#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 4.74 0.03 1.62 1.47 -1.26 -5.05 116.67 118.23 1bfi s ASP 2 Ca 0.00 1.40 -0.00 0.00 1.18 0.00 0.00 52.55 55.13 1bfi s ASP 2 Cb 0.00 -2.17 -0.04 0.00 -0.34 0.00 0.00 42.92 40.37 1bfi s ASP 2 CO 0.00 -1.82 0.13 -0.76 0.68 0.00 0.00 175.17 173.40 1bfi s LEU 3 N -5.71 4.10 0.00 2.11 1.02 -1.26 -4.97 118.68 113.97 1bfi s LEU 3 Ca 0.60 0.19 0.08 0.00 0.02 0.00 0.00 54.13 55.02 1bfi s LEU 3 Cb -0.14 -2.56 0.44 0.00 0.02 0.00 0.00 46.19 43.95 1bfi s LEU 3 CO 0.54 0.22 1.03 -0.81 0.02 0.00 0.00 176.35 177.36 1bfi n PRO 4 N 0.75 0.18 0.12 1.29 -0.04 -1.26 -2.55 135.00 133.49 1bfi n PRO 4 Ca -0.10 0.11 0.01 0.00 -0.04 0.00 0.00 63.50 63.49 1bfi n PRO 4 Cb 0.52 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.82 1bfi n PRO 4 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1bfi h HIS 5 N 0.00 0.23 0.00 0.54 3.86 -1.97 -0.88 115.15 116.92 1bfi h HIS 5 Ca 0.00 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1bfi h HIS 5 Cb 0.04 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1bfi h HIS 5 CO 0.00 0.43 0.00 0.45 0.86 0.00 0.00 177.93 179.67 1bfi h HIS 6 N 0.19 0.00 -3.54 2.45 3.86 -1.90 -3.37 115.15 112.84 1bfi h HIS 6 Ca 0.03 0.00 -0.69 0.00 -1.16 0.00 0.00 60.37 58.55 1bfi h HIS 6 Cb 0.52 0.00 -0.19 0.00 1.06 0.00 0.00 27.41 28.80 1bfi h HIS 6 CO 0.01 0.00 -0.22 -0.51 0.86 0.00 0.00 177.93 178.07 1bfi s ASP 7 N -4.84 6.19 0.32 2.45 1.01 -0.34 -4.92 116.67 116.55 1bfi s ASP 7 Ca -0.03 -0.68 0.10 0.00 0.71 0.00 0.00 52.55 52.65 1bfi s ASP 7 Cb 0.11 -2.22 0.54 0.00 1.01 0.00 0.00 42.92 42.36 1bfi s ASP 7 CO 0.36 -0.57 1.73 -0.08 0.21 0.00 0.00 175.17 176.82 1bfi h GLU 8 N 8.72 0.06 0.00 8.23 4.81 -1.83 -2.59 114.58 131.98 1bfi h GLU 8 Ca -0.26 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1bfi h GLU 8 Cb 1.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1bfi h GLU 8 CO 0.79 0.51 0.00 0.36 -0.73 0.00 0.00 179.01 179.94 1bfi n LYS 9 N -3.99 0.06 0.12 1.92 2.85 -1.26 -1.09 118.16 116.77 1bfi n LYS 9 Ca -0.02 0.32 0.06 0.00 -1.05 0.00 0.00 58.31 57.62 1bfi n LYS 9 Cb 0.49 -1.63 0.02 0.00 -0.65 0.00 0.00 35.03 33.26 1bfi n LYS 9 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 1bfi h THR 10 N 0.00 0.36 0.00 0.58 1.35 -1.66 -3.40 112.91 110.15 1bfi h THR 10 Ca 0.00 -1.59 0.00 0.00 -0.55 0.00 0.00 66.41 64.27 1bfi h THR 10 Cb 0.28 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1bfi h THR 10 CO 0.00 0.21 -0.87 -2.67 -0.25 0.00 0.00 175.52 171.93 1bfi n TRP 11 N -2.97 0.00 -2.77 4.73 4.27 -1.14 0.34 117.44 119.90 1bfi n TRP 11 Ca -0.01 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.21 1bfi n TRP 11 Cb 0.67 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.56 1bfi n TRP 11 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1bfi s ASN 12 N -2.43 7.50 -0.01 -0.67 4.22 -0.25 0.16 114.94 123.46 1bfi s ASN 12 Ca 0.00 1.89 0.08 0.00 -2.14 0.00 0.00 52.86 52.69 1bfi s ASN 12 Cb 0.00 -2.59 -0.12 0.00 1.28 0.00 0.00 41.25 39.82 1bfi s ASN 12 CO 0.00 0.05 0.23 0.55 -2.04 0.00 0.00 177.10 175.90 1bfi n VAL 13 N 1.05 0.00 -4.10 3.54 3.14 -0.60 -4.74 118.33 116.62 1bfi n VAL 13 Ca -0.00 -0.23 0.00 0.00 -2.96 0.00 0.00 64.34 61.15 1bfi n VAL 13 Cb 0.48 0.53 0.00 0.00 -1.06 0.00 0.00 33.84 33.79 1bfi n VAL 13 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1bfi n GLY 14 N 1.76 -1.55 3.72 7.55 0.00 -1.26 -4.77 105.19 110.64 1bfi n GLY 14 Ca -0.01 -1.31 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 1bfi n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bfi n SER 15 N 0.07 3.55 -3.58 1.61 3.41 -1.26 -4.63 113.62 112.78 1bfi n SER 15 Ca 0.00 1.13 -0.07 0.00 -0.26 0.00 0.00 58.87 59.67 1bfi n SER 15 Cb 0.00 -1.54 -0.03 0.00 -0.26 0.00 0.00 64.21 62.38 1bfi n SER 15 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1bfi s SER 16 N 0.59 -0.24 0.36 4.04 0.15 -1.26 -5.10 113.70 112.24 1bfi s SER 16 Ca 0.68 0.15 -0.25 0.00 0.70 0.00 0.00 55.95 57.23 1bfi s SER 16 Cb -0.55 0.22 -0.09 0.00 -1.71 0.00 0.00 66.02 63.89 1bfi s SER 16 CO 0.45 -0.31 1.03 0.20 1.20 0.00 0.00 173.24 175.82 1bfi s ASN 17 N -1.65 6.96 0.26 5.45 0.01 -1.26 -4.81 114.94 119.90 1bfi s ASN 17 Ca 0.05 2.03 -0.05 0.00 -0.71 0.00 0.00 52.86 54.18 1bfi s ASN 17 Cb -0.01 -2.59 0.32 0.00 0.41 0.00 0.00 41.25 39.38 1bfi s ASN 17 CO -0.04 -0.35 1.94 0.03 -1.51 0.00 0.00 177.10 177.18 1bfi h ARG 18 N 2.84 1.26 -0.92 -0.60 3.08 -1.94 -2.00 114.38 116.10 1bfi h ARG 18 Ca -0.48 -0.08 0.05 0.00 0.07 0.00 0.00 59.98 59.55 1bfi h ARG 18 Cb 1.21 -0.28 -0.06 0.00 0.08 0.00 0.00 29.97 30.92 1bfi h ARG 18 CO 0.64 0.83 0.60 -0.97 -1.07 0.00 0.00 179.97 180.00 1bfi h ASN 19 N 1.29 0.95 -0.53 7.04 -0.00 -2.01 0.11 115.58 122.43 1bfi h ASN 19 Ca 0.36 0.00 0.05 0.00 -0.00 0.00 0.00 56.30 56.71 1bfi h ASN 19 Cb -0.13 -0.21 -0.03 0.00 -0.00 0.00 0.00 38.32 37.95 1bfi h ASN 19 CO -0.08 0.63 0.36 0.50 -0.00 0.00 0.00 177.43 178.83 1bfi h LYS 20 N 1.09 0.51 -0.51 6.67 1.63 -1.74 0.94 116.57 125.16 1bfi h LYS 20 Ca 0.39 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 60.12 1bfi h LYS 20 Cb 0.13 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.62 1bfi h LYS 20 CO -0.14 0.34 0.19 0.00 -3.45 0.00 0.00 179.45 176.39 1bfi h ALA 21 N 1.70 1.38 -0.19 5.00 0.00 -0.69 -1.84 119.26 124.63 1bfi h ALA 21 Ca 0.23 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1bfi h ALA 21 Cb 0.23 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1bfi h ALA 21 CO -0.06 0.46 -0.06 1.49 0.00 0.00 0.00 179.25 181.09 1bfi h GLU 22 N 0.73 -0.02 -0.58 0.00 4.81 -0.61 2.45 114.58 121.37 1bfi h GLU 22 Ca 0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1bfi h GLU 22 Cb 0.17 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1bfi h GLU 22 CO -0.01 -0.01 0.37 -0.97 -0.73 0.00 0.00 179.01 177.66 1bfi h ASN 23 N -0.02 0.67 0.31 1.04 -1.24 -1.40 2.05 115.58 117.00 1bfi h ASN 23 Ca 0.09 -0.03 -0.07 0.00 0.71 0.00 0.00 56.30 57.00 1bfi h ASN 23 Cb 0.16 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.03 1bfi h ASN 23 CO -0.21 0.50 -0.33 -0.07 -1.29 0.00 0.00 177.43 176.04 1bfi h LEU 24 N 0.78 0.03 -0.44 0.34 3.38 -0.38 -1.96 115.31 117.06 1bfi h LEU 24 Ca 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1bfi h LEU 24 Cb -0.07 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1bfi h LEU 24 CO -0.04 0.36 -0.41 0.18 0.09 0.00 0.00 178.44 178.61 1bfi n LEU 25 N -4.14 1.10 -4.82 1.67 4.77 0.81 -4.69 117.00 111.70 1bfi n LEU 25 Ca -0.02 -0.32 -0.36 0.00 -0.03 0.00 0.00 56.01 55.28 1bfi n LEU 25 Cb 0.38 -0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1bfi n LEU 25 CO 0.39 0.22 -0.18 -0.13 -1.33 0.00 0.00 177.39 176.35 1bfi s ARG 26 N -2.64 3.60 0.00 3.23 0.52 0.68 -4.15 118.95 120.19 1bfi s ARG 26 Ca 0.19 -0.18 0.00 0.00 -0.52 0.00 0.00 55.73 55.22 1bfi s ARG 26 Cb 0.18 -3.22 0.00 0.00 0.52 0.00 0.00 34.95 32.44 1bfi s ARG 26 CO 0.60 0.65 0.00 0.41 0.02 0.00 0.00 175.30 176.98 1bfi n GLY 27 N 2.39 1.05 3.82 -3.53 0.00 -1.26 -4.84 105.19 102.81 1bfi n GLY 27 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.37 3.13 0.73 1.61 1.02 -1.26 -5.10 119.74 119.50 1bfi s LYS 28 Ca 0.00 -0.50 -0.11 0.00 0.02 0.00 0.00 55.97 55.38 1bfi s LYS 28 Cb 