#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 5.91 0.23 1.62 1.01 -1.26 -4.98 116.67 119.20 1bfi s ASP 2 Ca 0.00 2.41 -0.26 0.00 0.71 0.00 0.00 52.55 55.41 1bfi s ASP 2 Cb 0.00 -2.61 -0.09 0.00 1.01 0.00 0.00 42.92 41.23 1bfi s ASP 2 CO 0.00 -1.11 0.86 -0.76 0.21 0.00 0.00 175.17 174.37 1bfi s LEU 3 N -3.21 4.53 0.00 1.23 1.43 -1.26 -4.91 118.68 116.49 1bfi s LEU 3 Ca 0.66 1.76 0.08 0.00 -1.03 0.00 0.00 54.13 55.59 1bfi s LEU 3 Cb -0.31 -3.59 0.34 0.00 0.03 0.00 0.00 46.19 42.67 1bfi s LEU 3 CO 0.37 0.11 1.19 -0.81 0.23 0.00 0.00 176.35 177.45 1bfi n PRO 4 N 1.23 0.04 0.24 1.29 -0.04 -1.26 -2.36 135.00 134.14 1bfi n PRO 4 Ca -0.02 0.31 0.09 0.00 -0.04 0.00 0.00 63.50 63.84 1bfi n PRO 4 Cb 0.49 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 33.04 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 0.00 0.00 0.54 3.86 -1.98 -2.37 115.15 115.19 1bfi h HIS 5 Ca 0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 1bfi h HIS 5 Cb 0.11 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1bfi h HIS 5 CO 0.00 0.19 -0.21 0.45 0.86 0.00 0.00 177.93 179.23 1bfi h HIS 6 N 0.00 0.00 -3.27 2.45 3.86 -1.87 -3.41 115.15 112.91 1bfi h HIS 6 Ca -0.00 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.58 1bfi h HIS 6 Cb 0.45 0.00 -0.17 0.00 1.06 0.00 0.00 27.41 28.75 1bfi h HIS 6 CO 0.00 0.21 -0.59 -0.51 0.86 0.00 0.00 177.93 177.90 1bfi s ASP 7 N -6.96 5.44 0.48 2.45 1.01 -0.89 -4.97 116.67 113.22 1bfi s ASP 7 Ca -0.04 0.06 0.27 0.00 0.71 0.00 0.00 52.55 53.55 1bfi s ASP 7 Cb 0.15 -1.87 1.14 0.00 1.01 0.00 0.00 42.92 43.35 1bfi s ASP 7 CO 0.70 0.21 1.92 -0.33 0.21 0.00 0.00 175.17 177.87 1bfi h GLU 8 N 6.44 0.00 -0.14 8.23 5.08 -1.82 -3.01 114.58 129.36 1bfi h GLU 8 Ca -0.38 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 1bfi h GLU 8 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1bfi h GLU 8 CO 0.67 0.16 0.02 1.57 -1.00 0.00 0.00 179.01 180.43 1bfi h LYS 9 N 0.00 0.20 0.00 2.33 2.10 -1.90 3.71 116.57 123.01 1bfi h LYS 9 Ca -0.00 -0.02 -0.05 0.00 -2.00 0.00 0.00 60.65 58.57 1bfi h LYS 9 Cb 0.61 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.89 1bfi h LYS 9 CO 0.02 0.20 -0.26 1.79 -2.00 0.00 0.00 179.45 179.20 1bfi h THR 10 N 0.20 0.68 0.00 0.07 1.35 -1.70 -3.36 112.91 110.14 1bfi h THR 10 Ca 0.05 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 64.75 1bfi h THR 10 Cb 0.10 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1bfi h THR 10 CO -0.00 0.25 -0.77 -2.67 -0.25 0.00 0.00 175.52 172.08 1bfi n TRP 11 N -3.49 0.00 -2.98 4.73 4.27 -0.84 -0.16 117.44 118.97 1bfi n TRP 11 Ca -0.00 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.20 1bfi n TRP 11 Cb 0.43 0.00 -0.05 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 -2.51 6.84 0.00 -0.67 3.84 1.22 0.26 114.94 123.92 1bfi s ASN 12 Ca 0.00 1.03 0.22 0.00 0.21 0.00 0.00 52.86 54.32 1bfi s ASN 12 Cb 0.00 -2.41 0.20 0.00 -0.55 0.00 0.00 41.25 38.49 1bfi s ASN 12 CO 0.00 -0.36 1.22 0.55 -2.79 0.00 0.00 177.10 175.72 1bfi n VAL 13 N 4.75 0.06 -4.68 -5.21 3.14 -0.69 -4.33 118.33 111.36 1bfi n VAL 13 Ca 0.02 -0.53 0.00 0.00 -2.96 0.00 0.00 64.34 60.87 1bfi n VAL 13 Cb 0.49 1.40 0.00 0.00 -1.06 0.00 0.00 33.84 34.67 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 1.26 0.41 3.77 7.55 0.00 -1.26 -4.69 105.19 112.23 1bfi n GLY 14 Ca 0.13 -0.85 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 1bfi n GLY 14 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bfi s SER 15 N -4.00 5.84 -0.21 1.61 1.04 -1.26 -4.40 113.70 112.32 1bfi s SER 15 Ca 0.00 2.28 -0.33 0.00 0.48 0.00 0.00 