#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 1.77 -3.89 4.52 6.94 -1.26 -1.72 115.26 121.62 3a0c n ASN 2 Ca 0.00 -3.66 -0.11 0.00 -0.02 0.00 0.00 54.58 50.79 3a0c n ASN 2 Cb 0.00 -0.50 -0.10 0.00 -2.36 0.00 0.00 39.78 36.82 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 -3.10 0.06 -0.12 0.53 1.04 -1.26 -1.34 113.70 109.51 3a0c s SER 3 Ca 0.36 -0.27 -0.02 0.00 0.48 0.00 0.00 55.95 56.51 3a0c s SER 3 Cb 0.35 0.19 0.04 0.00 0.10 0.00 0.00 66.02 66.71 3a0c s SER 3 CO -0.06 -0.37 0.01 -0.22 0.98 0.00 0.00 173.24 173.58 3a0c s LEU 4 N -1.45 0.85 0.08 2.42 2.96 -0.19 -4.97 118.68 118.37 3a0c s LEU 4 Ca -0.14 -0.40 0.04 0.00 -0.22 0.00 0.00 54.13 53.41 3a0c s LEU 4 Cb -0.07 -0.52 -0.04 0.00 0.50 0.00 0.00 46.19 46.06 3a0c s LEU 4 CO 0.01 -0.24 0.01 -0.94 -1.32 0.00 0.00 176.35 173.88 3a0c s SER 5 N 1.92 5.12 0.20 3.68 1.04 -1.26 0.22 113.70 124.62 3a0c s SER 5 Ca 0.03 -0.13 -0.32 0.00 0.48 0.00 0.00 55.95 56.01 3a0c s SER 5 Cb -0.14 -1.26 -0.15 0.00 0.10 0.00 0.00 66.02 64.57 3a0c s SER 5 CO -0.07 0.19 1.21 -1.20 0.98 0.00 0.00 173.24 174.35 3a0c n SER 6 N 0.64 1.72 -2.28 7.02 7.64 0.21 -0.98 113.62 127.60 3a0c n SER 6 Ca -0.11 1.15 -0.31 0.00 1.01 0.00 0.00 58.87 60.61 3a0c n SER 6 Cb 0.52 -1.28 0.05 0.00 -1.01 0.00 0.00 64.21 62.49 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 1.72 3.04 -0.99 1.43 -0.04 -1.26 -4.79 135.00 134.12 3a0c n PRO 7 Ca 0.13 -3.66 -0.29 0.00 -0.04 0.00 0.00 63.50 59.65 3a0c n PRO 7 Cb 0.27 -2.28 0.19 0.00 -0.04 0.00 0.00 33.50 31.63 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 -2.45 2.40 0.05 3.54 -0.87 -0.15 -4.66 114.94 112.80 3a0c s ASN 8 Ca 0.59 1.40 0.00 0.00 -1.57 0.00 0.00 52.86 53.28 3a0c s ASN 8 Cb 0.47 -2.08 -0.03 0.00 -0.02 0.00 0.00 41.25 39.58 3a0c s ASN 8 CO -0.03 -3.30 -0.04 -0.55 -2.57 0.00 0.00 177.10 170.60 3a0c s SER 9 N -3.16 0.60 -0.45 -1.22 0.15 -1.26 -2.42 113.70 105.92 3a0c s SER 9 Ca 0.66 -0.80 -0.06 0.00 0.70 0.00 0.00 55.95 56.45 3a0c s SER 9 Cb -0.20 0.13 0.12 0.00 -1.71 0.00 0.00 66.02 64.35 3a0c s SER 9 CO 0.59 -0.43 0.29 -0.76 1.20 0.00 0.00 173.24 174.13 3a0c s LEU 10 N -2.35 5.47 1.09 3.45 1.43 0.48 -4.93 118.68 123.33 3a0c s LEU 10 Ca -0.01 -2.04 -0.16 0.00 -1.03 0.00 0.00 54.13 50.89 3a0c s LEU 10 Cb -0.00 -1.92 0.24 0.00 0.03 0.00 0.00 46.19 44.54 3a0c s LEU 10 CO -0.05 -0.60 1.14 -0.36 0.23 0.00 0.00 176.35 176.71 3a0c s PHE 11 N 1.16 1.23 0.09 0.29 0.40 -1.26 -1.30 117.98 118.59 3a0c s PHE 11 Ca 0.08 0.62 -0.35 0.00 -0.60 0.00 0.00 56.93 56.67 3a0c s PHE 11 Cb -0.24 -3.49 -0.15 0.00 0.51 0.00 0.00 43.02 39.65 3a0c s PHE 11 CO -0.03 -3.33 1.53 2.41 0.70 0.00 0.00 175.22 176.50 3a0c n THR 12 N -4.39 0.06 0.00 0.64 -1.04 -0.98 -0.95 114.28 107.63 3a0c n THR 12 Ca 0.11 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 3a0c n THR 12 Cb 0.59 -1.30 0.00 0.00 -1.82 0.00 0.00 70.33 67.80 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 3.22 2.24 3.85 3.41 0.00 0.31 -4.96 105.19 113.26 3a0c n GLY 13 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.59 3.42 0.19 1.61 4.02 -0.12 -4.80 115.29 117.02 3a0c s HIS 14 Ca 0.00 1.37 -0.16 0.00 1.02 0.00 0.00 55.06 57.29 3a0c s HIS 14 Cb 0.00 -2.70 0.02 0.00 -1.02 0.00 0.00 32.58 28.88 3a0c s HIS 14 CO 0.00 -0.22 0.47 -1.54 1.02 0.00 0.00 174.74 174.48 3a0c s SER 15 N -2.86 -0.19 0.10 