00 -0.55 0.00 0.00 66.41 64.79 3a0c h THR 76 Cb 1.15 1.30 -0.02 0.00 -1.73 0.00 0.00 68.15 68.85 3a0c h THR 76 CO 0.30 0.00 -0.37 1.17 -0.25 0.00 0.00 175.52 176.37 3a0c n LYS 77 N -2.25 -2.03 -1.82 4.72 4.81 -1.26 -4.87 118.16 115.47 3a0c n LYS 77 Ca 0.04 0.72 -0.37 0.00 -0.87 0.00 0.00 58.31 57.83 3a0c n LYS 77 Cb 0.44 -5.32 0.02 0.00 0.02 0.00 0.00 35.03 30.20 3a0c n LYS 77 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3a0c n THR 78 N -3.45 3.54 -3.31 3.15 -2.24 -1.26 -4.97 114.28 105.73 3a0c n THR 78 Ca -0.17 -4.01 -0.38 0.00 -2.27 0.00 0.00 64.05 57.22 3a0c n THR 78 Cb 0.62 -1.31 -0.06 0.00 -2.10 0.00 0.00 70.33 67.48 3a0c n THR 78 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3a0c s ASN 79 N -0.81 6.63 0.00 3.42 4.22 -1.26 -3.58 114.94 123.57 3a0c s ASN 79 Ca 0.54 0.75 0.00 0.00 -2.14 0.00 0.00 52.86 52.01 3a0c s ASN 79 Cb 0.43 -2.28 0.00 0.00 1.28 0.00 0.00 41.25 40.68 3a0c s ASN 79 CO -0.37 -0.04 0.00 0.61 -2.04 0.00 0.00 177.10 175.25 3a0c n GLY 80 N 3.46 4.35 3.68 0.45 0.00 0.30 -4.95 105.19 112.48 3a0c n GLY 80 Ca -0.07 -0.56 -0.47 0.00 0.00 0.00 0.00 46.02 44.92 3a0c n GLY 80 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3a0c n LYS 81 N 0.00 2.16 -1.97 1.61 4.81 -1.26 -4.75 118.16 118.75 3a0c n LYS 81 Ca 0.00 0.79 -0.40 0.00 -0.87 0.00 0.00 58.31 57.82 3a0c n LYS 81 Cb 0.00 -2.60 -0.03 0.00 0.02 0.00 0.00 35.03 32.42 3a0c n LYS 81 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 3a0c s GLU 82 N 2.69 2.94 0.00 1.64 2.56 -1.26 -4.44 118.70 122.82 3a0c s GLU 82 Ca 0.87 1.11 0.00 0.00 0.00 0.00 0.00 54.97 56.95 3a0c s GLU 82 Cb -0.69 -4.31 0.00 0.00 2.00 0.00 0.00 34.13 31.13 3a0c s GLU 82 CO 0.46 -2.34 0.00 -3.47 -0.56 0.00 0.00 175.26 169.35 3a0c n ASP 83 N 11.81 0.00 -3.76 -1.70 -0.08 0.42 -4.98 116.55 118.27 3a0c n ASP 83 Ca 0.23 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.39 3a0c n ASP 83 Cb 0.50 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.83 3a0c n ASP 83 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 3a0c s HIS 84 N 2.42 -0.29 0.39 -0.67 3.76 -1.23 -4.65 115.29 115.02 3a0c s HIS 84 Ca 0.00 0.70 0.04 0.00 -0.15 0.00 0.00 55.06 55.65 3a0c s HIS 84 Cb 0.00 0.06 -0.03 0.00 1.11 0.00 0.00 32.58 33.72 3a0c s HIS 84 CO 0.00 -0.18 0.11 0.71 -0.85 0.00 0.00 174.74 174.53 3a0c s TYR 85 N 0.78 1.81 -0.05 1.40 1.51 -1.26 -2.89 117.35 118.65 3a0c s TYR 85 Ca -0.05 -1.22 -0.08 0.00 -1.01 0.00 0.00 57.07 54.70 3a0c s TYR 85 Cb -0.07 -1.17 0.02 0.00 -0.11 0.00 0.00 41.96 40.62 3a0c s TYR 85 CO -0.05 -0.24 0.20 0.54 -1.11 0.00 0.00 175.55 174.90 3a0c s VAL 86 N -3.24 0.03 -0.25 0.71 0.11 -0.33 -0.44 120.40 116.99 3a0c s VAL 86 Ca 0.26 -0.28 -0.06 0.00 -2.93 0.00 0.00 61.98 58.98 3a0c s VAL 86 Cb 0.04 -0.38 -0.01 0.00 -1.53 0.00 0.00 36.38 34.49 3a0c s VAL 86 CO 0.14 -0.15 0.03 -0.22 -3.33 0.00 0.00 175.10 171.57 3a0c s LEU 87 N -0.53 3.30 -0.15 2.54 0.20 0.10 -0.61 118.68 123.53 3a0c s LEU 