55.95 58.38 1bfi s SER 15 Cb 0.00 -2.59 0.15 0.00 0.10 0.00 0.00 66.02 63.68 1bfi s SER 15 CO 0.00 -1.14 1.21 -0.55 0.98 0.00 0.00 173.24 173.74 1bfi s SER 16 N -1.54 -0.15 0.27 7.02 0.15 -1.26 -5.08 113.70 113.10 1bfi s SER 16 Ca 0.69 0.06 -0.29 0.00 0.70 0.00 0.00 55.95 57.12 1bfi s SER 16 Cb -0.27 0.14 -0.09 0.00 -1.71 0.00 0.00 66.02 64.09 1bfi s SER 16 CO 0.32 -0.20 0.99 0.21 1.20 0.00 0.00 173.24 175.75 1bfi s ASN 17 N -1.77 7.47 0.40 5.45 2.47 -1.26 -4.93 114.94 122.76 1bfi s ASN 17 Ca 0.08 2.03 0.06 0.00 0.42 0.00 0.00 52.86 55.45 1bfi s ASN 17 Cb -0.01 -2.61 0.81 0.00 -1.45 0.00 0.00 41.25 37.99 1bfi s ASN 17 CO -0.05 0.02 2.04 0.03 -3.72 0.00 0.00 177.10 175.43 1bfi h ARG 18 N 3.86 0.58 -0.98 0.43 3.08 -2.00 -1.53 114.38 117.83 1bfi h ARG 18 Ca -0.46 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.56 1bfi h ARG 18 Cb 1.20 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 31.07 1bfi h ARG 18 CO 0.67 0.40 0.65 -2.95 -1.07 0.00 0.00 179.97 177.66 1bfi h ASN 19 N 0.60 1.12 -0.67 7.04 -1.07 -2.00 -0.71 115.58 119.89 1bfi h ASN 19 Ca 0.16 -0.03 -0.06 0.00 0.07 0.00 0.00 56.30 56.44 1bfi h ASN 19 Cb -0.05 -0.28 -0.03 0.00 -2.07 0.00 0.00 38.32 35.89 1bfi h ASN 19 CO -0.03 0.81 0.19 0.50 0.07 0.00 0.00 177.43 178.97 1bfi h LYS 20 N 1.32 1.06 -0.59 4.14 3.64 -1.68 -2.00 116.57 122.46 1bfi h LYS 20 Ca 0.36 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1bfi h LYS 20 Cb -0.15 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.49 1bfi h LYS 20 CO -0.08 0.93 0.37 0.00 -2.27 0.00 0.00 179.45 178.40 1bfi h ALA 21 N 1.08 1.54 -0.13 5.00 0.00 -0.81 -1.39 119.26 124.56 1bfi h ALA 21 Ca 0.21 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1bfi h ALA 21 Cb 0.32 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1bfi h ALA 21 CO -0.00 0.41 0.07 0.93 0.00 0.00 0.00 179.25 180.65 1bfi h GLU 22 N 0.81 0.14 -1.00 0.00 5.08 -0.42 0.95 114.58 120.14 1bfi h GLU 22 Ca 0.22 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1bfi h GLU 22 Cb -0.06 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 1bfi h GLU 22 CO -0.04 0.09 0.66 -2.95 -1.00 0.00 0.00 179.01 175.77 1bfi h ASN 23 N 0.14 1.15 0.35 1.42 7.08 -1.18 2.10 115.58 126.65 1bfi h ASN 23 Ca 0.05 -0.03 -0.07 0.00 -3.08 0.00 0.00 56.30 53.17 1bfi h ASN 23 Cb 0.00 -0.29 -0.01 0.00 -2.08 0.00 0.00 38.32 35.94 1bfi h ASN 23 CO -0.03 0.84 -0.35 -0.07 -2.08 0.00 0.00 177.43 175.74 1bfi h LEU 24 N 1.36 0.00 -0.30 6.14 3.38 -0.30 -2.06 115.31 123.53 1bfi h LEU 24 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1bfi h LEU 24 Cb -0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1bfi h LEU 24 CO -0.08 0.35 -0.53 0.18 0.09 0.00 0.00 178.44 178.45 1bfi n LEU 25 N -4.12 1.00 -4.71 1.67 4.77 0.32 -4.60 117.00 111.33 1bfi n LEU 25 Ca -0.02 -0.30 -0.36 0.00 -0.03 0.00 0.00 56.01 55.30 1bfi n LEU 25 Cb 0.39 -0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.28 1bfi n LEU 25 CO 0.38 0.21 -0.06 -0.60 -1.33 0.00 0.00 177.39 176.00 1bfi s ARG 26 N -2.77 4.21 -0.10 3.23 3.52 0.68 -4.00 118.95 123.72 1bfi s ARG 26 Ca 0.16 -0.00 0.00 0.00 -0.13 0.00 0.00 55.73 55.75 1bfi s ARG 26 Cb 0.18 -3.45 0.00 0.00 -1.56 0.00 0.00 34.95 30.11 1bfi s ARG 26 CO 0.66 0.19 0.00 0.41 -0.81 0.00 0.00 175.30 175.75 1bfi n GLY 27 N 3.60 0.48 3.51 8.12 0.00 -1.26 -4.85 105.19 114.80 1bfi n GLY 27 Ca -0.13 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 1bfi n GLY 27 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bfi s LYS 28 N -1.52 3.33 0.82 1.61 2.47 -1.26 -5.10 119.74 120.10 1bfi s LYS 28 Ca 0.00 -0.55 -0.13 0.00 -1.56 0.00 0.00 55.97 53.73 1bfi s LYS 28 Cb 0.00 -2.77 0.09 0.00 -1.46 0.00 0.00 37.83 33.69 1bfi s LYS 28 CO 0.00 0.38 1.19 -0.98 0.16 0.00 0.00 175.35 176.11 1bfi s ARG 29 N -0.04 1.55 0.65 4.03 1.70 -1.26 -4.91 118.95 120.67 1bfi s ARG 29 Ca 0.00 1.71 -0.17 0.00 -0.47 0.00 0.00 55.73 56.80 1bfi s ARG 29 Cb -0.13 -1.77 -0.00 0.00 -0.57 0.00 0.00 34.95 32.47 1bfi s ARG 29 CO 0.03 -2.27 1.21 -0.51 -1.08 0.00 0.00 175.30 172.68 1bfi s ASP 30 N -2.27 4.74 0.00 -2.89 1.01 -1.26 -3.21 116.67 112.79 1bfi s ASP 30 Ca 0.72 2.38 0.00 0.00 0.71 0.00 0.00 52.55 56.36 1bfi s ASP 30 Cb -0.27 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.06 1bfi s ASP 30 CO 0.52 -1.89 0.00 0.61 0.21 0.00 0.00 175.17 174.61 1bfi n GLY 31 N 0.45 3.37 3.66 0.21 0.00 -1.10 -5.01 105.19 106.76 1bfi n GLY 31 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.89 4.82 0.12 2.61 2.01 -1.20 -2.00 115.64 119.10 1bfi s THR 32 Ca 0.00 1.70 0.00 0.00 0.31 0.00 0.00 61.69 63.70 1bfi s THR 32 Cb 0.00 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 1bfi s THR 32 CO 0.00 -0.06 -0.00 0.72 -0.69 0.00 0.00 174.62 174.59 1bfi s PHE 33 N 2.65 0.89 0.01 4.92 -0.71 -0.57 -1.95 117.98 123.23 1bfi s PHE 33 Ca 0.38 -1.08 -0.00 0.00 -1.04 0.00 0.00 56.93 55.19 1bfi s PHE 33 Cb -0.16 -0.53 -0.01 0.00 -1.21 0.00 0.00 43.02 41.11 1bfi s PHE 33 CO 0.09 -0.33 -0.02 -0.48 -1.34 0.00 0.00 175.22 173.14 1bfi s LEU 34 N -3.06 2.16 -0.10 -1.99 2.34 0.11 -2.34 118.68 115.81 1bfi s LEU 34 Ca 0.18 -0.36 -0.17 0.00 0.06 0.00 0.00 54.13 53.84 1bfi s LEU 34 Cb 0.07 0.09 -0.05 0.00 -0.56 0.00 0.00 46.19 45.74 1bfi s LEU 34 CO -0.01 -0.22 0.44 -0.69 -1.06 0.00 0.00 176.35 174.81 1bfi s VAL 35 N -1.07 5.16 0.09 1.48 1.01 0.72 0.48 120.40 128.27 1bfi s VAL 35 Ca -0.12 0.89 0.01 0.00 0.00 0.00 0.00 61.98 62.76 1bfi s VAL 35 Cb -0.07 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1bfi s VAL 35 CO -0.01 0.38 0.09 -1.14 0.00 0.00 0.00 175.10 174.43 1bfi n ARG 36 N 3.28 0.13 -3.53 2.72 0.63 0.86 -1.71 116.66 119.04 1bfi n ARG 36 Ca -0.09 -0.87 -0.20 0.00 -0.92 0.00 0.00 57.85 55.77 1bfi n ARG 36 Cb 0.52 0.74 -0.03 0.00 0.45 0.00 0.00 32.46 34.15 1bfi n ARG 36 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1bfi s GLU 37 N -2.33 2.60 0.00 -0.14 0.41 -1.24 0.16 118.70 118.17 1bfi s GLU 37 Ca 0.10 -1.46 0.00 0.00 -0.41 0.00 0.00 54.97 53.20 1bfi s GLU 37 Cb 0.00 -2.44 0.00 0.00 -1.78 0.00 0.00 34.13 29.91 1bfi s GLU 37 CO 0.07 -0.16 0.57 0.43 -0.49 0.00 0.00 175.26 175.68 1bfi n SER 38 N -1.56 0.63 0.00 -0.19 7.64 -1.25 -4.52 113.62 114.38 1bfi n SER 38 Ca 0.03 -1.76 0.00 0.00 1.01 0.00 0.00 58.87 58.15 1bfi n SER 38 Cb 0.61 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 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 -0.10 0.00 -4.83 6.43 7.64 -1.26 -5.04 113.62 116.46 1bfi n SER 39 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 1bfi n SER 39 Cb 0.16 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.30 1bfi n SER 39 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1bfi s LYS 40 N 0.00 4.12 0.38 1.43 -0.14 -1.26 -4.96 119.74 119.31 1bfi s LYS 40 Ca 0.00 0.75 0.13 0.00 -1.36 0.00 0.00 55.97 55.50 1bfi s LYS 40 Cb 0.00 -2.67 0.76 0.00 -1.68 0.00 0.00 37.83 34.24 1bfi s LYS 40 CO 0.00 0.29 1.84 0.37 -0.76 0.00 0.00 175.35 177.09 1bfi h GLN 41 N 2.87 0.00 -0.49 1.68 4.15 -1.99 -2.27 115.11 119.07 1bfi h GLN 41 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1bfi h GLN 41 Cb 1.