1.40 1.04 -1.26 -1.07 113.70 110.86 3a0c s SER 15 Ca 0.57 -0.57 0.06 0.00 0.48 0.00 0.00 55.95 56.49 3a0c s SER 15 Cb -0.10 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 3a0c s SER 15 CO 0.27 -1.02 -0.05 -0.76 0.98 0.00 0.00 173.24 172.65 3a0c s LEU 16 N -2.90 3.25 -0.06 2.42 1.43 -0.19 -4.91 118.68 117.72 3a0c s LEU 16 Ca 0.11 -0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 52.87 3a0c s LEU 16 Cb -0.00 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.22 3a0c s LEU 16 CO -0.02 0.18 0.17 -1.61 0.23 0.00 0.00 176.35 175.29 3a0c s GLU 17 N -2.26 0.23 0.02 1.70 2.02 -0.70 -0.72 118.70 119.00 3a0c s GLU 17 Ca 0.24 0.16 -0.14 0.00 0.02 0.00 0.00 54.97 55.24 3a0c s GLU 17 Cb -0.11 0.11 0.02 0.00 0.10 0.00 0.00 34.13 34.25 3a0c s GLU 17 CO 0.16 -0.04 0.29 0.54 0.02 0.00 0.00 175.26 176.24 3a0c s VAL 18 N -0.10 0.08 0.75 2.63 0.11 -0.67 -4.01 120.40 119.20 3a0c s VAL 18 Ca -0.02 -0.63 -0.11 0.00 -2.93 0.00 0.00 61.98 58.29 3a0c s VAL 18 Cb -0.02 -0.82 0.04 0.00 -1.53 0.00 0.00 36.38 34.05 3a0c s VAL 18 CO 0.00 -0.35 1.09 -0.83 -3.33 0.00 0.00 175.10 171.69 3a0c s GLY 19 N -1.82 1.73 0.15 6.54 0.00 -1.26 -1.39 107.32 111.26 3a0c s GLY 19 Ca -0.08 0.27 -0.09 0.00 0.00 0.00 0.00 44.72 44.82 3a0c s GLY 19 CO -0.01 0.62 1.44 -0.56 0.00 0.00 0.00 173.10 174.59 3a0c h PRO 20 N -0.95 0.80 -0.09 2.90 0.13 -1.95 -3.40 132.00 129.45 3a0c h PRO 20 Ca -0.44 -0.50 -0.22 0.00 -0.87 0.00 0.00 66.00 63.97 3a0c h PRO 20 Cb 1.23 0.06 -0.18 0.00 0.13 0.00 0.00 31.00 32.24 3a0c h PRO 20 CO 0.52 1.13 -0.42 -1.13 -0.23 0.00 0.00 178.00 177.88 3a0c n SER 21 N -4.00 -1.45 -4.71 1.44 3.41 -1.24 -5.06 113.62 102.01 3a0c n SER 21 Ca -0.04 -2.41 -0.35 0.00 -0.26 0.00 0.00 58.87 55.81 3a0c n SER 21 Cb 0.62 0.78 -0.09 0.00 -0.26 0.00 0.00 64.21 65.26 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 -0.18 3.26 -0.10 7.33 4.12 -0.49 -1.34 117.35 129.95 3a0c s TYR 22 Ca 0.19 0.23 -0.04 0.00 0.02 0.00 0.00 57.07 57.47 3a0c s TYR 22 Cb 0.41 -1.86 0.05 0.00 -1.52 0.00 0.00 41.96 39.04 3a0c s TYR 22 CO -0.09 0.46 0.21 1.03 0.02 0.00 0.00 175.55 177.19 3a0c s ARG 23 N -0.70 0.10 -0.38 -0.62 0.52 -0.91 -1.66 118.95 115.29 3a0c s ARG 23 Ca 0.12 0.63 -0.11 0.00 -0.52 0.00 0.00 55.73 55.84 3a0c s ARG 23 Cb -0.12 -0.15 0.02 0.00 0.52 0.00 0.00 34.95 35.22 3a0c s ARG 23 CO 0.02 -0.28 0.22 -1.17 0.02 0.00 0.00 175.30 174.11 3a0c s LEU 24 N 2.19 4.74 0.03 2.53 2.96 0.10 -0.72 118.68 130.51 3a0c s LEU 24 Ca 0.00 -0.95 0.09 0.00 -0.22 0.00 0.00 54.13 53.05 3a0c s LEU 24 Cb -0.12 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 3a0c s LEU 24 CO -0.07 -0.38 -0.26 -0.51 -1.32 0.00 0.00 176.35 173.81 3a0c s ILE 25 N 1.57 2.17 -0.69 6.68 2.07 -0.48 -1.02 121.20 131.50 3a0c s ILE 25 Ca 0.03 -1.33 -0.16 0.00 -1.41 0.00 0.00 60.65 57.78 3a0c s ILE 25 Cb -0.19 -1.83 0.16 0.00 0.13 0.00 0.00 42.46 40.73 3a0c s ILE 25 CO 0.07 0.40 0.68 -0.32 -1.91 0.00 0.00 174.94 173.86 3a0c s MET 26 N -1.15 3.29 0.89 3.50 -2.45 -0.23 -2.32 119.30 120.83 3a0c s MET 26 Ca 0.12 -1.97 -0.12 0.00 -1.25 0.00 0.00 55.69 52.47 3a0c s MET 26 Cb -0.10 -4.39 0.12 0.00 1.25 0.00 0.00 34.83 31.71 3a0c s MET 26 CO 0.02 -1.37 1.10 -0.65 1.05 0.00 0.00 175.02 175.16 3a0c s GLN 27 N 1.24 1.34 0.41 4.11 -0.21 -0.99 0.12 119.66 125.68 3a0c s GLN 27 Ca 0.12 0.64 0.28 0.00 0.02 0.00 0.00 55.36 