#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 6.54 0.16 -1.84 1.01 -1.26 -4.99 116.67 116.29 1bfi s ASP 2 Ca 0.00 2.75 -0.14 0.00 0.71 0.00 0.00 52.55 55.87 1bfi s ASP 2 Cb 0.00 -2.62 -0.07 0.00 1.01 0.00 0.00 42.92 41.24 1bfi s ASP 2 CO 0.00 -0.81 0.55 -0.76 0.21 0.00 0.00 175.17 174.36 1bfi s LEU 3 N 0.07 4.31 0.00 1.23 1.43 -1.26 -4.95 118.68 119.52 1bfi s LEU 3 Ca 0.64 1.06 0.06 0.00 -1.03 0.00 0.00 54.13 54.86 1bfi s LEU 3 Cb -0.45 -3.33 0.31 0.00 0.03 0.00 0.00 46.19 42.76 1bfi s LEU 3 CO 0.41 0.08 1.10 -0.81 0.23 0.00 0.00 176.35 177.35 1bfi n PRO 4 N 0.68 0.07 0.28 1.29 -0.04 -1.26 -2.33 135.00 133.69 1bfi n PRO 4 Ca -0.05 0.27 0.17 0.00 -0.04 0.00 0.00 63.50 63.85 1bfi n PRO 4 Cb 0.52 -1.50 0.78 0.00 -0.04 0.00 0.00 33.50 33.26 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 -0.44 0.54 3.86 -1.96 -1.95 115.15 115.20 1bfi h HIS 5 Ca 0.00 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1bfi h HIS 5 Cb 0.07 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 1bfi h HIS 5 CO 0.00 0.05 0.29 0.45 0.86 0.00 0.00 177.93 179.58 1bfi h HIS 6 N 0.00 0.53 -3.45 2.45 3.86 -1.88 -3.39 115.15 113.28 1bfi h HIS 6 Ca -0.00 0.01 -0.60 0.00 -1.16 0.00 0.00 60.37 58.62 1bfi h HIS 6 Cb 0.41 -0.18 -0.12 0.00 1.06 0.00 0.00 27.41 28.57 1bfi h HIS 6 CO 0.00 0.33 -0.36 0.34 0.86 0.00 0.00 177.93 179.10 1bfi s ASP 7 N -6.63 6.31 0.40 2.45 -1.08 -0.73 -4.96 116.67 112.43 1bfi s ASP 7 Ca -0.08 0.35 0.16 0.00 -0.52 0.00 0.00 52.55 52.46 1bfi s ASP 7 Cb 0.18 -2.16 0.83 0.00 -1.46 0.00 0.00 42.92 40.30 1bfi s ASP 7 CO 0.73 0.04 1.85 -0.08 0.52 0.00 0.00 175.17 178.23 1bfi h GLU 8 N 7.19 0.00 0.00 4.34 4.81 -1.82 -2.92 114.58 126.18 1bfi h GLU 8 Ca -0.38 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.83 1bfi h GLU 8 Cb 1.16 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 1bfi h GLU 8 CO 0.71 0.33 -0.09 -0.22 -0.73 0.00 0.00 179.01 179.02 1bfi h LYS 9 N 0.00 0.00 0.00 1.92 3.11 -1.91 0.18 116.57 119.87 1bfi h LYS 9 Ca -0.00 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.81 1bfi h LYS 9 Cb 0.66 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.89 1bfi h LYS 9 CO 0.04 0.09 -0.13 1.79 -2.81 0.00 0.00 179.45 178.44 1bfi h THR 10 N 0.00 1.06 0.00 1.00 1.35 -1.65 -3.34 112.91 111.33 1bfi h THR 10 Ca -0.00 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1bfi h THR 10 Cb 0.19 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1bfi h THR 10 CO 0.01 0.12 -0.81 -2.67 -0.25 0.00 0.00 175.52 171.93 1bfi n TRP 11 N -4.35 0.00 -2.40 4.73 4.27 -1.05 -0.01 117.44 118.63 1bfi n TRP 11 Ca -0.03 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.17 1bfi n TRP 11 Cb 0.20 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.12 1bfi n TRP 