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.87 1bfi h GLN 41 CO 0.65 0.35 0.00 0.41 -1.93 0.00 0.00 178.83 178.32 1bfi n GLY 42 N -0.50 1.23 3.48 2.39 0.00 -1.26 -4.88 105.19 105.65 1bfi n GLY 42 Ca -0.02 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.00 1.27 -0.27 0.00 1.51 -1.07 -3.78 117.35 113.01 1bfi s TYR 44 Ca 0.25 -0.56 -0.27 0.00 -1.01 0.00 0.00 57.07 55.48 1bfi s TYR 44 Cb -0.07 -0.68 0.17 0.00 -0.11 0.00 0.00 41.96 41.27 1bfi s TYR 44 CO 0.13 0.09 1.29 0.00 -1.11 0.00 0.00 175.55 175.95 1bfi s ALA 45 N -2.04 -2.11 0.16 3.71 0.00 0.43 -0.59 121.76 121.31 1bfi s ALA 45 Ca 0.06 1.77 0.08 0.00 0.00 0.00 0.00 51.96 53.87 1bfi s ALA 45 Cb -0.05 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 1bfi s ALA 45 CO 0.02 -0.20 -0.18 0.00 0.00 0.00 0.00 175.76 175.40 1bfi s SER 47 N -2.61 3.10 0.04 0.00 0.15 0.18 0.53 113.70 115.09 1bfi s SER 47 Ca 0.15 -0.47 0.05 0.00 0.70 0.00 0.00 55.95 56.37 1bfi s SER 47 Cb -0.06 -0.48 -0.02 0.00 -1.71 0.00 0.00 66.02 63.75 1bfi s SER 47 CO 0.06 0.30 -0.13 0.54 1.20 0.00 0.00 173.24 175.21 1bfi s VAL 48 N -0.51 1.04 -0.07 4.45 0.11 -0.07 0.06 120.40 125.42 1bfi s VAL 48 Ca 0.07 -0.99 -0.18 0.00 -2.93 0.00 0.00 61.98 57.95 1bfi s VAL 48 Cb -0.11 -0.96 -0.05 0.00 -1.53 0.00 0.00 36.38 33.74 1bfi s VAL 48 CO 0.00 -0.03 0.48 -0.69 -3.33 0.00 0.00 175.10 171.53 1bfi s VAL 49 N -0.88 5.10 0.29 2.04 1.01 -0.82 0.25 120.40 127.39 1bfi s VAL 49 Ca 0.01 0.97 0.09 0.00 0.00 0.00 0.00 61.98 63.05 1bfi s VAL 49 Cb -0.08 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.44 1bfi s VAL 49 CO 0.01 0.41 -0.12 0.54 0.00 0.00 0.00 175.10 175.94 1bfi s VAL 50 N 0.05 2.06 -0.00 2.92 0.11 -0.54 -2.73 120.40 122.27 1bfi s VAL 50 Ca 0.26 -2.23 -0.01 0.00 -2.93 0.00 0.00 61.98 57.07 1bfi s VAL 50 Cb -0.16 -2.43 -0.04 0.00 -1.53 0.00 0.00 36.38 32.22 1bfi s VAL 50 CO 0.12 -0.33 0.96 -0.90 -3.33 0.00 0.00 175.10 171.62 1bfi n ASP 51 N -0.64 0.76 0.00 3.54 5.68 -1.26 -2.50 116.55 122.13 1bfi n ASP 51 Ca -0.05 -1.65 0.00 0.00 -0.50 0.00 0.00 54.79 52.59 1bfi n ASP 51 Cb 0.62 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 1bfi n ASP 51 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bfi n GLY 52 N 2.94 -0.01 3.69 6.12 0.00 -1.26 -5.15 105.19 111.51 1bfi n GLY 52 Ca 0.06 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 1bfi n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bfi s GLU 53 N 0.00 1.59 0.44 1.61 0.41 -1.04 -5.14 118.70 116.56 1bfi s GLU 53 Ca 0.00 -0.86 -0.23 0.00 -0.41 0.00 0.00 54.97 53.47 1bfi s GLU 53 Cb 0.00 0.58 -0.08 0.00 -1.78 0.00 0.00 34.13 32.85 1bfi s GLU 53 CO 0.00 -0.71 1.09 0.14 -0.49 0.00 0.00 175.26 175.29 1bfi s VAL 54 N -3.88 3.50 0.05 2.63 -7.23 -1.26 -1.46 120.40 112.75 1bfi s VAL 54 Ca 0.09 1.10 0.06 0.00 -1.81 0.00 0.00 61.98 61.42 1bfi s VAL 54 Cb -0.04 -3.54 -0.04 0.00 0.56 0.00 0.00 36.38 33.33 1bfi s VAL 54 CO 0.01 -0.04 -0.12 -0.54 -0.31 0.00 0.00 175.10 174.09 1bfi s LYS 55 N -2.71 2.21 -0.55 4.82 -0.14 0.70 -4.87 119.74 119.20 1bfi s LYS 55 Ca 0.62 -0.93 0.07 0.00 -1.36 0.00 0.00 55.97 54.36 1bfi s LYS 55 Cb -0.23 -2.31 0.29 0.00 -1.68 0.00 0.00 37.83 33.89 1bfi s LYS 55 CO 0.29 0.54 0.77 0.72 -0.76 0.00 0.00 175.35 176.91 1bfi n HIS 56 N 1.24 2.74 -1.74 3.18 8.25 -1.26 -0.89 115.22 126.73 1bfi n HIS 56 Ca -0.15 -3.98 -0.39 0.00 -0.26 0.00 0.00 57.72 52.94 1bfi n HIS 56 Cb 0.52 -0.49 0.03 0.00 1.12 0.00 0.00 29.99 31.18 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 -1.25 4.57 -0.09 0.00 1.01 -1.26 -0.39 120.40 122.97 1bfi s VAL 58 Ca 0.68 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.53 1bfi s VAL 58 Cb -0.43 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 1bfi s VAL 