56.43 3a0c s GLN 27 Cb -0.19 -1.83 1.06 0.00 1.00 0.00 0.00 33.01 33.05 3a0c s GLN 27 CO -0.02 -2.14 1.83 0.78 -2.12 0.00 0.00 175.29 173.62 3a0c h GLY 28 N -1.47 0.00 -1.09 3.09 0.00 -1.93 -2.76 103.07 98.92 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 0.57 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.20 3a0c n ASP 29 N -2.74 1.75 0.00 0.19 5.75 -1.26 -4.40 116.55 115.84 3a0c n ASP 29 Ca 0.02 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 3a0c n ASP 29 Cb 0.32 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 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 -2.34 6.74 -0.48 0.00 2.47 -1.26 -4.43 114.94 115.64 3a0c s ASN 31 Ca 0.00 0.91 -0.17 0.00 0.42 0.00 0.00 52.86 54.02 3a0c s ASN 31 Cb 0.00 -2.37 0.06 0.00 -1.45 0.00 0.00 41.25 37.49 3a0c s ASN 31 CO 0.00 -0.28 0.48 0.12 -3.72 0.00 0.00 177.10 173.70 3a0c s PHE 32 N 1.89 3.16 0.09 0.43 5.36 -1.26 -2.35 117.98 125.29 3a0c s PHE 32 Ca 0.31 -0.70 0.07 0.00 -0.96 0.00 0.00 56.93 55.64 3a0c s PHE 32 Cb -0.16 -3.25 -0.03 0.00 -0.34 0.00 0.00 43.02 39.23 3a0c s PHE 32 CO 0.11 -0.87 -0.18 0.54 -1.46 0.00 0.00 175.22 173.36 3a0c s VAL 33 N 2.08 1.43 -0.27 3.12 0.11 -0.98 -0.01 120.40 125.88 3a0c s VAL 33 Ca 0.09 -1.42 -0.09 0.00 -2.93 0.00 0.00 61.98 57.63 3a0c s VAL 33 Cb -0.21 -1.33 -0.03 0.00 -1.53 0.00 0.00 36.38 33.28 3a0c s VAL 33 CO 0.10 -0.13 0.12 -0.22 -3.33 0.00 0.00 175.10 171.64 3a0c s LEU 34 N -1.80 3.74 -0.05 2.54 2.96 0.11 -1.39 118.68 124.79 3a0c s LEU 34 Ca 0.03 -0.18 -0.03 0.00 -0.22 0.00 0.00 54.13 53.72 3a0c s LEU 34 Cb -0.10 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 3a0c s LEU 34 CO 0.03 -0.06 0.12 -0.31 -1.32 0.00 0.00 176.35 174.81 3a0c s TYR 35 N 1.67 3.44 -0.32 5.38 2.02 0.10 -1.03 117.35 128.61 3a0c s TYR 35 Ca 0.06 0.34 0.01 0.00 -0.37 0.00 0.00 57.07 57.12 3a0c s TYR 35 Cb -0.16 -1.83 0.10 0.00 -0.40 0.00 0.00 41.96 39.67 3a0c s TYR 35 CO 0.07 0.63 0.07 0.34 -1.57 0.00 0.00 175.55 175.08 3a0c s ASP 36 N -1.50 4.31 -1.48 2.29 -1.08 0.15 -2.15 116.67 117.21 3a0c s ASP 36 Ca 0.21 -1.82 -0.03 0.00 -0.52 0.00 0.00 52.55 50.39 3a0c s ASP 36 Cb -0.12 -1.19 0.01 0.00 -1.46 0.00 0.00 42.92 40.16 3a0c s ASP 36 CO 0.11 -0.39 0.25 -1.20 0.52 0.00 0.00 175.17 174.46 3a0c n SER 37 N 4.60 -5.22 0.00 -0.34 7.64 -0.45 -1.26 113.62 118.59 3a0c n SER 37 Ca -0.00 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.78 3a0c n SER 37 Cb 0.42 -4.32 0.00 0.00 -1.01 0.00 0.00 64.21 59.30 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 -1.14 0.06 3.55 0.23 0.00 -1.26 -5.06 105.19 101.57 3a0c n GLY 38 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.99 3.85 -0.39 1.61 2.20 -0.39 -5.06 119.74 120.57 3a0c s LYS 39 Ca 0.00 -0.38 -0.29 0.00 -0.36 0.00 0.00 55.97 54.94 3a0c s LYS 39 Cb 0.00 -3.42 0.01 0.00 -1.51 0.00 0.00 37.83 32.91 3a0c s LYS 39 CO 0.00 -0.06 1.46 -1.25 -0.36 0.00 0.00 175.35 175.13 3a0c s PRO 40 N 1.34 3.56 0.02 4.03 0.04 -1.26 0.29 135.00 143.03 3a0c s PRO 40 Ca 0.06 1.02 0.22 0.00 0.04 0.00 0.00 61.00 62.34 3a0c s PRO 40 Cb -0.15 -4.04 -0.16 0.00 0.04 0.00 0.00 34.50 30.20 3a0c s PRO 40 CO 0.05 -1.58 0.80 1.33 0.04 0.00 0.00 177.00 177.64 3a0c n VAL 41 N 7.07 0.11 -3.55 -0.36 0.24 -0.20 -4.97 118.33 116.67 3a0c n VAL 41 Ca 0.17 -0.32 -0.16 0.00 -2.04 0.00 0.00 64.34 62.00 3a0c n VAL 41 Cb 0.48 