11 CO 0.00 0.00 0.00 -0.80 -2.29 0.00 0.00 177.69 174.60 1bfi s ASN 12 N -2.76 7.07 -0.00 -0.67 0.02 0.60 0.80 114.94 120.00 1bfi s ASN 12 Ca 0.00 2.06 0.04 0.00 -1.02 0.00 0.00 52.86 53.95 1bfi s ASN 12 Cb 0.00 -2.58 -0.05 0.00 0.02 0.00 0.00 41.25 38.64 1bfi s ASN 12 CO 0.00 -0.46 0.18 0.52 0.02 0.00 0.00 177.10 177.36 1bfi n VAL 13 N 3.70 0.00 -1.84 1.60 0.31 -0.87 -4.61 118.33 116.63 1bfi n VAL 13 Ca 0.08 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1bfi n VAL 13 Cb 0.46 0.93 0.00 0.00 -0.91 0.00 0.00 33.84 34.32 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 1.24 -0.57 3.59 2.92 0.00 -1.26 -4.77 105.19 106.34 1bfi n GLY 14 Ca 0.01 -1.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 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 6.62 0.02 1.61 1.04 -1.26 -4.26 113.70 113.47 1bfi s SER 15 Ca 0.00 0.41 0.06 0.00 0.48 0.00 0.00 55.95 56.91 1bfi s SER 15 Cb 0.00 -2.48 -0.02 0.00 0.10 0.00 0.00 66.02 63.62 1bfi s SER 15 CO 0.00 -1.00 -0.19 -0.44 0.98 0.00 0.00 173.24 172.59 1bfi s SER 16 N 2.12 2.21 0.53 7.02 0.01 -1.26 -5.09 113.70 119.24 1bfi s SER 16 Ca 0.40 -0.44 -0.21 0.00 1.31 0.00 0.00 55.95 57.02 1bfi s SER 16 Cb -0.10 -0.20 -0.05 0.00 0.21 0.00 0.00 66.02 65.87 1bfi s SER 16 CO 0.24 0.16 1.20 0.21 0.41 0.00 0.00 173.24 175.46 1bfi s ASN 17 N -0.88 5.64 0.23 2.44 3.84 -1.26 -4.80 114.94 120.15 1bfi s ASN 17 Ca 0.06 2.36 -0.07 0.00 0.21 0.00 0.00 52.86 55.43 1bfi s ASN 17 Cb -0.08 -2.60 0.21 0.00 -0.55 0.00 0.00 41.25 38.23 1bfi s ASN 17 CO 0.01 -1.29 1.87 0.03 -2.79 0.00 0.00 177.10 174.93 1bfi h ARG 18 N 1.40 1.24 -0.29 0.43 3.08 -1.99 0.15 114.38 118.42 1bfi h ARG 18 Ca -0.50 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.41 1bfi h ARG 18 Cb 1.27 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 31.05 1bfi h ARG 18 CO 0.57 0.88 0.11 -2.95 -1.07 0.00 0.00 179.97 177.51 1bfi h ASN 19 N 1.26 0.36 0.52 7.04 7.08 -2.01 -1.57 115.58 128.26 1bfi h ASN 19 Ca 0.33 -0.03 -0.24 0.00 -3.08 0.00 0.00 56.30 53.27 1bfi h ASN 19 Cb -0.03 -0.09 0.00 0.00 -2.08 0.00 0.00 38.32 36.12 1bfi h ASN 19 CO -0.06 0.34 -1.06 0.50 -2.08 0.00 0.00 177.43 175.07 1bfi h LYS 20 N 0.40 0.30 -0.45 4.14 1.63 -1.57 -3.11 116.57 117.91 1bfi h LYS 20 Ca 0.10 -0.40 0.00 0.00 -0.85 0.00 0.00 60.65 59.50 1bfi h LYS 20 Cb 0.09 0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.83 1bfi h LYS 20 CO -0.01 1.12 0.30 0.00 -3.45 0.00 0.00 179.45 177.41 1bfi h ALA 21 N 0.72 0.57 -0.40 5.00 0.00 0.19 0.29 119.26 125.63 1bfi h ALA 21 Ca -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1bfi h ALA 21 Cb 1.74 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 1bfi h ALA 21 CO 0.17 0.03 0.26 1.05 0.00 0.00 0.00 179.25 180.76 1bfi h GLU 22 N 