0.00 -2.89 0.03 0.00 -0.52 0.00 0.00 37.83 34.45 1bfi s LYS 28 CO 0.00 0.63 1.07 1.03 -0.92 0.00 0.00 175.35 177.16 1bfi s ARG 29 N -2.00 2.61 0.46 1.68 0.52 -1.26 -4.96 118.95 116.00 1bfi s ARG 29 Ca 0.26 0.86 -0.25 0.00 -0.52 0.00 0.00 55.73 56.08 1bfi s ARG 29 Cb -0.12 -1.96 -0.08 0.00 0.52 0.00 0.00 34.95 33.31 1bfi s ARG 29 CO 0.18 -1.30 1.43 -3.47 0.02 0.00 0.00 175.30 172.16 1bfi n ASP 30 N -3.25 3.29 0.00 0.23 2.03 -1.26 -2.70 116.55 114.89 1bfi n ASP 30 Ca 0.07 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.49 1bfi n ASP 30 Cb 0.54 -1.61 0.00 0.00 -0.72 0.00 0.00 41.12 39.34 1bfi n ASP 30 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bfi n GLY 31 N 0.59 2.57 3.67 0.27 0.00 -0.91 -5.02 105.19 106.36 1bfi n GLY 31 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.47 4.63 0.31 2.61 2.01 -1.10 -2.76 115.64 118.86 1bfi s THR 32 Ca 0.00 1.93 0.03 0.00 0.31 0.00 0.00 61.69 63.96 1bfi s THR 32 Cb 0.00 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 1bfi s THR 32 CO 0.00 -0.09 0.14 0.72 -0.69 0.00 0.00 174.62 174.69 1bfi s PHE 33 N 2.71 1.64 0.10 4.92 -0.71 -0.75 -2.35 117.98 123.54 1bfi s PHE 33 Ca 0.48 -1.29 -0.12 0.00 -1.04 0.00 0.00 56.93 54.96 1bfi s PHE 33 Cb -0.18 -0.94 0.01 0.00 -1.21 0.00 0.00 43.02 40.71 1bfi s PHE 33 CO 0.13 -0.42 0.28 -0.48 -1.34 0.00 0.00 175.22 173.39 1bfi s LEU 34 N -3.40 1.00 -0.17 -1.99 2.34 0.18 -1.41 118.68 115.23 1bfi s LEU 34 Ca 0.35 -0.50 -0.03 0.00 0.06 0.00 0.00 54.13 54.00 1bfi s LEU 34 Cb 0.06 1.37 -0.02 0.00 -0.56 0.00 0.00 46.19 47.03 1bfi s LEU 34 CO 0.16 -0.78 -0.05 -0.69 -1.06 0.00 0.00 176.35 173.94 1bfi s VAL 35 N -3.80 3.69 0.21 1.48 1.01 0.42 -0.65 120.40 122.77 1bfi s VAL 35 Ca 0.04 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.61 1bfi s VAL 35 Cb 0.03 -2.62 -0.00 0.00 0.00 0.00 0.00 36.38 33.79 1bfi s VAL 35 CO -0.11 0.48 0.25 -2.11 0.00 0.00 0.00 175.10 173.60 1bfi n ARG 36 N 3.82 0.36 -3.33 2.72 1.85 0.22 -1.56 116.66 120.73 1bfi n ARG 36 Ca -0.18 -1.82 -0.19 0.00 -1.00 0.00 0.00 57.85 54.66 1bfi n ARG 36 Cb 0.52 1.64 -0.01 0.00 -1.05 0.00 0.00 32.46 33.56 1bfi n ARG 36 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1bfi s GLU 37 N -2.62 2.67 0.00 2.89 2.02 -1.26 0.22 118.70 122.64 1bfi s GLU 37 Ca 0.20 -1.40 0.00 0.00 0.02 0.00 0.00 54.97 53.79 1bfi s GLU 37 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 34.13 31.68 1bfi s GLU 37 CO 0.14 -0.21 0.71 -1.13 0.02 0.00 0.00 175.26 174.79 1bfi n SER 38 N -1.67 0.17 0.00 -0.19 3.41 -1.25 -4.56 113.62 109.53 1bfi n SER 38 Ca 0.05 -1.58 0.00 0.00 -0.26 0.00 0.00 58.87 57.09 1bfi n SER 38 Cb 0.60 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1bfi n SER 38 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1bfi n SER 39 N -0.37 0.00 -4.81 4.04 3.41 -1.26 -4.99 113.62 109.63 1bfi n SER 39 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 1bfi n SER 39 Cb 0.04 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.93 1bfi n SER 39 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1bfi s LYS 40 N -0.99 4.26 0.35 4.33 2.20 -1.26 -4.96 119.74 123.68 1bfi s LYS 40 Ca 0.00 0.82 0.03 0.00 -0.36 0.00 0.00 55.97 56.46 1bfi s LYS 40 Cb 0.00 -3.14 0.65 0.00 -1.51 0.00 0.00 37.83 33.82 1bfi s LYS 40 CO 0.00 0.56 2.00 0.37 -0.36 0.00 0.00 175.35 177.93 1bfi h GLN 41 N 4.17 0.79 -1.07 4.03 5.75 -1.99 -2.18 115.11 124.61 1bfi h GLN 41 Ca -0.49 -0.06 -0.38 0.00 -0.15 0.00 0.00 58.65 57.58 1bfi h GLN 41 Cb 1.21 -0.17 -0.21 0.00 1.07 0.00 0.00 27.48 29.37 1bfi h GLN 41 CO 0.65 0.54 0.49 0.41 -2.65 0.00 0.00 178.83 178.26 1bfi n GLY 42 N -1.39 