#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bfi s ASP 2 N 0.00 3.85 -0.02 4.31 1.47 -1.26 -5.02 116.67 120.00 1bfi s ASP 2 Ca 0.00 0.89 -0.17 0.00 1.18 0.00 0.00 52.55 54.45 1bfi s ASP 2 Cb 0.00 -1.44 -0.05 0.00 -0.34 0.00 0.00 42.92 41.09 1bfi s ASP 2 CO 0.00 -2.33 0.48 -0.76 0.68 0.00 0.00 175.17 173.24 1bfi s LEU 3 N -5.87 4.42 0.63 2.11 1.43 -1.26 -4.93 118.68 115.21 1bfi s LEU 3 Ca 0.63 1.00 0.19 0.00 -1.03 0.00 0.00 54.13 54.93 1bfi s LEU 3 Cb -0.13 -2.72 1.06 0.00 0.03 0.00 0.00 46.19 44.42 1bfi s LEU 3 CO 0.52 0.19 1.58 -0.65 0.23 0.00 0.00 176.35 178.22 1bfi h PRO 4 N 5.41 0.00 0.00 1.29 0.11 -1.95 0.22 132.00 137.08 1bfi h PRO 4 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1bfi h PRO 4 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1bfi h PRO 4 CO 0.67 0.00 0.00 0.45 -0.21 0.00 0.00 178.00 178.91 1bfi h HIS 5 N 0.00 0.00 -0.47 0.65 3.86 -1.99 -2.01 115.15 115.19 1bfi h HIS 5 Ca 0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 1bfi h HIS 5 Cb 1.07 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.52 1bfi h HIS 5 CO 0.00 0.00 0.01 0.45 0.86 0.00 0.00 177.93 179.25 1bfi h HIS 6 N 0.00 0.81 -3.31 2.45 3.86 -0.95 -3.41 115.15 114.59 1bfi h HIS 6 Ca 0.00 -0.11 -0.59 0.00 -1.16 0.00 0.00 60.37 58.51 1bfi h HIS 6 Cb 0.22 -0.22 -0.11 0.00 1.06 0.00 0.00 27.41 28.36 1bfi h HIS 6 CO 0.00 0.75 -0.35 -0.51 0.86 0.00 0.00 177.93 178.68 1bfi s ASP 7 N -6.65 6.39 0.25 2.45 1.01 -0.76 -4.97 116.67 114.40 1bfi s ASP 7 Ca -0.09 0.45 0.07 0.00 0.71 0.00 0.00 52.55 53.69 1bfi s ASP 7 Cb 0.15 -2.17 0.29 0.00 1.01 0.00 0.00 42.92 42.20 1bfi s ASP 7 CO 0.81 0.10 1.58 -0.33 0.21 0.00 0.00 175.17 177.53 1bfi h GLU 8 N 6.76 0.11 -0.01 8.23 5.08 -1.83 -2.98 114.58 129.94 1bfi h GLU 8 Ca -0.41 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1bfi h GLU 8 Cb 1.16 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1bfi h GLU 8 CO 0.75 0.70 0.01 1.57 -1.00 0.00 0.00 179.01 181.04 1bfi h LYS 9 N 0.08 0.00 0.00 2.33 2.10 -1.93 5.26 116.57 124.41 1bfi h LYS 9 Ca -0.01 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.57 1bfi h LYS 9 Cb 1.12 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.43 1bfi h LYS 9 CO 0.09 0.00 -0.37 1.79 -2.00 0.00 0.00 179.45 178.96 1bfi h THR 10 N 0.00 1.20 0.00 0.07 1.35 -1.66 -3.36 112.91 110.51 1bfi h THR 10 Ca 0.00 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 1bfi h THR 10 Cb 0.03 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1bfi h THR 10 CO -0.00 0.36 -0.51 -2.67 -0.25 0.00 0.00 175.52 172.45 1bfi n TRP 11 N -4.01 0.00 -2.72 4.73 4.27 -0.54 0.49 117.44 119.66 1bfi n TRP 11 Ca -0.02 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.17 1bfi n TRP 11 Cb 0.41 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.33 1bfi n TRP 11 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 1bfi s ASN 12 N -1.40 7.23 -0.13 -0.67 2.47 1.70 0.32 114.94 124.46 1bfi s ASN 12 Ca 0.00 1.50 0.19 0.00 0.42 0.00 0.00 52.86 54.98 1bfi s ASN 12 Cb 0.00 -2.54 0.44 0.00 -1.45 0.00 0.00 41.25 37.70 1bfi s ASN 12 CO 0.00 -0.42 1.17 0.52 -3.72 0.00 0.00 177.10 174.66 1bfi n VAL 13 N 4.48 1.08 -0.75 -5.21 0.31 0.14 -4.37 118.33 114.01 1bfi n VAL 13 Ca 0.08 -2.27 -0.13 0.00 -0.01 0.00 0.00 64.34 62.00 1bfi n VAL 13 Cb 0.49 0.50 0.05 0.00 -0.91 0.00 0.00 33.84 33.97 1bfi n VAL 13 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bfi n GLY 14 N -0.25 -1.82 2.42 2.92 0.00 -1.20 -3.24 105.19 104.03 1bfi n GLY 14 Ca 0.14 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 1bfi n GLY 14 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bfi n SER 15 N 1.98 -5.53 -4.08 1.61 2.88 -1.26 -4.95 113.62 104.27 1bfi n SER 15 Ca 0.01 0.11 -0.23 0.00 -1.33 0.00 0.00 58.87 57.43 1bfi n SER 15 Cb 0.26 -4.61 -0.16 0.00 -0.75 0.00 0.00 64.21 58.95 1bfi n SER 15 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1bfi s SER 16 N -2.30 1.68 0.76 -3.46 0.01 -1.20 -5.12 113.70 104.08 1bfi s SER 16 Ca 0.00 -0.27 -0.12 0.00 1.31 0.00 0.00 55.95 56.88 1bfi s SER 16 Cb 0.00 -0.38 0.05 0.00 0.21 0.00 0.00 66.02 65.90 1bfi s SER 16 CO 0.00 0.13 1.14 0.54 0.41 0.00 0.00 173.24 175.46 1bfi s ASN 17 N -0.01 4.89 0.38 2.44 2.20 -1.26 -4.67 114.94 118.91 1bfi s ASN 17 Ca -0.01 0.91 0.08 0.00 -0.94 0.00 0.00 52.86 52.90 1bfi s ASN 17 Cb -0.09 -1.53 0.77 0.00 -2.00 0.00 0.00 41.25 38.40 1bfi s ASN 17 CO 0.01 -1.67 1.93 0.03 -2.94 0.00 0.00 177.10 174.45 1bfi h ARG 18 N -0.88 0.32 -0.26 3.55 3.08 -1.97 -2.12 114.38 116.10 1bfi h ARG 18 Ca -0.46 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.51 1bfi h ARG 18 Cb 1.30 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 1bfi h ARG 18 CO 0.65 0.40 0.07 -0.91 -1.07 0.00 0.00 179.97 179.11 1bfi h ASN 19 N 0.31 0.39 -0.83 7.04 -0.26 -2.00 -1.94 115.58 118.28 1bfi h ASN 19 Ca 0.07 -0.22 -0.03 0.00 -0.56 0.00 0.00 56.30 55.56 1bfi h ASN 19 Cb 0.31 -0.10 -0.04 0.00 -1.06 0.00 0.00 38.32 37.43 1bfi h ASN 19 CO 0.01 0.50 0.40 0.50 -1.06 0.00 0.00 177.43 177.79 1bfi h LYS 20 N 0.25 1.20 -0.82 0.81 3.64 -1.86 -2.15 116.57 117.65 1bfi h LYS 20 Ca 0.08 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1bfi h LYS 20 Cb 0.26 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 1bfi h LYS 20 CO -0.00 0.92 0.54 0.00 -2.27 0.00 0.00 179.45 178.64 1bfi h ALA 21 N 1.22 1.42 -0.60 5.00 0.00 -1.09 -0.65 119.26 124.56 1bfi h ALA 21 Ca 0.29 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1bfi h ALA 21 Cb 0.11 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1bfi h ALA 21 CO -0.04 0.53 0.40 1.49 0.00 0.00 0.00 179.25 181.63 1bfi h GLU 22 N 1.11 0.79 -0.79 0.00 4.81 -0.69 1.51 114.58 121.31 1bfi h GLU 22 Ca 0.30 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.46 1bfi h GLU 22 Cb -0.12 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.05 1bfi h GLU 22 CO -0.07 0.52 0.38 -0.91 -0.73 0.00 0.00 179.01 178.20 1bfi h ASN 23 N 0.81 1.03 0.54 1.04 2.35 -1.12 2.08 115.58 122.31 1bfi h ASN 23 Ca 0.22 -0.12 -0.16 0.00 -0.55 0.00 0.00 56.30 55.69 1bfi h ASN 23 Cb -0.09 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.00 1bfi h ASN 23 CO -0.05 0.87 -0.71 -0.07 -1.65 0.00 0.00 177.43 175.83 1bfi h LEU 24 N 1.13 0.17 0.00 1.61 3.38 0.11 -2.82 115.31 118.89 1bfi h LEU 24 Ca 0.27 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1bfi h LEU 24 Cb 0.11 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1bfi h LEU 24 CO -0.03 0.82 -0.48 0.18 0.09 0.00 0.00 178.44 179.01 1bfi n LEU 25 N -3.76 0.48 -4.63 1.67 4.77 0.50 -4.49 117.00 111.54 1bfi n LEU 25 Ca -0.02 0.04 -0.41 0.00 -0.03 0.00 0.00 56.01 55.59 1bfi n LEU 25 Cb 0.69 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 41.46 1bfi n LEU 25 CO 0.45 0.11 0.44 -0.13 -1.33 0.00 0.00 177.39 176.93 1bfi s ARG 26 N -3.01 4.13 0.00 3.23 0.52 0.70 -3.51 118.95 121.01 1bfi s ARG 26 Ca 0.11 0.63 0.00 0.00 -0.52 0.00 0.00 55.73 55.95 1bfi s ARG 26 Cb 0.17 -3.64 0.00 0.00 0.52 0.00 0.00 34.95 32.00 1bfi s ARG 26 CO 0.69 -0.42 0.00 0.41 0.02 0.00 0.00 175.30 176.01 1bfi n GLY 27 N 4.05 0.47 3.86 -3.53 0.00 -1.26 -4.86 105.19 103.92 1bfi n GLY 27 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1bfi n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bfi s LYS 28 N -0.87 3.91 0.47 1.61 -0.14 -1.23 -5.06 119.74 118.43 1bfi s LYS 28 Ca 0.00 0.54 -0.14 0.00 -1.36 0.00 0.00 55.97 55.01 1bfi s LYS 28 Cb 0.00 -2.47 -0.07 0.00 -1.68 0.00 0.00 37.83 33.61 1bfi s LYS 28 CO 0.00 0.16 0.90 1.03 -0.76 0.00 0.00 175.35 176.67 1bfi s ARG 29 N -3.11 3.85 0.33 1.68 1.81 -1.26 -4.97 118.95 117.29 1bfi s ARG 29 Ca 0.52 0.73 -0.28 0.00 -1.72 0.00 0.00 55.73 54.98 1bfi s ARG 29 Cb -0.10 -2.24 -0.13 0.00 -0.45 0.00 0.00 34.95 32.03 1bfi s ARG 29 CO 0.21 -0.19 1.27 -3.47 -0.68 0.00 0.00 175.30 172.44 1bfi n ASP 30 N -1.54 2.63 0.00 0.23 -0.08 -1.26 -1.71 116.55 114.82 1bfi n ASP 30 Ca 0.05 1.20 0.00 0.00 -1.51 0.00 0.00 54.79 54.53 1bfi n ASP 30 Cb 0.54 -1.46 0.00 0.00 2.34 0.00 0.00 41.12 42.54 1bfi n ASP 30 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1bfi n GLY 31 N 0.89 1.91 3.65 0.27 0.00 -1.12 -5.01 105.19 105.77 1bfi n GLY 31 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1bfi n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bfi s THR 32 N -2.48 4.98 0.18 2.61 2.01 -0.69 -1.57 115.64 120.68 1bfi s THR 32 Ca 0.00 1.24 -0.00 0.00 0.31 0.00 0.00 61.69 63.24 1bfi s THR 32 Cb 0.00 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 1bfi s THR 32 CO 0.00 0.05 0.08 0.72 -0.69 0.00 0.00 174.62 174.78 1bfi s PHE 33 N 2.25 1.11 0.05 4.92 -0.71 -0.82 -2.30 117.98 122.48 1bfi s PHE 33 Ca 0.29 -1.25 -0.05 0.00 -1.04 0.00 0.00 56.93 54.88 1bfi s PHE 33 Cb -0.16 -0.60 -0.01 0.00 -1.21 0.00 0.00 43.02 41.04 1bfi s PHE 33 CO 0.09 -0.49 0.09 -0.48 -1.34 0.00 0.00 175.22 173.09 1bfi s LEU 34 N -3.14 1.87 -0.21 -1.99 2.34 0.43 -2.16 118.68 115.82 1bfi s LEU 34 Ca 0.31 -0.62 -0.05 0.00 0.06 0.00 0.00 54.13 53.83 1bfi s LEU 34 Cb 0.07 0.59 -0.03 0.00 -0.56 0.00 0.00 46.19 46.27 1bfi s LEU 34 CO 0.07 -0.55 0.01 -0.69 -1.06 0.00 0.00 176.35 174.13 1bfi s VAL 35 N -2.96 4.02 0.34 1.48 1.01 0.95 -0.70 120.40 124.53 1bfi s VAL 35 Ca -0.02 -0.29 0.07 0.00 0.00 0.00 0.00 61.98 61.74 1bfi s VAL 35 Cb 0.01 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 1bfi s VAL 35 CO -0.06 0.42 0.26 0.00 0.00 0.00 0.00 175.10 175.71 1bfi s ARG 36 N 1.05 1.76 0.33 2.72 1.04 -0.05 0.27 118.95 126.07 1bfi s ARG 36 Ca 0.02 -2.03 0.06 0.00 -1.04 0.00 0.00 55.73 52.74 1bfi s ARG 36 Cb -0.14 0.21 -0.01 0.00 -2.04 0.00 0.00 34.95 32.96 1bfi s ARG 36 CO 0.02 -0.62 0.47 -2.00 -0.04 0.00 0.00 175.30 173.12 1bfi s GLU 37 N -3.50 3.18 0.00 3.89 2.12 -1.26 -0.04 118.70 123.09 1bfi s GLU 37 Ca 0.38 -0.91 0.00 0.00 0.36 0.00 0.00 54.97 54.81 1bfi s GLU 37 Cb 0.02 -2.81 0.00 0.00 0.26 0.00 0.00 34.13 31.61 1bfi s GLU 37 CO 0.26 0.11 1.03 0.43 -0.54 0.00 0.00 175.26 176.54 1bfi n SER 38 N -1.64 2.94 0.00 -1.70 7.64 -1.22 -4.61 113.62 115.04 1bfi n SER 38 Ca -0.02 -1.74 0.00 0.00 1.01 0.00 0.00 58.87 58.12 1bfi n SER 38 Cb 0.58 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 1bfi n SER 38 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1bfi n SER 39 N 0.92 0.00 -4.67 6.43 7.64 -1.26 -4.89 113.62 117.79 1bfi n SER 39 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 1bfi n SER 39 Cb 0.39 -0.79 -0.09 0.00 -1.01 0.00 0.00 64.21 62.72 1bfi n SER 39 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1bfi s LYS 40 N 0.00 4.11 0.18 1.43 2.20 -1.26 -5.03 119.74 121.36 1bfi s LYS 40 Ca 0.00 -0.17 -0.33 0.00 -0.36 0.00 0.00 55.97 55.11 1bfi s LYS 40 Cb 0.00 -3.52 -0.15 0.00 -1.51 0.00 0.00 37.83 32.64 1bfi s LYS 40 CO 0.00 0.07 1.24 0.94 -0.36 0.00 0.00 175.35 177.25 1bfi n GLN 41 N 4.22 1.36 -0.44 4.03 7.27 -1.26 -1.26 117.38 131.30 1bfi n GLN 41 Ca -0.14 0.49 0.00 0.00 0.07 0.00 0.00 57.00 57.42 1bfi n GLN 41 Cb 0.52 -2.04 0.00 0.00 2.41 0.00 0.00 30.24 31.13 1bfi n GLN 41 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1bfi