0.61 0.53 -0.81 0.00 4.11 -1.40 0.57 114.58 118.19 1bfi h GLU 22 Ca 0.17 -0.03 0.08 0.00 0.07 0.00 0.00 59.36 59.64 1bfi h GLU 22 Cb -0.06 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.00 1bfi h GLU 22 CO -0.04 0.36 0.48 -0.91 0.07 0.00 0.00 179.01 178.97 1bfi h ASN 23 N 0.54 0.71 0.48 3.06 2.35 -1.34 2.48 115.58 123.85 1bfi h ASN 23 Ca 0.15 0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.84 1bfi h ASN 23 Cb -0.05 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1bfi h ASN 23 CO -0.03 0.43 -0.45 -0.07 -1.65 0.00 0.00 177.43 175.65 1bfi h LEU 24 N 0.83 0.00 -0.01 1.61 3.38 0.27 -2.51 115.31 118.89 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 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1bfi h LEU 24 CO -0.21 0.45 -0.58 0.18 0.09 0.00 0.00 178.44 178.37 1bfi n LEU 25 N -3.96 0.59 -4.68 1.67 4.77 0.19 -4.67 117.00 110.91 1bfi n LEU 25 Ca -0.02 -0.09 -0.39 0.00 -0.03 0.00 0.00 56.01 55.49 1bfi n LEU 25 Cb 0.48 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.30 1bfi n LEU 25 CO 0.40 0.15 0.27 -0.60 -1.33 0.00 0.00 177.39 176.27 1bfi s ARG 26 N -2.99 4.25 0.00 3.23 3.52 0.80 -3.68 118.95 124.08 1bfi s ARG 26 Ca 0.11 0.50 0.00 0.00 -0.13 0.00 0.00 55.73 56.21 1bfi s ARG 26 Cb 0.17 -3.53 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 1bfi s ARG 26 CO 0.73 -0.08 0.00 0.41 -0.81 0.00 0.00 175.30 175.54 1bfi n GLY 27 N 3.66 0.63 3.86 8.12 0.00 -1.26 -4.88 105.19 115.33 1bfi n GLY 27 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.81 3.65 0.55 1.61 -0.14 -1.24 -5.07 119.74 118.28 1bfi s LYS 28 Ca 0.00 0.09 -0.18 0.00 -1.36 0.00 0.00 55.97 54.51 1bfi s LYS 28 Cb 0.00 -3.17 -0.06 0.00 -1.68 0.00 0.00 37.83 32.92 1bfi s LYS 28 CO 0.00 0.71 1.08 1.03 -0.76 0.00 0.00 175.35 177.41 1bfi s ARG 29 N -1.23 3.45 0.53 1.68 0.52 -1.26 -4.93 118.95 117.71 1bfi s ARG 29 Ca 0.21 1.39 -0.20 0.00 -0.52 0.00 0.00 55.73 56.61 1bfi s ARG 29 Cb -0.14 -2.04 -0.09 0.00 0.52 0.00 0.00 34.95 33.20 1bfi s ARG 29 CO 0.10 -0.73 0.74 -0.25 0.02 0.00 0.00 175.30 175.18 1bfi n ASP 30 N -1.48 -0.09 0.00 0.23 8.00 -1.26 -2.37 116.55 119.58 1bfi n ASP 30 Ca 0.10 0.84 0.00 0.00 0.71 0.00 0.00 54.79 56.44 1bfi n ASP 30 Cb 0.52 -1.26 0.00 0.00 -0.02 0.00 0.00 41.12 40.37 1bfi n ASP 30 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bfi n GLY 31 N 1.54 3.33 3.66 0.44 0.00 -1.08 -5.01 105.19 108.07 1bfi n GLY 31 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.90 4.92 0.20 2.61 2.01 -1.00 -2.03 115.64 119.44 1bfi s THR 32 Ca 0.00 1.45 0.01 0.00 0.31 0.00 0.00 61.69 63.46 1bfi s THR 32 Cb 0.00 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.40 1bfi s THR 32 CO 0.00 0.02 0.06 0.72 -0.69 0.00 0.00 174.62 174.74 1bfi s PHE 33 N 2.29 