0.24 -0.06 0.00 -1.47 0.00 0.00 33.84 33.03 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 -3.29 -0.52 -0.08 6.34 -0.00 -1.15 -4.99 118.94 115.25 3a0c s TRP 42 Ca -0.00 0.74 -0.30 0.00 -0.00 0.00 0.00 56.10 56.53 3a0c s TRP 42 Cb 0.14 0.37 0.09 0.00 -0.00 0.00 0.00 33.47 34.07 3a0c s TRP 42 CO 0.86 -0.62 0.81 0.00 -0.00 0.00 0.00 176.95 177.99 3a0c s ALA 43 N -1.89 -1.82 -1.00 5.86 0.00 -1.26 0.07 121.76 121.71 3a0c s ALA 43 Ca -0.08 1.35 0.22 0.00 0.00 0.00 0.00 51.96 53.45 3a0c s ALA 43 Cb -0.01 -0.19 0.92 0.00 0.00 0.00 0.00 23.12 23.85 3a0c s ALA 43 CO 0.03 -0.39 1.69 -1.13 0.00 0.00 0.00 175.76 175.96 3a0c n SER 44 N 0.69 0.00 -2.35 0.00 3.41 0.99 -4.90 113.62 111.47 3a0c n SER 44 Ca -0.15 0.50 -0.21 0.00 -0.26 0.00 0.00 58.87 58.75 3a0c n SER 44 Cb 0.58 -0.50 -0.01 0.00 -0.26 0.00 0.00 64.21 64.02 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 -1.50 -5.89 -1.31 4.04 3.02 -1.26 -4.87 115.26 107.49 3a0c n ASN 45 Ca 0.05 -0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.68 3a0c n ASN 45 Cb 0.25 -4.90 0.31 0.00 -0.61 0.00 0.00 39.78 34.83 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 -3.97 2.01 -1.68 3.41 -2.24 -1.26 -5.00 114.28 105.56 3a0c n THR 46 Ca -0.25 -1.40 -0.46 0.00 -2.27 0.00 0.00 64.05 59.67 3a0c n THR 46 Cb 0.69 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.88 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 0.48 1.44 1.59 3.38 0.00 -1.26 -1.35 105.19 109.48 3a0c n GLY 47 Ca 0.23 0.77 0.00 0.00 0.00 0.00 0.00 46.02 47.02 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 4.11 0.77 0.08 -0.02 0.00 0.39 -4.93 105.19 105.58 3a0c n GLY 48 Ca 0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.35 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 0.55 -3.83 0.99 4.77 -0.45 -4.98 117.00 114.05 3a0c n LEU 49 Ca 0.00 0.01 -0.05 0.00 -0.03 0.00 0.00 56.01 55.94 3a0c n LEU 49 Cb 0.00 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 40.85 3a0c n LEU 49 CO 0.00 0.12 0.71 -0.83 -1.33 0.00 0.00 177.39 176.05 3a0c s GLY 50 N -2.80 0.05 0.03 -0.72 0.00 -1.26 -5.03 107.32 97.59 3a0c s GLY 50 Ca 0.17 -0.28 0.06 0.00 0.00 0.00 0.00 44.72 44.67 3a0c s GLY 50 CO 0.60 0.97 -0.18 -0.56 0.00 0.00 0.00 173.10 173.93 3a0c s SER 51 N -3.17 2.18 -1.40 1.64 0.01 -1.26 -4.25 113.70 107.46 3a0c s SER 51 Ca 0.17 -0.47 -0.09 0.00 1.31 0.00 0.00 55.95 56.87 3a0c s SER 51 Cb -0.03 -0.18 0.03 0.00 0.21 0.00 0.00 66.02 66.05 3a0c s SER 51 CO 0.06 0.14 1.06 0.61 0.41 0.00 0.00 173.24 175.52 3a0c n GLY 52 N 2.01 -0.49 3.79 3.44 0.00 -1.26 0.99 105.19 113.67 3a0c n GLY 52 Ca -0.17 0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.53 0.40 -0.32 0.00 1.70 -0.75 -2.32 118.95 113.13 3a0c s ARG 54 Ca 0.63 -0.37 -0.08 0.00 -0.47 0.00 0.00 55.73 55.43 3a0c s ARG 54 Cb -0.17 0.16 0.01 0.00 -0.57 0.00 0.00 34.95 34.38 3a0c s ARG 54 CO 0.48 -0.09 0.12 -1.17 -1.08 0.00 0.00 175.30 173.56 3a0c s LEU 55 N -1.21 4.12 -0.14 -1.89 2.96 -0.42 -1.88 118.68 120.22 3a0c s LEU 55 Ca -0.13 -0.78 -0.03 0.00 -0.22 0.00 0.00 54.13 52.97 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 -0.25 -0.05 -0.89 -1.32 0.00 0.00 176.35 173.86 3a0c s THR 56 N 1.52 3.83 -0.38 3.68 2.01 0.24 -0.38 115.64 126.14 3a0c s THR 56 Ca 0.02 -0.39 -0.11 0.00 0.31 0.00 0.00 61.69 61.53 3a0c s THR 56 Cb -0.18 -2.66 0.03 0.00 