n GLY 42 N 2.14 0.74 3.58 1.69 0.00 -1.26 -5.05 105.19 107.03 1bfi n GLY 42 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1bfi n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bfi s TYR 44 N -1.28 0.95 -0.24 0.00 2.02 0.16 -3.40 117.35 115.56 1bfi s TYR 44 Ca 0.22 -0.52 -0.19 0.00 -0.37 0.00 0.00 57.07 56.21 1bfi s TYR 44 Cb -0.11 -0.54 0.07 0.00 -0.40 0.00 0.00 41.96 40.98 1bfi s TYR 44 CO 0.14 -0.02 0.63 0.00 -1.57 0.00 0.00 175.55 174.74 1bfi s ALA 45 N -1.58 -1.62 -0.27 3.71 0.00 0.95 0.20 121.76 123.15 1bfi s ALA 45 Ca -0.04 1.96 -0.07 0.00 0.00 0.00 0.00 51.96 53.82 1bfi s ALA 45 Cb -0.08 -1.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 1bfi s ALA 45 CO 0.01 -0.32 0.06 0.00 0.00 0.00 0.00 175.76 175.51 1bfi s SER 47 N 1.54 5.93 0.17 0.00 0.01 0.12 -1.03 113.70 120.44 1bfi s SER 47 Ca 0.04 0.23 0.06 0.00 1.31 0.00 0.00 55.95 57.59 1bfi s SER 47 Cb -0.16 -1.96 -0.05 0.00 0.21 0.00 0.00 66.02 64.06 1bfi s SER 47 CO 0.02 0.26 -0.11 0.54 0.41 0.00 0.00 173.24 174.36 1bfi s VAL 48 N -0.15 1.37 -0.10 3.43 0.11 -1.04 -0.43 120.40 123.58 1bfi s VAL 48 Ca 0.09 -2.11 -0.02 0.00 -2.93 0.00 0.00 61.98 57.00 1bfi s VAL 48 Cb -0.12 -1.94 -0.03 0.00 -1.53 0.00 0.00 36.38 32.76 1bfi s VAL 48 CO 0.01 -0.67 -0.03 -0.69 -3.33 0.00 0.00 175.10 170.39 1bfi s VAL 49 N -3.20 4.03 0.14 2.04 1.01 -0.97 -1.40 120.40 122.04 1bfi s VAL 49 Ca 0.19 -0.34 0.10 0.00 0.00 0.00 0.00 61.98 61.94 1bfi s VAL 49 Cb 0.02 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1bfi s VAL 49 CO 0.03 0.57 -0.24 -0.69 0.00 0.00 0.00 175.10 174.77 1bfi s VAL 50 N -0.46 2.12 0.12 2.92 1.01 -0.12 -2.80 120.40 123.19 1bfi s VAL 50 Ca 0.08 -1.79 0.11 0.00 0.00 0.00 0.00 61.98 60.38 1bfi s VAL 50 Cb -0.12 -1.92 0.11 0.00 0.00 0.00 0.00 36.38 34.46 1bfi s VAL 50 CO 0.02 -0.03 1.23 -0.78 0.00 0.00 0.00 175.10 175.54 1bfi h ASP 51 N 3.71 0.00 0.00 3.32 3.58 -1.95 -1.20 116.42 123.88 1bfi h ASP 51 Ca -0.48 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 56.94 1bfi h ASP 51 Cb 1.18 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.23 1bfi h ASP 51 CO 0.42 0.00 -0.80 0.61 -2.88 0.00 0.00 179.24 176.59 1bfi n GLY 52 N -1.27 -0.78 3.83 -0.78 0.00 -1.26 -5.09 105.19 99.84 1bfi n GLY 52 Ca -0.01 -0.22 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 1bfi n GLY 52 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bfi s GLU 53 N -2.51 1.90 0.09 1.61 -1.05 -0.45 -5.14 118.70 113.15 1bfi s GLU 53 Ca -0.22 -1.19 -0.22 0.00 -0.15 0.00 0.00 54.97 53.20 1bfi s GLU 53 Cb 0.03 0.56 -0.07 0.00 -0.44 0.00 0.00 34.13 34.21 1bfi s GLU 53 CO 0.32 -0.89 0.66 0.54 0.95 0.00 0.00 175.26 176.85 1bfi s VAL 54 N -2.63 4.63 0.24 1.83 0.11 -1.26 -0.94 120.40 122.38 1bfi s VAL 54 Ca 0.16 1.42 0.08 0.00 -2.93 0.00 0.00 61.98 60.71 1bfi s VAL 54 Cb -0.04 -4.00 -0.05 0.00 -1.53 0.00 0.00 36.38 30.75 1bfi s VAL 54 CO 0.09 0.51 -0.11 -0.54 -3.33 0.00 0.00 175.10 171.72 1bfi s LYS 55 N -0.93 1.46 -0.58 1.54 3.01 -0.49 -4.96 119.74 118.79 1bfi s LYS 55 Ca 0.32 -1.69 0.04 0.00 -1.01 0.00 0.00 55.97 53.64 1bfi s LYS 55 Cb -0.21 -1.19 0.17 0.00 -1.01 0.00 0.00 37.83 35.59 1bfi s LYS 55 CO 0.22 0.14 0.42 -1.01 0.51 0.00 0.00 175.35 175.63 1bfi s HIS 56 N -2.95 2.49 0.51 3.18 3.76 -1.26 -2.49 115.29 118.54 1bfi s HIS 56 Ca 0.26 -2.90 -0.23 0.00 -0.15 0.00 0.00 55.06 52.04 1bfi s HIS 56 Cb 0.01 -1.93 -0.06 0.00 1.11 0.00 0.00 32.58 31.70 1bfi s HIS 56 CO 0.10 -0.67 1.39 0.00 -0.85 0.00 0.00 174.74 174.71 1bfi s VAL 58 N -1.25 2.73 -0.10 0.00 0.11 -1.26 -1.09 120.40 119.54 1bfi s VAL 58 Ca 0.68 -0.78 0.03 0.00 -2.93 0.00 0.00 61.98 58.98 1bfi s VAL 58 Cb -0.43 -2.12 0.01 0.00 -1.53 0.00 0.00 36.38 32.31 1bfi s VAL 58 CO 0.52 0.54 -0.19 -0.63 -3.33 0.00 0.00 175.10 172.01 1bfi s ILE 59 N 0.30 1.74 -0.21 7.04 1.09 0.53 -4.67 121.20 127.02 1bfi s ILE 59 Ca -0.13 -0.82 -0.01 0.00 -1.10 0.00 0.00 60.65 58.60 1bfi s ILE 59 Cb -0.16 -1.53 0.01 0.00 -1.06 0.00 0.00 42.46 39.71 1bfi s ILE 59 CO 0.07 0.49 -0.11 0.20 -0.10 0.00 0.00 174.94 175.48 1bfi s ASN 60 N 0.61 3.79 -0.50 3.58 0.01 -0.68 0.37 114.94 122.12 1bfi s ASN 60 Ca -0.14 -0.58 -0.28 0.00 -0.71 0.00 0.00 52.86 51.15 1bfi s ASN 60 Cb -0.17 -1.61 0.01 0.00 0.41 0.00 0.00 41.25 39.89 1bfi s ASN 60 CO 0.04 -0.03 1.45 -0.75 -1.51 0.00 0.00 177.10 176.30 1bfi s LYS 61 N 1.37 3.37 0.24 -0.60 2.20 -1.26 0.39 119.74 125.46 1bfi s LYS 61 Ca 0.05 0.68 -0.10 0.00 -0.36 0.00 0.00 55.97 56.24 1bfi s LYS 61 Cb -0.14 -4.10 0.04 0.00 -1.51 0.00 0.00 37.83 32.12 1bfi s LYS 61 CO -0.08 -1.83 0.51 2.41 -0.36 0.00 0.00 175.35 176.00 1bfi n THR 62 N 6.98 0.00 -0.13 3.43 -1.04 -1.26 -4.87 114.28 117.40 1bfi n THR 62 Ca 0.15 -0.61 -0.05 0.00 -2.04 0.00 0.00 64.05 61.50 1bfi n THR 62 Cb 0.49 0.62 0.03 0.00 -1.82 0.00 0.00 70.33 69.65 1bfi n THR 62 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bfi h ALA 63 N 2.00 0.49 -0.84 2.41 0.00 -2.05 -3.32 119.26 117.95 1bfi h ALA 63 Ca -0.21 0.05 -0.33 0.00 0.00 0.00 0.00 54.91 54.42 1bfi h ALA 63 Cb 0.78 0.02 -0.38 0.00 0.00 0.00 0.00 17.79 18.22 1bfi h ALA 63 CO 0.27 -0.24 -1.11 2.41 0.00 0.00 0.00 179.25 180.58 1bfi n THR 64 N -5.01 0.92 0.01 0.00 -1.04 -1.26 -4.86 114.28 103.04 1bfi n THR 64 Ca 0.03 -2.88 0.01 0.00 -2.04 0.00 0.00 64.05 59.16 1bfi n THR 64 Cb 0.15 0.77 -0.01 0.00 -1.82 0.00 0.00 70.33 69.43 1bfi n THR 64 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bfi n GLY 65 N -0.18 0.05 0.41 3.41 0.00 -1.25 -4.63 105.19 103.00 1bfi n GLY 65 Ca 0.07 -0.03 0.17 0.00 0.00 0.00 0.00 46.02 46.24 1bfi n GLY 65 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bfi n TYR 66 N -1.48 0.00 0.00 1.61 4.01 1.28 -1.68 117.16 120.89 1bfi n TYR 66 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1bfi n TYR 66 Cb 0.03 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 38.90 1bfi n TYR 66 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bfi n GLY 67 N -1.52 1.09 3.60 2.72 0.00 -1.26 -2.81 105.19 107.01 1bfi n GLY 67 Ca 0.14 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 1bfi n GLY 67 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1bfi n PHE 68 N 0.00 0.88 -3.71 1.61 3.01 -1.26 -5.00 117.46 112.98 1bfi n PHE 68 Ca 0.00 0.49 -0.12 0.00 1.01 0.00 0.00 57.45 58.83 1bfi n PHE 68 Cb 0.00 -2.17 -0.11 0.00 -0.01 0.00 0.00 39.48 37.19 1bfi n PHE 68 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1bfi s ALA 69 N -1.42 -1.01 0.21 4.37 0.00 -1.26 -4.98 121.76 117.67 1bfi s ALA 69 Ca 0.69 1.36 0.10 0.00 0.00 0.00 0.00 51.96 54.10 1bfi s ALA 69 Cb -0.48 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 1bfi s ALA 69 CO 0.52 -0.23 -0.12 -1.21 0.00 0.00 0.00 175.76 174.72 1bfi s GLU 70 N 0.94 1.95 -0.42 0.00 2.02 -1.26 -5.00 118.70 116.94 1bfi s GLU 70 Ca -0.06 -1.40 -0.39 0.00 0.02 0.00 0.00 54.97 53.14 1bfi s GLU 70 Cb -0.06 -2.06 -0.15 0.00 0.10 0.00 0.00 34.13 31.96 1bfi s GLU 70 CO -0.07 0.41 2.16 -2.30 0.02 0.00 0.00 175.26 175.47 1bfi n PRO 71 N -0.14 0.58 -3.02 0.39 -0.02 -1.26 -3.57 135.00 127.97 1bfi n PRO 71 Ca -0.10 0.16 -0.01 0.00 -2.02 0.00 0.00 63.50 61.53 1bfi n PRO 71 Cb 0.57 -2.02 -0.01 0.00 -0.02 0.00 0.00 33.50 32.02 1bfi n PRO 71 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 1bfi n TYR 72 N 8.75 -0.92 0.00 6.00 4.11 -1.26 -4.83 117.16 129.01 1bfi n TYR 72 Ca 0.48 