87 Ca -0.06 -0.36 0.01 0.00 0.69 0.00 0.00 54.13 54.41 3a0c s LEU 87 Cb -0.04 -1.85 0.01 0.00 -0.43 0.00 0.00 46.19 43.88 3a0c s LEU 87 CO 0.01 -0.05 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.14 3a0c s VAL 88 N 1.55 2.31 -0.44 1.68 1.01 0.23 -0.91 120.40 125.83 3a0c s VAL 88 Ca 0.06 -0.89 -0.21 0.00 0.00 0.00 0.00 61.98 60.93 3a0c s VAL 88 Cb -0.15 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.30 3a0c s VAL 88 CO 0.01 0.53 0.68 -0.22 0.00 0.00 0.00 175.10 176.11 3a0c s LEU 89 N 0.86 4.41 0.26 3.92 2.96 -0.61 -0.95 118.68 129.52 3a0c s LEU 89 Ca -0.05 -0.24 -0.06 0.00 -0.22 0.00 0.00 54.13 53.56 3a0c s LEU 89 Cb -0.15 -2.80 -0.06 0.00 0.50 0.00 0.00 46.19 43.68 3a0c s LEU 89 CO -0.02 -0.81 0.53 -1.10 -1.32 0.00 0.00 176.35 173.63 3a0c s GLN 90 N 2.95 3.67 0.48 1.98 -0.21 -0.53 -4.79 119.66 123.22 3a0c s GLN 90 Ca 0.25 0.06 0.33 0.00 0.02 0.00 0.00 55.36 56.02 3a0c s GLN 90 Cb -0.14 -2.67 1.75 0.00 1.00 0.00 0.00 33.01 32.95 3a0c s GLN 90 CO 0.20 0.27 2.00 1.96 -2.12 0.00 0.00 175.29 177.60 3a0c h GLN 91 N 2.03 0.00 -0.32 2.91 4.20 -1.88 0.41 115.11 122.47 3a0c h GLN 91 Ca -0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.24 3a0c h GLN 91 Cb 1.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.96 3a0c h GLN 91 CO 0.68 0.00 0.00 -0.40 -0.67 0.00 0.00 178.83 178.44 3a0c n ASP 92 N -2.66 1.81 0.00 1.46 5.75 -1.26 -4.56 116.55 117.08 3a0c n ASP 92 Ca -0.02 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 3a0c n ASP 92 Cb 0.07 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 3a0c n ASP 92 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3a0c n ARG 93 N 0.47 -0.17 -3.20 0.11 0.63 0.15 -5.01 116.66 109.64 3a0c n ARG 93 Ca 0.12 0.04 -0.37 0.00 -0.92 0.00 0.00 57.85 56.73 3a0c n ARG 93 Cb 0.30 -3.38 -0.06 0.00 0.45 0.00 0.00 32.46 29.76 3a0c n ARG 93 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 3a0c s ASN 94 N -2.48 7.02 -0.32 6.15 2.47 -1.25 -4.80 114.94 121.74 3a0c s ASN 94 Ca 0.00 1.31 -0.06 0.00 0.42 0.00 0.00 52.86 54.53 3a0c s ASN 94 Cb 0.00 -2.38 0.03 0.00 -1.45 0.00 0.00 41.25 37.45 3a0c s ASN 94 CO 0.00 0.12 0.07 -0.69 -3.72 0.00 0.00 177.10 172.88 3a0c s VAL 95 N -1.38 3.68 0.07 -5.21 1.01 -1.26 -1.45 120.40 115.85 3a0c s VAL 95 Ca 0.38 -1.03 0.10 0.00 0.00 0.00 0.00 61.98 61.43 3a0c s VAL 95 Cb -0.17 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 3a0c s VAL 95 CO 0.20 -0.07 -0.26 -0.69 0.00 0.00 0.00 175.10 174.29 3a0c s VAL 96 N 1.41 2.13 -0.20 2.92 1.01 -0.13 -4.93 120.40 122.61 3a0c s VAL 96 Ca -0.01 -1.47 -0.07 0.00 0.00 0.00 0.00 61.98 60.44 3a0c s VAL 96 Cb -0.19 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3a0c s VAL 96 CO 0.02 0.28 0.04 -0.63 0.00 0.00 0.00 175.10 174.82 3a0c s ILE 97 N -0.87 4.40 0.19 2.22 1.01 -1.26 0.75 121.20 127.64 3a0c s ILE 97 Ca 0.12 -0.16 0.11 0.00 0.00 0.00 0.00 60.65 60.72 3a0c s ILE 97 Cb -0.10 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 