0.01 0.00 0.00 72.50 69.71 3a0c s THR 56 CO 0.04 0.51 0.21 -0.22 -0.69 0.00 0.00 174.62 174.47 3a0c s LEU 57 N 0.23 4.77 0.75 4.42 2.96 -1.02 -0.61 118.68 130.18 3a0c s LEU 57 Ca -0.03 -1.07 -0.11 0.00 -0.22 0.00 0.00 54.13 52.70 3a0c s LEU 57 Cb -0.14 -2.02 0.04 0.00 0.50 0.00 0.00 46.19 44.58 3a0c s LEU 57 CO 0.03 -0.41 1.09 -1.00 -1.32 0.00 0.00 176.35 174.74 3a0c s HIS 58 N 1.53 3.01 -1.21 5.38 3.76 -0.48 -3.91 115.29 123.37 3a0c s HIS 58 Ca 0.02 1.18 0.09 0.00 -0.15 0.00 0.00 55.06 56.19 3a0c s HIS 58 Cb -0.20 -3.06 0.40 0.00 1.11 0.00 0.00 32.58 30.84 3a0c s HIS 58 CO 0.06 -1.52 1.22 0.09 -0.85 0.00 0.00 174.74 173.74 3a0c n ASN 59 N -3.27 0.00 -1.21 1.40 3.02 -1.26 -1.98 115.26 111.96 3a0c n ASN 59 Ca 0.07 0.34 0.11 0.00 -0.03 0.00 0.00 54.58 55.07 3a0c n ASN 59 Cb 0.56 -0.40 0.26 0.00 -0.61 0.00 0.00 39.78 39.59 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 -1.40 3.64 0.00 6.41 6.94 -1.26 -0.60 115.26 128.99 3a0c n ASN 60 Ca 0.03 -1.99 0.00 0.00 -0.02 0.00 0.00 54.58 52.60 3a0c n ASN 60 Cb 0.09 -0.35 0.00 0.00 -2.36 0.00 0.00 39.78 37.15 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 1.50 0.84 3.68 4.83 0.00 -0.84 0.12 105.19 115.32 3a0c n GLY 61 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.98 6.97 -0.32 1.61 2.47 -1.23 -4.46 114.94 116.99 3a0c s ASN 62 Ca 0.00 1.18 -0.12 0.00 0.42 0.00 0.00 52.86 54.34 3a0c s ASN 62 Cb 0.00 -2.45 -0.03 0.00 -1.45 0.00 0.00 41.25 37.33 3a0c s ASN 62 CO 0.00 -0.32 0.22 -0.22 -3.72 0.00 0.00 177.10 173.06 3a0c s LEU 63 N 1.79 4.37 0.02 3.21 2.96 -1.26 -1.38 118.68 128.39 3a0c s LEU 63 Ca 0.38 -0.32 0.07 0.00 -0.22 0.00 0.00 54.13 54.05 3a0c s LEU 63 Cb -0.17 -2.13 -0.02 0.00 0.50 0.00 0.00 46.19 44.37 3a0c s LEU 63 CO 0.14 -0.18 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.09 3a0c s VAL 64 N 1.73 1.67 -0.25 1.68 1.01 0.22 -1.35 120.40 125.11 3a0c s VAL 64 Ca 0.06 -1.09 -0.06 0.00 0.00 0.00 0.00 61.98 60.89 3a0c s VAL 64 Cb -0.17 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 3a0c s VAL 64 CO 0.10 0.30 0.03 -0.63 0.00 0.00 0.00 175.10 174.91 3a0c s ILE 65 N -0.69 3.93 -0.03 2.22 1.01 0.10 -0.60 121.20 127.15 3a0c s ILE 65 Ca 0.08 -0.36 0.03 0.00 0.00 0.00 0.00 60.65 60.40 3a0c s ILE 65 Cb -0.09 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.50 3a0c s ILE 65 CO 0.01 0.33 -0.10 -0.31 0.00 0.00 0.00 174.94 174.87 3a0c s TYR 66 N 1.55 2.81 0.20 3.97 2.02 -0.79 -0.47 117.35 126.65 3a0c s TYR 66 Ca 0.06 -0.08 -0.03 0.00 -0.37 0.00 0.00 57.07 56.65 3a0c s TYR 66 Cb -0.15 -1.64 0.05 0.00 -0.40 0.00 0.00 41.96 39.82 3a0c s TYR 66 CO 0.01 0.29 0.27 -0.40 -1.57 0.00 0.00 175.55 174.15 3a0c n ASP 67 N 2.02 0.08 0.18 2.29 5.68 -0.82 -1.81 116.55 124.17 3a0c n ASP 67 Ca -0.17 -1.13 0.14 0.00 -0.50 0.00 0.00 54.79 53.12 3a0c n ASP 67 Cb 0.52 -0.20 0.57 0.00 -1.14 0.00 0.00 41.12 40.87 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 -0.48 0.11 4.15 0.59 -2.48 115.11 117.00 3a0c h GLN 68 Ca -0.09 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.33 3a0c h GLN 68 Cb 0.26 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.95 3a0c h GLN 68 CO 0.07 0.00 0.00 0.43 -1.93 0.00 0.00 178.83 177.40 3a0c n SER 69 N -2.50 5.02 -2.25 -0.69 7.64 -1.26 -4.95 113.62 114.63 3a0c n SER 69 Ca 0.01 -2.88 -0.19 0.00 1.01 0.00 0.00 58.87 56.82 3a0c n SER 69 Cb 