0.49 0.00 0.00 -0.00 0.00 0.00 57.90 58.87 1bfi n TYR 72 Cb 0.10 -1.63 0.00 0.00 -0.00 0.00 0.00 39.34 37.82 1bfi n TYR 72 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.86 177.13 1bfi n ASN 73 N 1.94 0.00 -1.84 9.48 0.23 -1.23 -4.98 115.26 118.86 1bfi n ASN 73 Ca -0.06 0.00 -0.17 0.00 -0.53 0.00 0.00 54.58 53.82 1bfi n ASN 73 Cb 0.23 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 37.89 1bfi n ASN 73 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1bfi n LEU 74 N 0.00 -1.34 -1.84 -4.53 4.77 -1.26 -4.18 117.00 108.62 1bfi n LEU 74 Ca 0.00 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1bfi n LEU 74 Cb 0.00 -2.45 0.00 0.00 -2.33 0.00 0.00 43.42 38.64 1bfi n LEU 74 CO 0.00 -0.61 -0.22 0.00 -1.33 0.00 0.00 177.39 175.23 1bfi n TYR 75 N -2.71 -2.29 -0.22 -1.77 0.18 -1.26 -4.75 117.16 104.34 1bfi n TYR 75 Ca -0.18 1.38 -0.01 0.00 1.88 0.00 0.00 57.90 60.97 1bfi n TYR 75 Cb 0.59 -2.00 0.20 0.00 -0.38 0.00 0.00 39.34 37.75 1bfi n TYR 75 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 1bfi h SER 76 N 3.74 0.90 -3.92 9.48 4.64 -1.98 -3.44 113.55 122.97 1bfi h SER 76 Ca 0.00 -0.07 -0.48 0.00 -0.47 0.00 0.00 61.79 60.77 1bfi h SER 76 Cb 0.00 -0.23 -0.19 0.00 -0.31 0.00 0.00 62.40 61.67 1bfi h SER 76 CO 0.00 0.72 -0.78 -0.44 -0.87 0.00 0.00 176.83 175.46 1bfi s SER 77 N -6.40 2.32 0.35 4.97 0.01 -1.26 -5.02 113.70 108.67 1bfi s SER 77 Ca -0.11 -0.79 0.02 0.00 1.31 0.00 0.00 55.95 56.38 1bfi s SER 77 Cb 0.17 -0.11 0.63 0.00 0.21 0.00 0.00 66.02 66.92 1bfi s SER 77 CO 0.80 -0.06 2.01 -0.07 0.41 0.00 0.00 173.24 176.33 1bfi h LEU 78 N 3.58 0.73 -0.91 2.44 3.38 -1.94 -1.66 115.31 120.92 1bfi h LEU 78 Ca -0.42 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.55 1bfi h LEU 78 Cb 1.20 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.72 1bfi h LEU 78 CO 0.48 0.53 0.59 0.11 0.09 0.00 0.00 178.44 180.24 1bfi h LYS 79 N 0.86 1.15 -0.46 1.13 1.57 -1.95 -0.46 116.57 118.41 1bfi h LYS 79 Ca 0.23 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1bfi h LYS 79 Cb -0.10 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 31.93 1bfi h LYS 79 CO -0.05 0.76 0.21 0.93 -0.57 0.00 0.00 179.45 180.73 1bfi h GLU 80 N 1.19 0.64 -0.78 3.15 5.08 -1.71 -1.79 114.58 120.37 1bfi h GLU 80 Ca 0.35 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.67 1bfi h GLU 80 Cb -0.07 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.00 1bfi h GLU 80 CO -0.09 0.51 0.48 1.25 -1.00 0.00 0.00 179.01 180.16 1bfi h LEU 81 N 0.64 0.78 -0.64 1.33 6.46 -0.85 0.48 115.31 123.52 1bfi h LEU 81 Ca 0.16 0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.83 1bfi h LEU 81 Cb 0.09 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 39.84 1bfi h LEU 81 CO -0.02 0.53 -0.03 0.58 -0.62 0.00 0.00 178.44 178.88 1bfi h VAL 82 N 0.93 1.26 -0.49 1.05 2.07 -1.08 -2.40 116.25 117.59 1bfi h VAL 82 Ca 0.32 -1.17 -0.08 0.00 0.82 0.00 0.00 66.70 66.58 1bfi h VAL 82 Cb 0.07 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1bfi h VAL 82 CO -0.13 0.42 -0.02 -0.07 0.02 0.00 0.00 177.57 177.79 1bfi h LEU 83 N 0.94 0.87 -0.75 2.57 3.38 -0.70 -2.51 115.31 119.11 1bfi h LEU 83 Ca 0.16 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1bfi h LEU 83 Cb 0.58 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1bfi h LEU 83 CO 0.03 0.98 0.47 0.45 0.09 0.00 0.00 178.44 180.47 1bfi h HIS 84 N 0.74 0.97 0.00 1.13 3.86 0.15 -1.19 115.15 120.81 1bfi h HIS 84 Ca 0.14 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.32 1bfi h HIS 84 Cb 0.54 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 1bfi h HIS 84 CO 0.04 0.63 -0.17 1.88 0.86 0.00 0.00 177.93 181.17 1bfi