1.24 0.06 4.92 -0.71 -0.80 -2.55 117.98 122.43 1bfi s PHE 33 Ca 0.34 -1.17 -0.02 0.00 -1.04 0.00 0.00 56.93 55.04 1bfi s PHE 33 Cb -0.16 -0.70 -0.04 0.00 -1.21 0.00 0.00 43.02 40.92 1bfi s PHE 33 CO 0.10 -0.37 -0.01 -0.48 -1.34 0.00 0.00 175.22 173.12 1bfi s LEU 34 N -3.19 2.38 -0.18 -1.99 0.05 -0.03 -2.24 118.68 113.47 1bfi s LEU 34 Ca 0.31 -0.97 -0.04 0.00 0.05 0.00 0.00 54.13 53.48 1bfi s LEU 34 Cb 0.07 0.28 -0.02 0.00 -2.05 0.00 0.00 46.19 44.47 1bfi s LEU 34 CO 0.08 -0.61 -0.04 -0.69 -0.55 0.00 0.00 176.35 174.53 1bfi s VAL 35 N -3.92 3.65 0.14 1.48 1.01 0.24 -1.07 120.40 121.93 1bfi s VAL 35 Ca 0.07 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1bfi s VAL 35 Cb 0.08 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 1bfi s VAL 35 CO -0.10 0.46 0.16 -2.11 0.00 0.00 0.00 175.10 173.51 1bfi n ARG 36 N 4.09 0.23 -3.44 2.72 1.85 0.12 -2.05 116.66 120.18 1bfi n ARG 36 Ca -0.18 -1.30 -0.21 0.00 -1.00 0.00 0.00 57.85 55.17 1bfi n ARG 36 Cb 0.52 1.14 -0.00 0.00 -1.05 0.00 0.00 32.46 33.07 1bfi n ARG 36 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 1bfi s GLU 37 N -2.46 2.47 0.00 2.89 -1.05 -1.26 0.20 118.70 119.49 1bfi s GLU 37 Ca 0.15 -1.62 0.00 0.00 -0.15 0.00 0.00 54.97 53.35 1bfi s GLU 37 Cb 0.00 -2.43 0.00 0.00 -0.44 0.00 0.00 34.13 31.26 1bfi s GLU 37 CO 0.10 -0.43 0.66 0.43 0.95 0.00 0.00 175.26 176.97 1bfi n SER 38 N -1.78 0.35 0.00 0.83 7.64 -1.17 -4.63 113.62 114.87 1bfi n SER 38 Ca 0.06 -1.67 0.00 0.00 1.01 0.00 0.00 58.87 58.26 1bfi n SER 38 Cb 0.62 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1bfi n SER 38 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1bfi n SER 39 N -0.25 0.00 -4.64 6.43 3.41 -1.26 -5.04 113.62 112.26 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 0.09 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.00 4.09 0.46 4.33 2.20 -1.26 -4.91 119.74 124.66 1bfi s LYS 40 Ca 0.00 0.03 0.12 0.00 -0.36 0.00 0.00 55.97 55.77 1bfi s LYS 40 Cb 0.00 -3.58 0.68 0.00 -1.51 0.00 0.00 37.83 33.42 1bfi s LYS 40 CO 0.00 -0.10 1.29 0.37 -0.36 0.00 0.00 175.35 176.55 1bfi h GLN 41 N 7.70 0.00 -0.56 4.03 -0.00 -1.96 0.20 115.11 124.52 1bfi h GLN 41 Ca -0.35 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.24 1bfi h GLN 41 Cb 1.16 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.62 1bfi h GLN 41 CO 0.67 0.00 0.11 0.78 0.00 0.00 0.00 178.83 180.39 1bfi h GLY 42 N 0.00 0.94 -3.94 2.39 0.00 -2.01 -3.43 103.07 97.02 1bfi h GLY 42 Ca 0.00 -0.57 -0.63 0.00 0.00 0.00 0.00 47.33 46.12 1bfi h GLY 42 CO 0.00 0.53 -0.69 0.00 0.00 0.00 0.00 176.54 176.38 1bfi s TYR 44 N -1.49 2.57 -0.21 0.00 2.02 -0.86 -3.04 117.35 116.34 1bfi s TYR 44 Ca 0.25 -0.25 -0.18 0.00 -0.37 0.00 0.00 57.07 56.52 1bfi s TYR 44 