0.24 -0.62 -0.00 0.00 -1.01 0.00 0.00 64.21 62.81 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 0.34 -5.44 -4.78 6.43 3.02 -0.93 -5.00 115.26 108.89 3a0c n ASN 70 Ca 0.25 -0.07 -0.38 0.00 -0.03 0.00 0.00 54.58 54.35 3a0c n ASN 70 Cb 1.06 -4.45 -0.06 0.00 -0.61 0.00 0.00 39.78 35.71 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 -5.06 4.19 -0.61 3.52 0.52 -1.26 -4.82 118.95 115.42 3a0c s ARG 71 Ca 0.06 0.55 -0.27 0.00 -0.52 0.00 0.00 55.73 55.55 3a0c s ARG 71 Cb -0.03 -3.32 -0.01 0.00 0.52 0.00 0.00 34.95 32.12 3a0c s ARG 71 CO 0.07 0.45 1.70 0.08 0.02 0.00 0.00 175.30 177.62 3a0c s VAL 72 N -0.36 3.48 0.02 3.52 1.01 -1.26 -1.94 120.40 124.86 3a0c s VAL 72 Ca 0.27 0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.59 3a0c s VAL 72 Cb -0.17 -4.16 -0.25 0.00 0.00 0.00 0.00 36.38 31.80 3a0c s VAL 72 CO 0.14 -1.08 0.91 0.40 0.00 0.00 0.00 175.10 175.48 3a0c h ILE 73 N 6.67 1.22 -2.19 2.22 1.08 -1.14 -3.48 117.51 121.89 3a0c h ILE 73 Ca -0.27 -2.92 -0.04 0.00 -0.39 0.00 0.00 64.86 61.25 3a0c h ILE 73 Cb 1.13 2.71 -0.18 0.00 -3.07 0.00 0.00 36.82 37.42 3a0c h ILE 73 CO 1.21 0.79 0.23 0.86 -0.69 0.00 0.00 178.15 180.56 3a0c s TRP 74 N -2.63 -0.60 -0.15 1.37 -0.00 -1.12 -4.98 118.94 110.83 3a0c s TRP 74 Ca -0.06 0.89 -0.29 0.00 -0.00 0.00 0.00 56.10 56.64 3a0c s TRP 74 Cb 0.08 0.45 0.10 0.00 -0.00 0.00 0.00 33.47 34.09 3a0c s TRP 74 CO 0.84 -0.64 0.84 1.14 -0.00 0.00 0.00 176.95 179.13 3a0c s GLN 75 N -1.79 0.80 0.24 5.86 -2.07 -1.26 0.01 119.66 121.45 3a0c s GLN 75 Ca -0.07 0.39 0.25 0.00 -1.82 0.00 0.00 55.36 54.10 3a0c s GLN 75 Cb -0.00 0.38 0.50 0.00 -1.09 0.00 0.00 33.01 32.79 3a0c s GLN 75 CO 0.04 -0.21 1.54 1.79 -1.32 0.00 0.00 175.29 177.13 3a0c h THR 76 N 3.11 0.00 -3.49 3.63 1.35 -1.60 -3.47 112.91 112.44 3a0c h THR 76 Ca -0.25 -0.65 -0.31 0.00 -0.55 0.00 0.00 66.41 64.65 3a0c h THR 76 Cb 1.16 1.49 -0.02 0.00 -1.73 0.00 0.00 68.15 69.05 3a0c h THR 76 CO 0.27 0.00 -0.40 1.17 -0.25 0.00 0.00 175.52 176.31 3a0c n LYS 77 N -2.45 -2.01 -1.78 4.72 4.81 -1.26 -4.87 118.16 115.32 3a0c n LYS 77 Ca 0.04 0.76 -0.37 0.00 -0.87 0.00 0.00 58.31 57.88 3a0c n LYS 77 Cb 0.47 -5.38 0.02 0.00 0.02 0.00 0.00 35.03 30.15 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 -3.61 3.53 -3.26 3.15 -2.24 -1.26 -4.98 114.28 105.61 3a0c n THR 78 Ca -0.19 -3.90 -0.38 0.00 -2.27 0.00 0.00 64.05 57.31 3a0c n THR 78 Cb 0.64 -1.32 -0.06 0.00 -2.10 0.00 0.00 70.33 67.50 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 -0.78 6.74 0.00 3.42 4.22 -1.26 -3.57 114.94 123.70 3a0c s ASN 79 Ca 0.54 0.88 0.00 0.00 -2.14 0.00 0.00 52.86 52.14 3a0c s ASN 79 Cb 0.43 -2.31 0.00 0.00 1.28 0.00 0.00 41.25 40.65 3a0c s ASN 79 CO -0.35 -0.03 0.00 0.61 -2.04 0.00 0.00 177.10 175.29 3a0c n GLY 80 N 3.25 4.35 3.68 0.45 0.00 0.32 -4.95 105.19 112.30 3a0c n GLY 80 Ca -0.06 -0.56 -0.45 0.00 0.00 0.00 0.00 46.02 44.95 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 2.50 -1.96 1.61 4.81 -1.26 -4.76 118.16 119.10 3a0c n LYS 81 Ca 0.00 0.91 -0.40 0.00 -0.87 0.00 0.00 58.31 57.95 3a0c n LYS 81 Cb 0.00 -2.77 -0.03 0.00 0.02 0.00 0.00 35.03 32.26 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 2.71 2.79 0.00 1.64 2.56 -1.26 -4.43 118.70 122.71 3a0c s GLU 82 Ca 0.84 1.00 0.00 0.00 0.00 0.00 0.00 54.97 56.81 3a0c s GLU 82 Cb -0.58 -4.35 0.00 0.00 