58 CO 0.52 0.59 -0.17 -0.63 0.00 0.00 0.00 175.10 175.42 1bfi s ILE 59 N -0.72 2.78 -0.35 2.22 -1.09 0.24 -4.80 121.20 119.47 1bfi s ILE 59 Ca 0.12 -0.79 0.01 0.00 -2.23 0.00 0.00 60.65 57.76 1bfi s ILE 59 Cb -0.12 -2.11 0.09 0.00 -1.58 0.00 0.00 42.46 38.74 1bfi s ILE 59 CO 0.02 0.55 0.08 0.20 -1.23 0.00 0.00 174.94 174.57 1bfi s ASN 60 N -0.02 4.93 -1.11 3.58 0.01 -0.93 -2.60 114.94 118.81 1bfi s ASN 60 Ca -0.05 -1.90 -0.26 0.00 -0.71 0.00 0.00 52.86 49.95 1bfi s ASN 60 Cb -0.14 -1.71 -0.20 0.00 0.41 0.00 0.00 41.25 39.61 1bfi s ASN 60 CO 0.04 -0.40 2.07 -0.75 -1.51 0.00 0.00 177.10 176.56 1bfi s LYS 61 N 1.06 1.47 0.37 -0.60 2.20 -1.26 0.24 119.74 123.22 1bfi s LYS 61 Ca 0.05 -0.61 0.04 0.00 -0.36 0.00 0.00 55.97 55.10 1bfi s LYS 61 Cb -0.21 -5.04 -0.03 0.00 -1.51 0.00 0.00 37.83 31.04 1bfi s LYS 61 CO -0.05 -5.18 0.14 0.95 -0.36 0.00 0.00 175.35 170.85 1bfi s THR 62 N 15.71 0.56 0.25 3.43 -4.23 -1.26 -4.90 115.64 125.19 1bfi s THR 62 Ca 0.78 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.26 1bfi s THR 62 Cb -0.04 -2.44 0.22 0.00 1.34 0.00 0.00 72.50 71.57 1bfi s THR 62 CO 0.17 0.00 1.78 0.00 -0.54 0.00 0.00 174.62 176.03 1bfi h ALA 63 N 1.94 1.16 -1.23 3.99 0.00 -2.06 -3.32 119.26 119.75 1bfi h ALA 63 Ca -0.35 0.06 -0.41 0.00 0.00 0.00 0.00 54.91 54.21 1bfi h ALA 63 Cb 1.26 -0.06 -0.30 0.00 0.00 0.00 0.00 17.79 18.70 1bfi h ALA 63 CO 0.56 -0.02 -0.89 -2.37 0.00 0.00 0.00 179.25 176.53 1bfi n THR 64 N -4.83 -0.31 -0.80 0.00 5.66 -1.26 -4.90 114.28 107.85 1bfi n THR 64 Ca 0.14 -3.18 0.00 0.00 -3.05 0.00 0.00 64.05 57.96 1bfi n THR 64 Cb 0.34 -0.23 0.00 0.00 -1.55 0.00 0.00 70.33 68.89 1bfi n THR 64 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bfi n GLY 65 N 1.05 0.94 0.00 1.09 0.00 -1.25 -4.88 105.19 102.14 1bfi n GLY 65 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1bfi n GLY 65 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1bfi n TYR 66 N 0.00 0.00 -3.13 1.61 0.18 0.65 -2.20 117.16 114.28 1bfi n TYR 66 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1bfi n TYR 66 Cb 0.00 -0.30 0.00 0.00 -0.38 0.00 0.00 39.34 38.66 1bfi n TYR 66 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1bfi n GLY 67 N -1.28 3.25 3.74 -7.48 0.00 -1.26 -3.38 105.19 98.78 1bfi n GLY 67 Ca 0.00 -1.22 -0.32 0.00 0.00 0.00 0.00 46.02 44.48 1bfi n GLY 67 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bfi s PHE 68 N -4.65 2.31 -2.19 1.61 0.08 -1.26 -4.88 117.98 109.00 1bfi s PHE 68 Ca 0.00 1.61 0.20 0.00 0.12 0.00 0.00 56.93 58.87 1bfi s PHE 68 Cb 0.00 -3.19 0.53 0.00 -0.57 0.00 0.00 43.02 39.79 1bfi s PHE 68 CO 0.00 -2.09 1.45 0.00 -0.10 0.00 0.00 175.22 174.47 1bfi n ALA 69 N -3.32 2.42 -1.20 5.36 0.00 -1.26 -4.48 120.51 118.03 1bfi n ALA 69 Ca 0.11 -0.97 -0.36 0.00 0.00 0.00 0.00 53.44 52.22 1bfi n ALA 69 Cb 0.52 -0.95 0.08 0.00 0.00 0.00 0.00 19.45 19.10 1bfi n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bfi n GLU 70 N 1.21 0.23 0.00 0.00 1.02 -1.26 -4.62 120.64 117.22 1bfi n GLU 70 Ca 0.19 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.46 1bfi n GLU 70 Cb 0.51 -1.86 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1bfi n GLU 70 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1bfi n PRO 71 N -0.95 0.00 0.30 3.49 -0.02 -1.26 -1.27 135.00 135.29 1bfi n PRO 71 Ca 0.10 0.00 0.15 0.00 -2.02 0.00 0.00 63.50 61.72 1bfi n PRO 71 Cb 0.50 -1.97 0.74 0.00 -0.02 0.00 0.00 33.50 32.75 1bfi n PRO 71 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 1bfi h TYR 72 N 0.00 0.00 -4.87 6.00 0.05 -1.92 -3.44 116.97 112.79 1bfi h TYR 72 Ca 