3a0c s ILE 97 CO 0.03 0.42 -0.23 -0.31 0.00 0.00 0.00 174.94 174.85 3a0c s TYR 98 N 0.87 2.20 0.00 3.97 1.51 0.22 -4.96 117.35 121.16 3a0c s TYR 98 Ca 0.03 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.71 3a0c s TYR 98 Cb -0.14 -1.09 0.00 0.00 -0.11 0.00 0.00 41.96 40.62 3a0c s TYR 98 CO 0.02 0.47 0.00 0.41 -1.11 0.00 0.00 175.55 175.34 3a0c n GLY 99 N 0.26 2.58 0.00 0.71 0.00 -1.26 -1.19 105.19 106.30 3a0c n GLY 99 Ca -0.13 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.82 3a0c n GLY 99 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3a0c n PRO 100 N -1.09 0.36 -2.51 1.61 -0.02 -1.26 -5.07 135.00 127.02 3a0c n PRO 100 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.07 3a0c n PRO 100 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.44 3a0c n PRO 100 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3a0c s VAL 101 N -0.42 3.90 -0.16 -1.45 -7.23 -1.14 -4.94 120.40 108.95 3a0c s VAL 101 Ca 0.00 1.61 0.07 0.00 -1.81 0.00 0.00 61.98 61.84 3a0c s VAL 101 Cb 0.00 -4.02 -0.15 0.00 0.56 0.00 0.00 36.38 32.77 3a0c s VAL 101 CO 0.00 0.26 -0.06 0.52 -0.31 0.00 0.00 175.10 175.51 3a0c n VAL 102 N 2.52 1.02 -3.50 1.32 0.31 -1.26 -5.04 118.33 113.70 3a0c n VAL 102 Ca 0.03 -0.50 -0.12 0.00 -0.01 0.00 0.00 64.34 63.74 3a0c n VAL 102 Cb 0.46 -0.90 -0.04 0.00 -0.91 0.00 0.00 33.84 32.46 3a0c n VAL 102 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 3a0c s TRP 103 N -2.36 -0.48 0.07 3.52 -0.00 -1.26 -5.18 118.94 113.24 3a0c s TRP 103 Ca -0.16 0.56 -0.17 0.00 -0.00 0.00 0.00 56.10 56.33 3a0c s TRP 103 Cb 0.05 0.49 0.03 0.00 -0.00 0.00 0.00 33.47 34.05 3a0c s TRP 103 CO 0.50 -0.60 0.39 0.00 -0.00 0.00 0.00 176.95 177.24 3a0c s ALA 104 N -2.40 -0.91 0.02 5.86 0.00 -1.26 -5.06 121.76 118.00 3a0c s ALA 104 Ca -0.01 0.13 0.10 0.00 0.00 0.00 0.00 51.96 52.18 3a0c s ALA 104 Cb -0.01 0.44 -0.12 0.00 0.00 0.00 0.00 23.12 23.44 3a0c s ALA 104 CO -0.03 -0.50 1.30 1.79 0.00 0.00 0.00 175.76 178.31 3a0c h THR 105 N 2.85 1.39 0.00 0.00 1.35 -2.03 -3.47 112.91 113.00 3a0c h THR 105 Ca -0.32 -2.99 0.00 0.00 -0.55 0.00 0.00 66.41 62.55 3a0c h THR 105 Cb 1.22 2.68 0.00 0.00 -1.73 0.00 0.00 68.15 70.32 3a0c h THR 105 CO 0.45 0.79 0.00 0.61 -0.25 0.00 0.00 175.52 177.12 3a0c n GLY 106 N 1.32 0.60 0.00 5.82 0.00 -1.26 -4.89 105.19 106.78 3a0c n GLY 106 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3a0c n GLY 106 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a0c n SER 107 N 0.00 0.00 -3.32 1.61 3.41 -1.26 -4.80 113.62 109.25 3a0c n SER 107 Ca 0.00 0.02 -0.17 0.00 -0.26 0.00 0.00 58.87 58.46 3a0c n SER 107 Cb 0.00 -0.31 -0.06 0.00 -0.26 0.00 0.00 64.21 63.57 3a0c n SER 107 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3a0c s GLY 108 N -2.62 1.95 0.00 5.00 0.00 -1.26 -5.32 107.32 105.06 3a0c s GLY 108 Ca 0.21 -1.83 0.21 0.00 0.00 0.00 0.00 44.72 43.31 3a0c s GLY 108 CO 0.36 -1.26 1.62 -1.55 0.00 0.00 0.00 173.10 172.27