3.96 3.03 2.39 0.00 -1.26 -4.90 105.19 107.01 1bfi n GLY 42 Ca 0.06 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.35 1.48 -0.28 0.00 2.02 -1.10 -3.75 117.35 114.37 1bfi s TYR 44 Ca -0.12 -0.32 -0.19 0.00 -0.37 0.00 0.00 57.07 56.07 1bfi s TYR 44 Cb -0.10 -0.91 0.08 0.00 -0.40 0.00 0.00 41.96 40.63 1bfi s TYR 44 CO -0.00 0.02 0.71 0.00 -1.57 0.00 0.00 175.55 174.71 1bfi s ALA 45 N -0.63 -1.86 -0.13 3.71 0.00 0.61 0.16 121.76 123.62 1bfi s ALA 45 Ca 0.05 2.28 -0.04 0.00 0.00 0.00 0.00 51.96 54.26 1bfi s ALA 45 Cb -0.07 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 1bfi s ALA 45 CO 0.01 -0.36 0.01 0.00 0.00 0.00 0.00 175.76 175.42 1bfi s SER 47 N -0.29 5.58 0.09 0.00 0.01 0.18 0.49 113.70 119.75 1bfi s SER 47 Ca 0.07 0.21 0.04 0.00 1.31 0.00 0.00 55.95 57.58 1bfi s SER 47 Cb -0.12 -1.71 -0.03 0.00 0.21 0.00 0.00 66.02 64.37 1bfi s SER 47 CO 0.02 0.35 -0.12 -0.69 0.41 0.00 0.00 173.24 173.21 1bfi s VAL 48 N -0.70 1.02 -0.26 3.43 1.01 -0.64 -0.65 120.40 123.61 1bfi s VAL 48 Ca 0.12 -1.49 -0.10 0.00 0.00 0.00 0.00 61.98 60.51 1bfi s VAL 48 Cb -0.12 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 1bfi s VAL 48 CO 0.02 -0.41 0.16 -0.69 0.00 0.00 0.00 175.10 174.19 1bfi s VAL 49 N -1.90 5.22 0.30 2.92 1.01 -0.99 0.72 120.40 127.67 1bfi s VAL 49 Ca 0.02 0.13 -0.20 0.00 0.00 0.00 0.00 61.98 61.94 1bfi s VAL 49 Cb -0.06 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.89 1bfi s VAL 49 CO 0.01 0.30 0.76 0.54 0.00 0.00 0.00 175.10 176.71 1bfi s VAL 50 N 1.46 0.00 -0.93 2.92 0.11 -0.14 -2.14 120.40 121.68 1bfi s VAL 50 Ca 0.07 -0.98 0.00 0.00 -2.93 0.00 0.00 61.98 58.14 1bfi s VAL 50 Cb -0.15 -2.24 0.00 0.00 -1.53 0.00 0.00 36.38 32.46 1bfi s VAL 50 CO 0.08 0.00 0.00 -0.67 -3.33 0.00 0.00 175.10 171.18 1bfi n ASP 51 N -0.72 -2.37 -0.00 3.54 -0.08 -1.25 0.19 116.55 115.85 1bfi n ASP 51 Ca -0.05 0.22 -0.00 0.00 -1.51 0.00 0.00 54.79 53.45 1bfi n ASP 51 Cb 0.59 -2.36 -0.00 0.00 2.34 0.00 0.00 41.12 41.69 1bfi n ASP 51 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1bfi n GLY 52 N -0.19 0.48 3.07 0.27 0.00 -1.26 -5.01 105.19 102.54 1bfi n GLY 52 Ca -0.09 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.22 0.55 0.29 1.61 -1.05 0.51 -5.14 118.70 115.25 1bfi s GLU 53 Ca 0.00 -1.09 -0.28 0.00 -0.15 0.00 0.00 54.97 53.45 1bfi s GLU 53 Cb 0.00 0.19 -0.09 0.00 -0.44 0.00 0.00 34.13 33.78 1bfi s GLU 53 CO 0.00 -0.10 0.97 0.08 0.95 0.00 0.00 175.26 177.17 1bfi s VAL 54 N -3.39 4.01 0.18 1.83 1.01 -1.26 -0.97 120.40 121.82 1bfi s VAL 54 Ca 0.02 1.85 0.11 0.00 0.00 0.00 0.00 61.98 63.97 1bfi s VAL 54 Cb 0.04 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1bfi s VAL 54 CO -0.08 0.31 -0.24 -0.54 0.00 0.00 0.00 175.10 174.55 1bfi s LYS 55 N -1.64 1.52 -0.58 2.72 3.01 0.22 -4.91 119.74 120.08 1bfi s LYS 55 Ca 0.46 -1.49 0.06 0.00 -1.01 0.00 0.00 55.97 53.99 1bfi s LYS 55 Cb -0.24 -1.86 0.21 0.00 -1.01 0.00 0.00 37.83 34.93 1bfi s LYS 55 CO 0.30 0.41 0.56 0.72 0.51 0.00 0.00 175.35 177.84 1bfi n HIS 56 N 0.36 2.03 -2.06 3.18 8.25 -1.26 -1.62 115.22 124.10 1bfi n HIS 56 Ca -0.13 -3.96 -0.41 0.00 -0.26 0.00 0.00 57.72 52.96 1bfi n HIS 56 Cb 0.55 -0.40 -0.02 0.00 1.12 0.00 0.00 29.99 31.24 1bfi n HIS 56 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bfi s VAL 58 N -0.88 4.86 -0.11 0.00 1.01 -1.26 0.40 120.40 124.42 1bfi s VAL 58 Ca 0.52 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.49 1bfi s VAL 58 Cb -0.41 -3.08 -0.00 0.00 0.00 0.00 0.00 36.38 32.89 1bfi s VAL 58 CO 0.52 0.61 -0.21 -0.63 0.00 0.00 0.00 175.10 175.39 1bfi s ILE 59 N -0.94 2.32 -0.09 2.22 1.01 