2.00 0.00 0.00 34.13 31.20 3a0c s GLU 82 CO 0.41 -2.52 0.00 -3.47 -0.56 0.00 0.00 175.26 169.12 3a0c n ASP 83 N 12.38 0.00 -3.74 -1.70 -0.08 0.23 -4.98 116.55 118.66 3a0c n ASP 83 Ca 0.23 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.39 3a0c n ASP 83 Cb 0.51 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.85 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 2.48 -0.39 0.37 -0.67 3.76 -1.22 -4.68 115.29 114.93 3a0c s HIS 84 Ca 0.00 0.91 0.04 0.00 -0.15 0.00 0.00 55.06 55.86 3a0c s HIS 84 Cb 0.00 0.13 -0.03 0.00 1.11 0.00 0.00 32.58 33.79 3a0c s HIS 84 CO 0.00 -0.21 0.13 0.71 -0.85 0.00 0.00 174.74 174.52 3a0c s TYR 85 N 0.66 1.77 -0.02 1.40 1.51 -1.26 -2.94 117.35 118.47 3a0c s TYR 85 Ca -0.04 -1.28 -0.07 0.00 -1.01 0.00 0.00 57.07 54.67 3a0c s TYR 85 Cb -0.05 -1.09 0.01 0.00 -0.11 0.00 0.00 41.96 40.72 3a0c s TYR 85 CO -0.04 -0.33 0.15 0.54 -1.11 0.00 0.00 175.55 174.75 3a0c s VAL 86 N -3.32 0.05 -0.26 0.71 0.11 -0.42 -0.62 120.40 116.66 3a0c s VAL 86 Ca 0.29 -0.40 -0.06 0.00 -2.93 0.00 0.00 61.98 58.88 3a0c s VAL 86 Cb 0.04 -0.35 -0.01 0.00 -1.53 0.00 0.00 36.38 34.53 3a0c s VAL 86 CO 0.16 -0.22 0.04 -0.22 -3.33 0.00 0.00 175.10 171.53 3a0c s LEU 87 N -0.75 3.42 -0.18 2.54 0.20 0.13 -0.91 118.68 123.13 3a0c s LEU 87 Ca -0.08 -0.40 0.01 0.00 0.69 0.00 0.00 54.13 54.34 3a0c s LEU 87 Cb -0.05 -1.86 0.02 0.00 -0.43 0.00 0.00 46.19 43.86 3a0c s LEU 87 CO 0.01 -0.08 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.12 3a0c s VAL 88 N 1.55 2.19 -0.44 1.68 1.01 0.25 -1.03 120.40 125.61 3a0c s VAL 88 Ca 0.05 -0.90 -0.24 0.00 0.00 0.00 0.00 61.98 60.89 3a0c s VAL 88 Cb -0.15 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.33 3a0c s VAL 88 CO 0.01 0.53 0.86 -0.22 0.00 0.00 0.00 175.10 176.28 3a0c s LEU 89 N 1.23 4.11 0.29 3.92 2.96 -0.45 -1.04 118.68 129.70 3a0c s LEU 89 Ca 0.03 0.09 -0.04 0.00 -0.22 0.00 0.00 54.13 53.99 3a0c s LEU 89 Cb -0.13 -3.09 -0.05 0.00 0.50 0.00 0.00 46.19 43.41 3a0c s LEU 89 CO -0.10 -0.95 0.54 -1.10 -1.32 0.00 0.00 176.35 173.41 3a0c s GLN 90 N 3.49 3.61 0.27 1.98 -0.21 -0.74 -4.80 119.66 123.26 3a0c s GLN 90 Ca 0.34 -0.05 0.21 0.00 0.02 0.00 0.00 55.36 55.88 3a0c s GLN 90 Cb -0.11 -2.66 1.01 0.00 1.00 0.00 0.00 33.01 32.25 3a0c s GLN 90 CO 0.23 0.22 1.63 1.04 -2.12 0.00 0.00 175.29 176.30 3a0c n GLN 91 N -0.97 0.15 -0.21 2.91 6.02 -1.26 -0.01 117.38 124.01 3a0c n GLN 91 Ca -0.02 0.54 0.07 0.00 -0.01 0.00 0.00 57.00 57.58 3a0c n GLN 91 Cb 0.54 -1.89 0.21 0.00 1.02 0.00 0.00 30.24 30.12 3a0c n GLN 91 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3a0c n ASP 92 N -2.18 2.30 0.00 1.08 5.75 -1.26 -4.57 116.55 117.67 3a0c n ASP 92 Ca 0.00 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 3a0c n ASP 92 Cb 0.11 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 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 0.75 -0.19 -3.18 0.11 0.63 0.99 -5.01 116.66 110.77 3a0c n ARG 93 Ca 0.15 0.05 -0.39 0.00 -0.92 0.00 0.00 57.85 56.74 3a0c n ARG 93 Cb 0.37 -3.45 -0.06 0.00 0.45 0.00 0.00 32.46 29.77 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 -2.45 7.12 -0.30 6.15 2.47 -1.26 -4.81 114.94 121.87 3a0c s ASN 94 Ca 0.00 1.33 -0.09 0.00 0.42 0.00 0.00 52.86 54.52 3a0c s ASN 94 Cb 0.00 -2.40 -0.01 0.00 -1.45 0.00 0.00 41.25 37.39 3a0c s ASN 94 CO 0.00 0.20 0.14 -0.69 -3.72 0.00 0.00 177.10 173.03 3a0c s VAL 95 N -0.81 4.55 0.10 -5.21 1.01 -1.26 -1.79 120.40 116.99 3a0c s VAL 95 Ca 0.32 -0.39 0.09 0.00 0.00 0.00 0.00 61.98 62.00 3a0c s VAL 95 Cb -0.20 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 3a0c s VAL 95 CO 0.20 0.10 -0.24 -0.69 0.00 0.00 0.00 175.10 174.47 3a0c s VAL 96 N 1.61 2.01 -0.21 2.92 1.01 -0.21 -4.93 120.40 122.61 3a0c s VAL 96 Ca 0.05 -1.58 -0.06 0.00 0.00 0.00 0.00 61.98 60.39 3a0c s VAL 96 Cb -0.17 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 3a0c s VAL 96 CO 0.06 0.10 0.02 -0.63 0.00 0.00 0.00 175.10 174.64 3a0c s ILE 97 N -1.02 4.11 0.18 2.22 1.01 -1.26 0.84 121.20 127.28 3a0c s ILE 97 Ca 0.11 -0.26 0.11 0.00 0.00 0.00 0.00 60.65 60.61 3a0c s ILE 97 Cb -0.10 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 3a0c s ILE 97 CO 0.04 0.42 -0.21 -0.31 0.00 0.00 0.00 174.94 174.88 3a0c s TYR 98 N 1.03 2.38 0.00 3.97 1.51 -0.09 -4.97 117.35 121.19 3a0c s TYR 98 Ca 0.02 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.76 3a0c s TYR 98 Cb -0.14 -1.19 0.00 0.00 -0.11 0.00 0.00 41.96 40.51 3a0c s TYR 98 CO 0.02 0.48 0.00 0.41 -1.11 0.00 0.00 175.55 175.35 3a0c n GLY 99 N 0.31 2.70 0.00 0.71 0.00 -1.26 -1.30 105.19 106.35 3a0c n GLY 99 Ca -0.13 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.08 0.65 -2.58 1.61 -0.02 -1.26 -5.07 135.00 127.26 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 -0.22 4.11 -0.16 -1.45 -7.23 -1.15 -4.94 120.40 109.36 3a0c s VAL 101 Ca 0.00 1.75 0.08 0.00 -1.81 0.00 0.00 61.98 62.00 3a0c s VAL 101 Cb 0.00 -4.12 -0.16 0.00 0.56 0.00 0.00 36.38 32.66 3a0c s VAL 101 CO 0.00 0.27 -0.04 0.52 -0.31 0.00 0.00 175.10 175.54 3a0c n VAL 102 N 2.72 1.04 -3.46 1.32 0.31 -1.26 -5.05 118.33 113.95 3a0c n VAL 102 Ca 0.03 -0.53 -0.11 0.00 -0.01 0.00 0.00 64.34 63.72 3a0c n VAL 102 Cb 0.47 -0.85 -0.02 0.00 -0.91 0.00 0.00 33.84 32.53 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 -0.46 0.10 3.52 -0.00 -1.26 -5.18 118.94 113.29 3a0c s TRP 103 Ca -0.15 0.30 -0.20 0.00 -0.00 0.00 0.00 56.10 56.05 3a0c s TRP 103 Cb 0.05 0.55 0.05 0.00 -0.00 0.00 0.00 33.47 34.12 3a0c s TRP 103 CO 0.53 -0.71 0.50 0.00 -0.00 0.00 0.00 176.95 177.27 3a0c s ALA 104 N -3.39 -1.25 -0.07 5.86 0.00 -1.26 -5.05 121.76 116.59 3a0c s ALA 104 Ca 0.02 0.34 0.13 0.00 0.00 0.00 0.00 51.96 52.46 3a0c s ALA 104 Cb -0.01 0.61 -0.07 0.00 0.00 0.00 0.00 23.12 23.65 3a0c s ALA 104 CO -0.11 -0.62 1.19 1.79 0.00 0.00 0.00 175.76 178.01 3a0c h THR 105 N 2.45 0.97 0.00 0.00 1.35 -2.03 -3.47 112.91 112.18 3a0c h THR 105 Ca -0.33 -2.49 0.00 0.00 -0.55 0.00 0.00 66.41 63.05 3a0c h THR 105 Cb 1.25 2.43 0.00 0.00 -1.73 0.00 0.00 68.15 70.10 3a0c h THR 105 CO 0.42 0.55 0.00 0.61 -0.25 0.00 0.00 175.52 176.86 3a0c n GLY 106 N 1.32 0.52 0.00 5.82 0.00 -1.26 -4.89 105.19 106.71 3a0c n GLY 106 Ca -0.03 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 0.35 0.00 -3.45 1.61 3.41 -1.26 -4.79 113.62 109.48 3a0c n SER 107 Ca 0.00 0.23 -0.20 0.00 -0.26 0.00 0.00 58.87 58.64 3a0c n SER 107 Cb 0.00 -0.40 -0.08 0.00 -0.26 0.00 0.00 64.21 63.47 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 -2.80 2.36 0.00 5.00 0.00 -1.26 -5.32 107.32 105.30 3a0c s GLY 108 Ca 0.18 -1.97 0.21 0.00 0.00 0.00 0.00 44.72 43.14 3a0c s GLY 108 CO 0.42 -1.51 1.64 -1.55 0.00 0.00 0.00 173.10 172.10