0.00 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.46 1bfi h TYR 72 Cb 0.98 0.00 0.11 0.00 1.01 0.00 0.00 36.73 38.83 1bfi h TYR 72 CO 0.00 0.00 -0.55 0.09 -1.05 0.00 0.00 178.16 176.65 1bfi n ASN 73 N -2.95 -5.33 -2.05 3.88 3.02 -0.40 -4.50 115.26 106.94 1bfi n ASN 73 Ca -0.01 -0.43 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 1bfi n ASN 73 Cb 0.47 -4.12 0.00 0.00 -0.61 0.00 0.00 39.78 35.52 1bfi n ASN 73 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1bfi n LEU 74 N -4.07 -4.14 -4.74 3.41 7.99 -1.26 -4.81 117.00 109.38 1bfi n LEU 74 Ca -0.00 2.41 -0.38 0.00 -0.01 0.00 0.00 56.01 58.02 1bfi n LEU 74 Cb 0.55 -2.63 0.05 0.00 -0.11 0.00 0.00 43.42 41.28 1bfi n LEU 74 CO 0.52 -1.83 0.97 -0.31 -1.51 0.00 0.00 177.39 175.22 1bfi s TYR 75 N -0.36 2.18 0.20 -1.77 2.02 -1.26 -4.92 117.35 113.44 1bfi s TYR 75 Ca 0.00 1.40 -0.08 0.00 -0.37 0.00 0.00 57.07 58.02 1bfi s TYR 75 Cb 0.00 -3.79 0.12 0.00 -0.40 0.00 0.00 41.96 37.89 1bfi s TYR 75 CO 0.00 -2.99 1.69 0.77 -1.57 0.00 0.00 175.55 173.46 1bfi h SER 76 N 1.12 1.06 -4.20 2.29 0.02 -1.94 -3.44 113.55 108.46 1bfi h SER 76 Ca -0.51 -0.25 -0.61 0.00 -0.84 0.00 0.00 61.79 59.58 1bfi h SER 76 Cb 1.32 -0.28 -0.24 0.00 0.14 0.00 0.00 62.40 63.33 1bfi h SER 76 CO 0.56 1.05 -0.85 -0.44 -1.14 0.00 0.00 176.83 176.01 1bfi s SER 77 N -6.51 2.72 0.25 3.07 0.01 -1.26 -5.02 113.70 106.96 1bfi s SER 77 Ca -0.12 -0.62 -0.06 0.00 1.31 0.00 0.00 55.95 56.46 1bfi s SER 77 Cb 0.14 -0.20 0.27 0.00 0.21 0.00 0.00 66.02 66.44 1bfi s SER 77 CO 0.85 0.15 1.92 -0.07 0.41 0.00 0.00 173.24 176.49 1bfi h LEU 78 N 4.46 1.10 -0.96 2.44 3.38 -2.01 -1.40 115.31 122.31 1bfi h LEU 78 Ca -0.46 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 57.59 1bfi h LEU 78 Cb 1.17 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 41.57 1bfi h LEU 78 CO 0.42 0.78 0.60 0.11 0.09 0.00 0.00 178.44 180.44 1bfi h LYS 79 N 1.29 0.96 -0.83 1.13 1.57 -1.95 -1.25 116.57 117.49 1bfi h LYS 79 Ca 0.37 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 59.06 1bfi h LYS 79 Cb -0.10 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 31.95 1bfi h LYS 79 CO -0.09 0.64 0.41 1.49 -0.57 0.00 0.00 179.45 181.32 1bfi h GLU 80 N 0.99 1.18 -0.66 3.15 4.81 -1.67 -2.65 114.58 119.74 1bfi h GLU 80 Ca 0.46 -0.17 0.03 0.00 -0.13 0.00 0.00 59.36 59.55 1bfi h GLU 80 Cb 0.38 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1bfi h GLU 80 CO -0.24 0.90 0.41 1.25 -0.73 0.00 0.00 179.01 180.60 1bfi h LEU 81 N 1.17 0.68 -0.89 1.64 6.46 -1.04 0.51 115.31 123.83 1bfi h LEU 81 Ca 0.29 -0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.99 1bfi h LEU 81 Cb 0.10 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 39.85 1bfi h LEU 81 CO -0.04 0.47 0.21 0.58 -0.62 0.00 0.00 178.44 179.05 1bfi h VAL 82 N 0.81 1.25 -0.05 1.05 2.07 -1.24 -1.68 116.25 118.45 1bfi h VAL 82 Ca 0.26 -0.85 -0.24 0.00 0.82 0.00 0.00 66.70 66.70 1bfi h VAL 82 Cb 0.00 0.50 0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1bfi h VAL 82 CO -0.10 0.33 -0.91 -0.07 0.02 0.00 0.00 177.57 176.84 1bfi h LEU 83 N 0.99 0.80 -0.76 2.57 3.38 -1.02 -2.93 115.31 118.34 1bfi h LEU 83 Ca 0.22 -0.59 -0.07 0.00 0.09 0.00 0.00 57.88 57.53 1bfi h LEU 83 Cb 0.28 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1bfi h LEU 83 CO -0.01 1.39 0.14 -0.74 0.09 0.00 0.00 178.44 179.30 1bfi h HIS 84 N 0.39 1.13 0.00 1.13 2.76 0.19 -1.97 115.15 118.79 1bfi h HIS 84 Ca -0.09 -0.14 -0.05 0.00 -2.20 0.00 0.00 60.37 57.89 1bfi h HIS 84 Cb 1.54 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 30.18 1bfi h HIS 84 CO 