0.41 -4.74 121.20 121.39 1bfi s ILE 59 Ca 0.14 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.87 1bfi s ILE 59 Cb -0.12 -1.91 0.02 0.00 0.01 0.00 0.00 42.46 40.46 1bfi s ILE 59 CO 0.03 0.55 -0.09 0.20 0.00 0.00 0.00 174.94 175.63 1bfi s ASN 60 N 0.34 1.99 -0.21 3.58 0.01 -1.13 -2.70 114.94 116.83 1bfi s ASN 60 Ca -0.17 -0.29 -0.05 0.00 -0.71 0.00 0.00 52.86 51.64 1bfi s ASN 60 Cb -0.17 -0.82 -0.02 0.00 0.41 0.00 0.00 41.25 40.65 1bfi s ASN 60 CO 0.08 -0.07 -0.01 -1.59 -1.51 0.00 0.00 177.10 174.00 1bfi s LYS 61 N 1.33 3.55 -0.33 -0.60 -2.85 -1.26 0.95 119.74 120.53 1bfi s LYS 61 Ca -0.02 -0.55 -0.00 0.00 -1.00 0.00 0.00 55.97 54.40 1bfi s LYS 61 Cb -0.14 -3.06 0.11 0.00 -2.06 0.00 0.00 37.83 32.68 1bfi s LYS 61 CO -0.04 -0.04 0.13 0.99 0.10 0.00 0.00 175.35 176.48 1bfi s THR 62 N 1.13 0.90 0.00 3.79 2.01 -1.20 -4.81 115.64 117.46 1bfi s THR 62 Ca 0.02 -1.59 0.00 0.00 0.31 0.00 0.00 61.69 60.43 1bfi s THR 62 Cb -0.14 -1.67 0.00 0.00 0.01 0.00 0.00 72.50 70.69 1bfi s THR 62 CO 0.01 -0.73 0.00 0.00 -0.69 0.00 0.00 174.62 173.21 1bfi n ALA 63 N 4.60 0.00 -1.00 7.40 0.00 -1.26 0.16 120.51 130.40 1bfi n ALA 63 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1bfi n ALA 63 Cb 0.40 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.09 1bfi n ALA 63 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1bfi n THR 64 N 0.00 2.20 -2.73 0.00 -2.24 -1.26 -5.01 114.28 105.24 1bfi n THR 64 Ca 0.00 -1.95 -0.21 0.00 -2.27 0.00 0.00 64.05 59.61 1bfi n THR 64 Cb 0.00 -0.25 0.07 0.00 -2.10 0.00 0.00 70.33 68.05 1bfi n THR 64 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1bfi s GLY 65 N -2.12 1.79 0.00 3.38 0.00 0.42 -5.02 107.32 105.76 1bfi s GLY 65 Ca 0.40 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 43.42 1bfi s GLY 65 CO 0.08 -1.26 0.00 -1.72 0.00 0.00 0.00 173.10 170.19 1bfi n TYR 66 N -2.49 -0.18 -0.03 1.90 4.01 0.27 -3.27 117.16 117.35 1bfi n TYR 66 Ca 0.13 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.73 1bfi n TYR 66 Cb 0.60 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.52 1bfi n TYR 66 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1bfi h GLY 67 N 0.00 -0.02 -6.14 2.72 0.00 -1.82 -2.98 103.07 94.83 1bfi h GLY 67 Ca 0.00 0.01 -0.66 0.00 0.00 0.00 0.00 47.33 46.68 1bfi h GLY 67 CO 0.00 -0.01 -0.75 -1.36 0.00 0.00 0.00 176.54 174.42 1bfi s PHE 68 N -3.24 2.88 0.00 5.60 0.40 -1.26 -4.62 117.98 117.74 1bfi s PHE 68 Ca -0.17 -0.81 0.00 0.00 -0.60 0.00 0.00 56.93 55.35 1bfi s PHE 68 Cb -0.01 -1.96 0.00 0.00 0.51 0.00 0.00 43.02 41.56 1bfi s PHE 68 CO 0.66 -0.38 0.37 0.00 0.70 0.00 0.00 175.22 176.56 1bfi n ALA 69 N 4.12 1.71 -0.19 5.36 0.00 -1.26 -4.75 120.51 125.50 1bfi n ALA 69 Ca -0.18 -0.37 -0.03 0.00 0.00 0.00 0.00 53.44 52.85 1bfi n ALA 69 Cb 0.52 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.12 1bfi n ALA 69 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1bfi h GLU 70 N 0.00 0.96 -7.03 0.00 4.81 -2.00 -3.43 114.58 107.90 1bfi h GLU 70 Ca 0.00 -0.17 -0.50 0.00 -0.13 0.00 0.00 59.36 58.56 1bfi h GLU 70 Cb 0.18 -0.16 0.04 0.00 0.63 0.00 0.00 28.75 29.44 1bfi h GLU 70 CO 0.00 0.81 0.19 -1.25 -0.73 0.00 0.00 179.01 178.03 1bfi s PRO 71 N -5.39 3.60 -1.41 0.92 0.04 -1.26 -4.96 135.00 126.54 1bfi s PRO 71 Ca -0.11 0.39 -0.07 0.00 0.04 0.00 0.00 61.00 61.25 1bfi s PRO 71 Cb 0.16 -2.30 0.05 0.00 0.04 0.00 0.00 34.50 32.45 1bfi s PRO 71 CO 0.81 -0.27 2.59 0.98 0.04 0.00 0.00 177.00 181.15 1bfi n TYR 72 N -2.21 2.52 -0.11 0.56 9.36 -1.26 -4.43 117.16 121.58 1bfi n TYR 72 Ca 0.02 -2.90 -0.23 0.00 3.32 0.00 0.00 57.90 58.12 1bfi n TYR 72 