h TYR 85 N 1.02 0.00 -0.61 2.45 -1.99 -1.33 -0.98 116.97 115.53 1bfi h TYR 85 Ca 0.27 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.94 1bfi h TYR 85 Cb -0.07 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.63 1bfi h TYR 85 CO -0.01 0.17 0.15 0.37 -0.00 0.00 0.00 178.16 178.84 1bfi h GLN 86 N 0.00 0.95 0.00 4.88 4.15 -0.76 -2.63 115.11 121.70 1bfi h GLN 86 Ca -0.00 -0.21 0.00 0.00 0.77 0.00 0.00 58.65 59.21 1bfi h GLN 86 Cb 0.61 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.16 1bfi h GLN 86 CO 0.02 0.85 -1.01 0.72 -1.93 0.00 0.00 178.83 177.48 1bfi n HIS 87 N -4.26 0.92 -3.83 3.99 8.25 -1.00 -4.53 115.22 114.77 1bfi n HIS 87 Ca 0.05 0.27 -0.37 0.00 -0.26 0.00 0.00 57.72 57.41 1bfi n HIS 87 Cb 0.24 -0.93 -0.06 0.00 1.12 0.00 0.00 29.99 30.36 1bfi n HIS 87 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1bfi s THR 88 N -3.36 5.43 -0.11 1.59 2.01 -0.40 -5.07 115.64 115.72 1bfi s THR 88 Ca -0.00 0.24 -0.20 0.00 0.31 0.00 0.00 61.69 62.04 1bfi s THR 88 Cb 0.10 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 1bfi s THR 88 CO 0.79 0.56 0.58 -0.55 -0.69 0.00 0.00 174.62 175.31 1bfi s SER 89 N -1.18 6.79 0.62 3.53 0.15 -1.26 -4.60 113.70 117.74 1bfi s SER 89 Ca 0.18 0.94 0.36 0.00 0.70 0.00 0.00 55.95 58.14 1bfi s SER 89 Cb -0.13 -2.34 2.06 0.00 -1.71 0.00 0.00 66.02 63.90 1bfi s SER 89 CO 0.08 -0.08 2.29 -0.07 1.20 0.00 0.00 173.24 176.66 1bfi h LEU 90 N 6.97 0.00 -0.42 3.45 4.07 -1.16 -3.21 115.31 125.01 1bfi h LEU 90 Ca -0.39 0.00 0.15 0.00 0.08 0.00 0.00 57.88 57.72 1bfi h LEU 90 Cb 1.18 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.87 1bfi h LEU 90 CO 0.76 0.01 0.26 0.55 -1.08 0.00 0.00 178.44 178.94 1bfi n VAL 91 N -3.49 -0.10 -0.75 1.22 3.14 1.90 -4.37 118.33 115.89 1bfi n VAL 91 Ca -0.03 0.62 -0.04 0.00 -2.96 0.00 0.00 64.34 61.93 1bfi n VAL 91 Cb 0.09 -1.01 0.01 0.00 -1.06 0.00 0.00 33.84 31.88 1bfi n VAL 91 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1bfi n GLN 92 N -3.43 -0.19 0.00 1.45 6.02 -1.21 -0.15 117.38 119.87 1bfi n GLN 92 Ca 0.13 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1bfi n GLN 92 Cb 0.49 -1.04 0.00 0.00 1.02 0.00 0.00 30.24 30.72 1bfi n GLN 92 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1bfi n HIS 93 N -3.15 0.00 0.05 1.08 8.25 -1.26 -2.06 115.22 118.13 1bfi n HIS 93 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 1bfi n HIS 93 Cb 0.08 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.22 1bfi n HIS 93 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1bfi n ASN 94 N 11.42 0.00 -2.28 0.41 3.02 -1.26 -4.77 115.26 121.80 1bfi n ASN 94 Ca 0.00 0.26 -0.18 0.00 -0.03 0.00 0.00 54.58 54.62 1bfi n ASN 94 Cb 0.00 -0.27 -0.02 0.00 -0.61 0.00 0.00 39.78 38.88 1bfi n ASN 94 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1bfi n ASP 95 N -1.27 -5.20 -0.15 6.41 -0.08 0.79 -4.76 116.55 112.28 1bfi n ASP 95 Ca 0.01 0.11 0.00 0.00 -1.51 0.00 0.00 54.79 53.40 1bfi n ASP 95 Cb 0.01 -4.40 0.00 0.00 2.34 0.00 0.00 41.12 39.07 1bfi n ASP 95 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1bfi n SER 96 N -1.81 0.00 -3.97 1.67 3.41 -0.93 -4.93 113.62 107.05 1bfi n SER 96 Ca -0.21 -1.26 -0.42 0.00 -0.26 0.00 0.00 58.87 56.72 1bfi n SER 96 Cb 0.65 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1bfi n SER 96 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1bfi n LEU 97 N 0.00 6.27 -4.57 1.04 4.32 -1.22 -4.90 117.00 117.95 1bfi n LEU 97 Ca 0.00 -5.23 -0.40 0.00 -0.02 0.00 0.00 56.01 50.36 1bfi n LEU 97 Cb 0.55 -1.24 -0.03 0.00 -1.62 0.00 0.00 43.42 41.09 1bfi n LEU 97 CO 0.00 1.72 1.58 0.21 -1.22 0.00 0.00 177.39 179.68 1bfi s ASN 98 N -1.82 6.41 0.10 -1.43 3.04 -1.26 0.51 114.94 120.49 1bfi s ASN 98 Ca 0.32 -1.62 -0.25 0.00 0.04 0.00 0.00 52.86 51.34 1bfi s ASN 98 Cb 0.05 -2.57 0.08 0.00 -1.54 0.00 0.00 41.25 37.27 1bfi s ASN 98 CO 0.10 -1.59 0.73 0.54 -3.04 0.00 0.00 177.10 173.84 1bfi s VAL 99 N 5.44 0.00 -0.04 -5.21 0.11 -1.26 -4.63 120.40 114.81 1bfi s VAL 99 Ca 0.51 -0.06 0.02 0.00 -2.93 0.00 0.00 61.98 59.52 1bfi s VAL 99 Cb 0.00 -1.08 0.01 0.00 -1.53 0.00 0.00 36.38 33.78 1bfi s VAL 99 CO -0.04 0.00 -0.10 0.42 -3.33 0.00 0.00 175.10 172.04 1bfi s THR 100 N -3.49 0.92 -0.92 5.04 -4.23 -1.26 -1.29 115.64 110.40 1bfi s THR 100 Ca 0.03 -0.41 -0.23 0.00 -1.18 0.00 0.00 61.69 59.91 1bfi s THR 100 Cb -0.01 -0.84 -0.14 0.00 1.34 0.00 0.00 72.50 72.85 1bfi s THR 100 CO -0.10 0.29 1.92 0.18 -0.54 0.00 0.00 174.62 176.37 1bfi n LEU 101 N 3.50 3.48 -0.00 4.79 4.77 -1.19 -4.29 117.00 128.06 1bfi n LEU 101 Ca -0.20 -2.95 0.02 0.00 -0.03 0.00 0.00 56.01 52.84 1bfi n LEU 101 Cb 0.53 -1.37 -0.02 0.00 -2.33 0.00 0.00 43.42 40.23 1bfi n LEU 101 CO 0.25 -1.11 -0.01 0.00 -1.33 0.00 0.00 177.39 175.18 1bfi n ALA 102 N 10.71 2.47 -4.02 -1.18 0.00 -1.24 -3.90 120.51 123.35 1bfi n ALA 102 Ca 0.47 -0.10 -0.31 0.00 0.00 0.00 0.00 53.44 53.50 1bfi n ALA 102 Cb 0.43 -0.13 -0.15 0.00 0.00 0.00 0.00 19.45 19.60 1bfi n ALA 102 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1bfi s TYR 103 N -1.35 3.49 0.54 0.00 5.04 -0.61 -5.04 117.35 119.42 1bfi s TYR 103 Ca 0.01 -2.71 -0.21 0.00 -2.44 0.00 0.00 57.07 51.72 1bfi s TYR 103 Cb 0.03 -2.53 -0.06 0.00 0.35 0.00 0.00 41.96 39.75 1bfi s TYR 103 CO 0.15 -0.92 1.24 -2.30 -1.34 0.00 0.00 175.55 172.38 1bfi n PRO 104 N 4.34 1.50 0.01 4.97 -0.02 -1.26 -1.94 135.00 142.60 1bfi n PRO 104 Ca -0.02 0.55 -0.06 0.00 -2.02 0.00 0.00 63.50 61.95 1bfi n PRO 104 Cb 0.42 -2.43 0.12 0.00 -0.02 0.00 0.00 33.50 31.59 1bfi n PRO 104 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1bfi h VAL 105 N 1.27 1.30 -1.90 -1.45 3.04 -0.47 -3.29 116.25 114.75 1bfi h VAL 105 Ca -0.50 -1.57 -0.60 0.00 -1.01 0.00 0.00 66.70 63.03 1bfi h VAL 105 Cb 1.32 1.57 -0.42 0.00 -2.01 0.00 0.00 31.29 31.76 1bfi h VAL 105 CO 0.56 0.49 -0.63 -1.22 -1.01 0.00 0.00 177.57 175.76 1bfi n TYR 106 N -4.03 3.71 -1.98 3.17 4.01 0.18 -5.01 117.16 117.21 1bfi n TYR 106 Ca -0.02 -3.52 -0.43 0.00 -0.16 0.00 0.00 57.90 53.78 1bfi n TYR 106 Cb 0.51 -0.31 -0.03 0.00 -0.31 0.00 0.00 39.34 39.21 1bfi n TYR 106 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bfi s ALA 107 N -3.53 3.39 0.30 -0.72 0.00 -1.24 -4.06 121.76 115.90 1bfi s ALA 107 Ca 0.48 0.77 -0.02 0.00 0.00 0.00 0.00 51.96 53.20 1bfi s ALA 107 Cb 0.34 -3.83 0.46 0.00 0.00 0.00 0.00 23.12 20.09 1bfi s ALA 107 CO -0.17 -1.78 1.97 0.37 0.00 0.00 0.00 175.76 176.15 1bfi h GLN 108 N 10.66 1.06 -0.56 0.00 4.15 -1.93 -1.17 115.11 127.33 1bfi h GLN 108 Ca -0.38 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 58.95 1bfi h GLN 108 Cb 1.18 -0.24 -0.03 0.00 0.21 0.00 0.00 27.48 28.61 1bfi h GLN 108 CO 0.97 0.71 0.28 1.96 -1.93 0.00 0.00 178.83 180.82 1bfi h GLN 109 N 1.09 0.80 -0.26 1.69 4.20 -2.03 -2.38 115.11 118.21 1bfi h GLN 109 Ca 0.29 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.81 1bfi h GLN 109 Cb -0.12 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.50 1bfi h GLN 109 CO -0.06 0.65 -0.20 0.00 -0.67 0.00 0.00 178.83 178.55 1bfi h ARG 110 N 0.76 0.48 0.00 1.46 2.47 -1.79 -3.56 114.38 114.19 1bfi h ARG 110 Ca 0.19 -0.16 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1bfi h ARG 110 Cb 0.10 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 1bfi h ARG 110 CO -0.03 0.66 0.00 0.54 0.56 0.00 0.00 179.97 181.70