0.08 0.93 -0.26 1.88 -1.30 0.00 0.00 177.93 179.26 1bfi h TYR 85 N 1.01 0.00 -0.36 5.26 -1.99 -1.34 -1.61 116.97 117.94 1bfi h TYR 85 Ca 0.21 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.89 1bfi h TYR 85 Cb 0.39 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.10 1bfi h TYR 85 CO 0.03 0.26 0.02 0.37 -0.00 0.00 0.00 178.16 178.84 1bfi h GLN 86 N 0.00 0.56 0.00 4.88 4.15 -1.16 -2.34 115.11 121.20 1bfi h GLN 86 Ca -0.00 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.30 1bfi h GLN 86 Cb 0.54 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.15 1bfi h GLN 86 CO 0.03 0.57 -0.72 0.72 -1.93 0.00 0.00 178.83 177.50 1bfi n HIS 87 N -4.29 0.32 -3.87 3.99 8.25 -0.78 -4.48 115.22 114.36 1bfi n HIS 87 Ca 0.02 0.09 -0.36 0.00 -0.26 0.00 0.00 57.72 57.21 1bfi n HIS 87 Cb 0.24 -0.48 -0.07 0.00 1.12 0.00 0.00 29.99 30.80 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 -3.13 5.35 -0.14 1.59 2.01 -0.68 -5.07 115.64 115.57 1bfi s THR 88 Ca 0.07 0.16 -0.24 0.00 0.31 0.00 0.00 61.69 61.99 1bfi s THR 88 Cb 0.15 -3.37 -0.02 0.00 0.01 0.00 0.00 72.50 69.27 1bfi s THR 88 CO 0.74 0.55 0.75 -0.55 -0.69 0.00 0.00 174.62 175.42 1bfi s SER 89 N -0.47 6.91 0.59 3.53 0.15 -1.26 -4.55 113.70 118.60 1bfi s SER 89 Ca 0.12 1.11 0.37 0.00 0.70 0.00 0.00 55.95 58.25 1bfi s SER 89 Cb -0.12 -2.42 1.72 0.00 -1.71 0.00 0.00 66.02 63.49 1bfi s SER 89 CO 0.02 -0.29 2.11 -0.07 1.20 0.00 0.00 173.24 176.21 1bfi h LEU 90 N 7.81 0.00 0.00 3.45 3.38 -0.97 -3.34 115.31 125.64 1bfi h LEU 90 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1bfi h LEU 90 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1bfi h LEU 90 CO 0.80 0.00 0.00 0.55 0.09 0.00 0.00 178.44 179.88 1bfi n VAL 91 N -3.09 0.00 -1.03 1.22 3.14 2.02 -4.43 118.33 116.16 1bfi n VAL 91 Ca -0.01 0.00 0.14 0.00 -2.96 0.00 0.00 64.34 61.51 1bfi n VAL 91 Cb 0.23 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.97 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 -2.90 -2.07 0.26 1.45 7.27 -1.26 -1.50 117.38 118.63 1bfi n GLN 92 Ca 0.00 1.38 0.09 0.00 0.07 0.00 0.00 57.00 58.53 1bfi n GLN 92 Cb 0.00 -2.53 0.67 0.00 2.41 0.00 0.00 30.24 30.79 1bfi n GLN 92 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1bfi h HIS 93 N -0.97 0.00 -0.12 3.69 3.86 -1.98 0.36 115.15 119.99 1bfi h HIS 93 Ca 0.02 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.26 1bfi h HIS 93 Cb 1.24 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.70 1bfi h HIS 93 CO -2.31 0.00 0.18 -0.91 0.86 0.00 0.00 177.93 175.75 1bfi h ASN 94 N 0.00 0.00 -5.37 2.45 2.35 -1.92 -3.45 115.58 109.64 1bfi h ASN 94 Ca -0.00 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.40 1bfi h ASN 94 Cb 0.01 0.00 0.13 0.00 0.05 0.00 0.00 38.32 38.51 1bfi h ASN 94 CO 0.00 0.00 -0.63 -0.67 -1.65 0.00 0.00 177.43 174.48 1bfi n ASP 95 N -3.58 -5.33 0.00 5.81 2.03 0.12 -4.85 116.55 110.75 1bfi n ASP 95 Ca 0.00 -0.50 0.00 0.00 0.52 0.00 0.00 54.79 54.81 1bfi n ASP 95 Cb 0.28 -4.61 0.00 0.00 -0.72 0.00 0.00 41.12 36.07 1bfi n ASP 95 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1bfi n SER 96 N -2.64 0.00 -3.01 1.67 7.64 -1.11 -4.90 113.62 111.27 1bfi n SER 96 Ca -0.04 -0.74 -0.39 0.00 1.01 0.00 0.00 58.87 58.71 1bfi n SER 96 Cb 0.57 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.80 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 0.00 7.20 -3.74 -3.43 4.77 -1.18 -4.81 117.00 115.81 1bfi n LEU 97 Ca 0.00 -4.99 -0.42 0.00 -0.03 0.00 0.00 56.01 50.57 1bfi n LEU 97 Cb 0.19 -1.02 -0.01 0.00 -2.33 0.00 0.00 43.42 40.24 1bfi n LEU 97 CO 0.00 1.87 2.55 