Cb 0.55 -2.04 -0.08 0.00 -0.63 0.00 0.00 39.34 37.13 1bfi n TYR 72 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1bfi n ASN 73 N 2.31 1.67 -3.28 2.98 4.05 -1.26 -5.04 115.26 116.68 1bfi n ASN 73 Ca 0.68 0.22 -0.09 0.00 0.45 0.00 0.00 54.58 55.84 1bfi n ASN 73 Cb 0.25 -0.61 0.01 0.00 1.23 0.00 0.00 39.78 40.66 1bfi n ASN 73 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1bfi n LEU 74 N -3.88 -5.34 -4.66 1.20 4.77 -1.26 -4.77 117.00 103.06 1bfi n LEU 74 Ca -0.43 -0.38 -0.49 0.00 -0.03 0.00 0.00 56.01 54.68 1bfi n LEU 74 Cb 0.82 -2.87 -0.05 0.00 -2.33 0.00 0.00 43.42 38.99 1bfi n LEU 74 CO 0.05 -0.59 1.20 -1.22 -1.33 0.00 0.00 177.39 175.50 1bfi n TYR 75 N -2.24 2.11 0.02 -1.77 4.01 -1.26 -4.86 117.16 113.17 1bfi n TYR 75 Ca -0.08 0.31 -0.10 0.00 -0.16 0.00 0.00 57.90 57.86 1bfi n TYR 75 Cb 0.56 -2.52 0.04 0.00 -0.31 0.00 0.00 39.34 37.11 1bfi n TYR 75 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1bfi h SER 76 N 6.41 0.59 -5.17 7.72 0.02 -1.98 -3.46 113.55 117.68 1bfi h SER 76 Ca -0.46 -0.35 -0.11 0.00 -0.84 0.00 0.00 61.79 60.03 1bfi h SER 76 Cb 1.28 -0.17 -0.15 0.00 0.14 0.00 0.00 62.40 63.50 1bfi h SER 76 CO 0.88 1.07 -0.55 -0.94 -1.14 0.00 0.00 176.83 176.16 1bfi s SER 77 N -6.96 0.30 0.38 3.07 1.04 -1.26 -5.04 113.70 105.23 1bfi s SER 77 Ca -0.07 -0.77 0.05 0.00 0.48 0.00 0.00 55.95 55.63 1bfi s SER 77 Cb 0.11 0.25 0.74 0.00 0.10 0.00 0.00 66.02 67.22 1bfi s SER 77 CO 0.84 -0.62 2.03 -0.07 0.98 0.00 0.00 173.24 176.41 1bfi h LEU 78 N 3.16 0.61 -0.93 2.42 3.38 -2.00 -1.91 115.31 120.04 1bfi h LEU 78 Ca -0.34 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 57.68 1bfi h LEU 78 Cb 1.17 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.71 1bfi h LEU 78 CO 0.59 0.44 0.59 0.50 0.09 0.00 0.00 178.44 180.65 1bfi h LYS 79 N 0.72 1.06 -0.18 1.13 3.64 -1.96 -0.63 116.57 120.35 1bfi h LYS 79 Ca 0.20 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.38 1bfi h LYS 79 Cb -0.07 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.50 1bfi h LYS 79 CO -0.04 0.70 -0.45 1.49 -2.27 0.00 0.00 179.45 178.88 1bfi h GLU 80 N 1.09 0.44 -0.07 1.90 4.81 -1.77 -2.69 114.58 118.29 1bfi h GLU 80 Ca 0.40 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1bfi h GLU 80 Cb 0.15 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 1bfi h GLU 80 CO -0.17 0.80 0.04 1.25 -0.73 0.00 0.00 179.01 180.21 1bfi h LEU 81 N 0.36 0.08 -0.85 1.64 7.12 -0.78 0.20 115.31 123.09 1bfi h LEU 81 Ca 0.02 -0.03 -0.08 0.00 0.13 0.00 0.00 57.88 57.92 1bfi h LEU 81 Cb 0.93 -0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 41.02 1bfi h LEU 81 CO 0.08 0.09 -0.01 1.62 -0.13 0.00 0.00 178.44 180.09 1bfi h VAL 82 N 0.07 1.25 -0.20 1.05 3.04 -1.39 -2.48 116.25 117.59 1bfi h VAL 82 Ca 0.02 -1.05 -0.06 0.00 -1.01 0.00 0.00 66.70 64.61 1bfi h VAL 82 Cb 0.02 0.87 -0.00 0.00 -2.01 0.00 0.00 31.29 30.17 1bfi h VAL 82 CO -0.00 0.37 -0.11 0.25 -1.01 0.00 0.00 177.57 177.07 1bfi h LEU 83 N 0.79 0.44 -0.89 3.16 5.85 -1.13 -2.47 115.31 121.06 1bfi h LEU 83 Ca 0.15 -0.42 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 1bfi h LEU 83 Cb 0.48 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1bfi h LEU 83 CO 0.02 0.76 0.47 -0.74 -0.34 0.00 0.00 178.44 178.61 1bfi h HIS 84 N 0.12 1.24 0.00 1.25 2.76 -0.52 -2.18 115.15 117.83 1bfi h HIS 84 Ca 0.04 -0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 58.12 1bfi h HIS 84 Cb 0.60 -0.39 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 1bfi h HIS 84 CO 0.07 0.87 -0.24 1.88 -1.30 0.00 0.00 177.93 179.21 1bfi h TYR 85 N 1.25 0.00 0.00 5.26 -1.99 -1.42 -1.97 116.97 118.11 1bfi h TYR 85 Ca 0.31 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.04 1bfi h TYR 85 Cb 0.06 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.79 1bfi h TYR 85 CO 0.01 0.24 -0.02 0.37 -0.00 0.00 0.00 178.16 178.75 1bfi h GLN 86 N 0.00 0.00 0.00 4.88 5.75 -0.90 -2.53 115.11 122.31 1bfi h GLN 86 Ca -0.00 0.00 -0.35 0.00 -0.15 0.00 0.00 58.65 58.15 1bfi h GLN 86 Cb 0.73 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.22 1bfi h GLN 86 CO 0.03 0.02 -2.31 1.58 -2.65 0.00 0.00 178.83 175.50 1bfi n HIS 87 N -3.48 0.00 -2.91 3.99 -0.00 -0.96 -4.41 115.22 107.45 1bfi n HIS 87 Ca -0.03 0.00 -0.38 0.00 0.46 0.00 0.00 57.72 57.78 1bfi n HIS 87 Cb 0.12 -0.92 -0.06 0.00 -0.12 0.00 0.00 29.99 29.01 1bfi n HIS 87 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 1bfi s THR 88 N -2.46 4.32 -0.17 3.57 2.01 -0.78 -5.01 115.64 117.13 1bfi s THR 88 Ca -0.18 1.69 -0.13 0.00 0.31 0.00 0.00 61.69 63.38 1bfi s THR 88 Cb 0.07 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.48 1bfi s THR 88 CO 0.68 0.31 0.27 -0.44 -0.69 0.00 0.00 174.62 174.76 1bfi s SER 89 N -1.44 6.40 0.15 3.53 0.01 -1.26 -4.43 113.70 116.66 1bfi s SER 89 Ca 0.43 0.47 0.16 0.00 1.31 0.00 0.00 55.95 58.32 1bfi s SER 89 Cb -0.20 -2.17 0.72 0.00 0.21 0.00 0.00 66.02 64.58 1bfi s SER 89 CO 0.25 0.11 1.49 0.18 0.41 0.00 0.00 173.24 175.67 1bfi n LEU 90 N 3.59 0.33 0.00 2.44 4.77 -0.28 -4.30 117.00 123.55 1bfi n LEU 90 Ca -0.12 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1bfi n LEU 90 Cb 0.52 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1bfi n LEU 90 CO 0.39 -0.56 0.00 0.55 -1.33 0.00 0.00 177.39 176.45 1bfi n VAL 91 N -1.89 0.00 -1.07 4.08 3.14 2.01 -4.40 118.33 120.20 1bfi n VAL 91 Ca 0.01 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.05 1bfi n VAL 91 Cb 0.12 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 32.90 1bfi n VAL 91 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 1bfi n GLN 92 N -1.85 0.00 0.00 1.45 7.27 -1.26 -2.39 117.38 120.60 1bfi n GLN 92 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1bfi n GLN 92 Cb 0.00 -0.82 0.00 0.00 2.41 0.00 0.00 30.24 31.83 1bfi n GLN 92 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 1bfi n HIS 93 N -0.80 0.00 1.02 3.69 -0.00 -1.26 -4.37 115.22 113.50 1bfi n HIS 93 Ca 0.09 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.27 1bfi n HIS 93 Cb 0.32 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.19 1bfi n HIS 93 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1bfi n ASN 94 N 0.00 0.20 0.00 0.26 5.03 -1.26 -4.75 115.26 114.74 1bfi n ASN 94 Ca 0.00 -1.22 0.00 0.00 0.87 0.00 0.00 54.58 54.23 1bfi n ASN 94 Cb 0.00 -0.10 0.00 0.00 -1.02 0.00 0.00 39.78 38.66 1bfi n ASN 94 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1bfi n ASP 95 N -0.27 -2.11 -0.25 6.41 8.00 -1.01 -4.67 116.55 122.66 1bfi n ASP 95 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.52 1bfi n ASP 95 Cb 0.05 -2.55 0.05 0.00 -0.02 0.00 0.00 41.12 38.65 1bfi n ASP 95 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1bfi n SER 96 N -0.33 2.17 -1.08 -2.24 7.64 -1.23 -4.54 113.62 114.01 1bfi n SER 96 Ca 0.00 -1.83 -0.03 0.00 1.01 0.00 0.00 58.87 58.02 1bfi n SER 96 Cb 0.16 -0.08 0.05 0.00 -1.01 0.00 0.00 64.21 63.34 1bfi n SER 96 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1bfi n LEU 97 N -0.01 3.12 -4.15 -3.43 7.99 -1.15 -3.86 117.00 115.52 1bfi n LEU 97 Ca 0.04 -1.60 -0.39 0.00 -0.01 0.00 0.00 56.01 54.05 1bfi n LEU 97 Cb 0.28 -0.56 -0.03 0.00 -0.11 0.00 0.00 43.42 43.00 1bfi n LEU 97 CO 0.03 0.51 2.08 -3.20 -1.51 