0.59 -1.33 0.00 0.00 177.39 181.07 1bfi n ASN 98 N -0.44 3.63 -3.76 -1.43 3.02 -1.26 0.52 115.26 115.54 1bfi n ASN 98 Ca 0.51 -2.81 -0.12 0.00 -0.03 0.00 0.00 54.58 52.13 1bfi n ASN 98 Cb 0.28 -1.56 -0.08 0.00 -0.61 0.00 0.00 39.78 37.81 1bfi n ASN 98 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1bfi s VAL 99 N 3.63 0.07 0.19 2.41 1.01 -1.26 -4.91 120.40 121.55 1bfi s VAL 99 Ca 0.49 -0.61 0.09 0.00 0.00 0.00 0.00 61.98 61.95 1bfi s VAL 99 Cb 0.14 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1bfi s VAL 99 CO -0.04 -0.34 -0.18 0.42 0.00 0.00 0.00 175.10 174.96 1bfi s THR 100 N -2.09 1.94 -1.42 3.92 -4.23 -1.26 -2.14 115.64 110.37 1bfi s THR 100 Ca -0.08 -2.07 -0.13 0.00 -1.18 0.00 0.00 61.69 58.23 1bfi s THR 100 Cb -0.03 -1.98 0.07 0.00 1.34 0.00 0.00 72.50 71.90 1bfi s THR 100 CO -0.00 -0.38 2.17 0.18 -0.54 0.00 0.00 174.62 176.05 1bfi n LEU 101 N -0.01 6.91 -0.01 4.79 4.77 -1.19 -4.47 117.00 127.79 1bfi n LEU 101 Ca -0.11 -4.29 0.08 0.00 -0.03 0.00 0.00 56.01 51.66 1bfi n LEU 101 Cb 0.58 -1.60 -0.12 0.00 -2.33 0.00 0.00 43.42 39.95 1bfi n LEU 101 CO 0.32 1.23 -0.61 0.00 -1.33 0.00 0.00 177.39 177.00 1bfi n ALA 102 N 5.36 2.78 -3.47 -1.18 0.00 -1.25 -4.03 120.51 118.72 1bfi n ALA 102 Ca 0.50 -0.39 -0.36 0.00 0.00 0.00 0.00 53.44 53.18 1bfi n ALA 102 Cb 0.37 -0.56 -0.13 0.00 0.00 0.00 0.00 19.45 19.13 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 -3.06 3.27 0.46 0.00 1.51 -0.85 -5.05 117.35 113.64 1bfi s TYR 103 Ca -0.05 -1.70 -0.25 0.00 -1.01 0.00 0.00 57.07 54.07 1bfi s TYR 103 Cb 0.11 -2.22 -0.08 0.00 -0.11 0.00 0.00 41.96 39.66 1bfi s TYR 103 CO 0.67 -0.78 1.37 -2.14 -1.11 0.00 0.00 175.55 173.57 1bfi s PRO 104 N 1.31 3.64 0.21 -1.71 0.02 -1.26 -1.51 135.00 135.71 1bfi s PRO 104 Ca -0.03 2.28 -0.03 0.00 0.02 0.00 0.00 61.00 63.24 1bfi s PRO 104 Cb -0.20 -2.58 0.19 0.00 0.02 0.00 0.00 34.50 31.93 1bfi s PRO 104 CO 0.00 -0.80 1.60 -0.24 -0.33 0.00 0.00 177.00 177.23 1bfi h VAL 105 N 2.14 1.28 -1.11 3.83 3.04 -0.71 -3.07 116.25 121.65 1bfi h VAL 105 Ca -0.50 -1.45 -0.64 0.00 -1.01 0.00 0.00 66.70 63.10 1bfi h VAL 105 Cb 1.27 1.38 -0.35 0.00 -2.01 0.00 0.00 31.29 31.58 1bfi h VAL 105 CO 0.61 0.47 0.14 -1.22 -1.01 0.00 0.00 177.57 176.56 1bfi n TYR 106 N -4.07 3.06 -1.68 3.17 4.01 0.78 -5.02 117.16 117.40 1bfi n TYR 106 Ca -0.01 -2.67 -0.46 0.00 -0.16 0.00 0.00 57.90 54.60 1bfi n TYR 106 Cb 0.48 -0.88 -0.04 0.00 -0.31 0.00 0.00 39.34 38.58 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 -0.75 1.34 -2.62 -0.72 0.00 -1.16 -4.26 120.51 112.33 1bfi n ALA 107 Ca 0.53 0.37 -0.20 0.00 0.00 0.00 0.00 53.44 54.14 1bfi n ALA 107 Cb 0.71 -2.43 -0.14 0.00 0.00 0.00 0.00 19.45 17.58 1bfi n ALA 107 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1bfi s GLN 108 N 2.18 0.95 -0.21 0.00 -0.21 -1.26 -5.08 119.66 116.04 1bfi s GLN 108 Ca 0.84 -0.51 -0.09 0.00 0.02 0.00 0.00 55.36 55.62 1bfi s GLN 108 Cb -0.65 -0.93 -0.04 0.00 1.00 0.00 0.00 33.01 32.38 1bfi s GLN 108 CO 0.42 0.25 0.10 -1.14 -2.12 0.00 0.00 175.29 172.80 1bfi s GLN 109 N -0.51 4.00 0.06 2.91 2.00 -1.26 -4.90 119.66 121.96 1bfi s GLN 109 Ca 0.04 -0.32 0.05 0.00 -2.00 0.00 0.00 55.36 53.13 1bfi s GLN 109 Cb -0.05 -3.36 -0.03 0.00 0.80 0.00 0.00 33.01 30.37 1bfi s GLN 109 CO -0.00 0.16 -0.15 0.50 -0.50 0.00 0.00 175.29 175.30 1bfi s ARG 110 N 0.73 0.88 0.00 1.67 3.52 -1.26 -5.22 118.95 119.26 1bfi s ARG 110 Ca 0.05 -0.91 0.00 0.00 -0.13 0.00 0.00 55.73 54.75 1bfi s ARG 110 Cb -0.13 -0.91 0.00 0.00 -1.56 0.00 0.00 34.95 32.35 1bfi s ARG 110 CO 0.02 0.21 0.21 0.54 -0.81 0.00 0.00 175.30 175.46