0.00 0.00 177.39 175.30 1bfi n ASN 98 N 0.15 3.68 -3.84 -1.43 4.05 -1.26 0.52 115.26 117.14 1bfi n ASN 98 Ca 0.10 -2.79 -0.10 0.00 0.45 0.00 0.00 54.58 52.24 1bfi n ASN 98 Cb 0.63 -1.58 -0.07 0.00 1.23 0.00 0.00 39.78 39.99 1bfi n ASN 98 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1bfi s VAL 99 N 5.75 0.13 0.22 3.44 0.11 -1.26 -4.79 120.40 123.99 1bfi s VAL 99 Ca 0.56 -1.03 0.09 0.00 -2.93 0.00 0.00 61.98 58.67 1bfi s VAL 99 Cb 0.08 -1.17 -0.05 0.00 -1.53 0.00 0.00 36.38 33.71 1bfi s VAL 99 CO 0.06 -0.57 -0.16 0.42 -3.33 0.00 0.00 175.10 171.52 1bfi s THR 100 N -3.38 1.89 -1.45 5.04 -4.23 -1.26 -1.13 115.64 111.12 1bfi s THR 100 Ca 0.01 -2.22 -0.14 0.00 -1.18 0.00 0.00 61.69 58.16 1bfi s THR 100 Cb 0.03 -2.08 0.04 0.00 1.34 0.00 0.00 72.50 71.83 1bfi s THR 100 CO -0.08 -0.53 2.21 0.18 -0.54 0.00 0.00 174.62 175.86 1bfi n LEU 101 N -0.36 6.80 -0.05 4.79 4.77 -1.19 -4.51 117.00 127.25 1bfi n LEU 101 Ca -0.08 -4.13 -0.04 0.00 -0.03 0.00 0.00 56.01 51.73 1bfi n LEU 101 Cb 0.60 -1.66 -0.14 0.00 -2.33 0.00 0.00 43.42 39.88 1bfi n LEU 101 CO 0.35 1.08 -0.82 0.00 -1.33 0.00 0.00 177.39 176.66 1bfi n ALA 102 N 6.18 1.83 -3.64 -1.18 0.00 -1.25 -4.32 120.51 118.13 1bfi n ALA 102 Ca 0.52 -0.95 -0.35 0.00 0.00 0.00 0.00 53.44 52.66 1bfi n ALA 102 Cb 0.39 -0.53 -0.13 0.00 0.00 0.00 0.00 19.45 19.18 1bfi n ALA 102 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1bfi s TYR 103 N -2.79 3.34 0.51 0.00 2.02 -1.11 -5.02 117.35 114.30 1bfi s TYR 103 Ca -0.07 -1.96 -0.23 0.00 -0.37 0.00 0.00 57.07 54.44 1bfi s TYR 103 Cb 0.08 -2.35 -0.06 0.00 -0.40 0.00 0.00 41.96 39.23 1bfi s TYR 103 CO 0.84 -0.83 1.38 -2.30 -1.57 0.00 0.00 175.55 173.07 1bfi n PRO 104 N 4.63 1.88 0.11 -1.71 -0.02 -1.26 -1.81 135.00 136.81 1bfi n PRO 104 Ca -0.11 0.68 -0.02 0.00 -2.02 0.00 0.00 63.50 62.03 1bfi n PRO 104 Cb 0.43 -2.59 0.19 0.00 -0.02 0.00 0.00 33.50 31.52 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 1.72 1.36 -0.49 -1.45 3.04 -0.03 -3.00 116.25 117.40 1bfi h VAL 105 Ca -0.51 -1.79 -0.28 0.00 -1.01 0.00 0.00 66.70 63.12 1bfi h VAL 105 Cb 1.29 1.90 -0.17 0.00 -2.01 0.00 0.00 31.29 32.31 1bfi h VAL 105 CO 0.58 0.52 -0.02 -1.22 -1.01 0.00 0.00 177.57 176.42 1bfi n TYR 106 N -3.93 1.55 -1.55 3.17 4.01 0.15 -5.02 117.16 115.55 1bfi n TYR 106 Ca -0.02 -1.79 -0.58 0.00 -0.16 0.00 0.00 57.90 55.35 1bfi n TYR 106 Cb 0.55 -0.59 -0.08 0.00 -0.31 0.00 0.00 39.34 38.91 1bfi n TYR 106 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bfi n ALA 107 N -1.08 -2.73 -2.63 -0.72 0.00 -1.13 -4.35 120.51 107.86 1bfi n ALA 107 Ca 0.39 0.56 -0.24 0.00 0.00 0.00 0.00 53.44 54.15 1bfi n ALA 107 Cb 1.07 -1.86 -0.15 0.00 0.00 0.00 0.00 19.45 18.50 1bfi n ALA 107 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1bfi s GLN 108 N 0.54 1.37 0.47 0.00 0.74 -1.26 -5.04 119.66 116.48 1bfi s GLN 108 Ca 0.91 -0.56 -0.21 0.00 0.05 0.00 0.00 55.36 55.55 1bfi s GLN 108 Cb -1.22 -1.29 -0.08 0.00 1.10 0.00 0.00 33.01 31.52 1bfi s GLN 108 CO 0.58 0.31 1.06 -0.65 -0.55 0.00 0.00 175.29 176.04 1bfi s GLN 109 N -0.26 3.83 0.28 1.67 -0.21 -1.26 -4.97 119.66 118.74 1bfi s GLN 109 Ca 0.04 1.45 -0.29 0.00 0.02 0.00 0.00 55.36 56.57 1bfi s GLN 109 Cb -0.07 -2.21 -0.10 0.00 1.00 0.00 0.00 33.01 31.63 1bfi s GLN 109 CO -0.00 -0.42 1.37 0.50 -2.12 0.00 0.00 175.29 174.62 1bfi s ARG 110 N -3.03 4.31 0.00 2.91 3.52 -1.26 -5.26 118.95 120.14 1bfi s ARG 110 Ca 0.66 2.24 0.29 0.00 -0.13 0.00 0.00 55.73 58.79 1bfi s ARG 110 Cb -0.19 -3.10 1.32 0.00 -1.56 0.00 0.00 34.95 31.41 1bfi s ARG 110 CO 0.23 -0.31 1.90 -2.13 -0.81 0.00 0.00 175.30 174.18