Cb -0.10 -1.23 0.06 0.00 -0.40 0.00 0.00 41.96 40.29 1bfi s TYR 44 CO 0.17 0.54 0.55 0.00 -1.57 0.00 0.00 175.55 175.24 1bfi s ALA 45 N -1.86 -1.38 -0.18 3.71 0.00 0.54 0.14 121.76 122.73 1bfi s ALA 45 Ca 0.26 1.61 -0.03 0.00 0.00 0.00 0.00 51.96 53.80 1bfi s ALA 45 Cb -0.08 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 22.08 1bfi s ALA 45 CO 0.15 -0.27 -0.05 0.00 0.00 0.00 0.00 175.76 175.59 1bfi s SER 47 N 0.88 5.00 0.20 0.00 0.15 -0.23 -0.86 113.70 118.84 1bfi s SER 47 Ca -0.01 0.05 0.03 0.00 0.70 0.00 0.00 55.95 56.72 1bfi s SER 47 Cb -0.15 -1.44 -0.05 0.00 -1.71 0.00 0.00 66.02 62.67 1bfi s SER 47 CO 0.01 0.34 -0.02 0.54 1.20 0.00 0.00 173.24 175.30 1bfi s VAL 48 N -0.63 0.99 -0.17 4.45 0.11 -1.01 -0.85 120.40 123.29 1bfi s VAL 48 Ca 0.10 -2.03 -0.04 0.00 -2.93 0.00 0.00 61.98 57.08 1bfi s VAL 48 Cb -0.12 -2.20 -0.02 0.00 -1.53 0.00 0.00 36.38 32.51 1bfi s VAL 48 CO 0.02 -0.44 -0.04 -0.69 -3.33 0.00 0.00 175.10 170.62 1bfi s VAL 49 N -3.45 3.73 0.26 2.04 1.01 -1.06 -0.83 120.40 122.11 1bfi s VAL 49 Ca 0.25 -0.40 -0.21 0.00 0.00 0.00 0.00 61.98 61.62 1bfi s VAL 49 Cb 0.05 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 33.81 1bfi s VAL 49 CO 0.06 0.47 0.71 0.54 0.00 0.00 0.00 175.10 176.88 1bfi s VAL 50 N 0.66 0.00 -0.09 2.92 0.11 -0.87 -2.63 120.40 120.50 1bfi s VAL 50 Ca -0.02 -0.87 0.00 0.00 -2.93 0.00 0.00 61.98 58.16 1bfi s VAL 50 Cb -0.14 -1.87 0.00 0.00 -1.53 0.00 0.00 36.38 32.84 1bfi s VAL 50 CO 0.02 0.00 0.00 -0.67 -3.33 0.00 0.00 175.10 171.12 1bfi n ASP 51 N -0.45 -0.66 0.00 3.54 2.03 -1.26 0.19 116.55 119.95 1bfi n ASP 51 Ca -0.06 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1bfi n ASP 51 Cb 0.60 -0.90 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 1bfi n ASP 51 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bfi n GLY 52 N -0.23 1.36 3.34 0.27 0.00 -1.26 -5.00 105.19 103.67 1bfi n GLY 52 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1bfi n GLY 52 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bfi s GLU 53 N -0.01 1.87 -0.08 1.61 2.56 0.51 -5.10 118.70 120.06 1bfi s GLU 53 Ca 0.00 -1.08 -0.27 0.00 0.00 0.00 0.00 54.97 53.62 1bfi s GLU 53 Cb 0.00 -2.00 -0.02 0.00 2.00 0.00 0.00 34.13 34.11 1bfi s GLU 53 CO 0.00 0.52 0.88 0.08 -0.56 0.00 0.00 175.26 176.19 1bfi s VAL 54 N -0.77 4.90 0.23 3.70 1.01 -1.26 -2.06 120.40 126.14 1bfi s VAL 54 Ca 0.11 1.81 0.08 0.00 0.00 0.00 0.00 61.98 63.99 1bfi s VAL 54 Cb -0.10 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1bfi s VAL 54 CO 0.02 0.12 0.06 -0.54 0.00 0.00 0.00 175.10 174.75 1bfi s LYS 55 N 1.42 2.52 -0.53 2.72 3.01 -0.01 -5.00 119.74 123.87 1bfi s LYS 55 Ca 0.45 -1.20 0.06 0.00 -1.01 0.00 0.00 55.97 54.26 1bfi s LYS 55 Cb -0.19 -2.35 0.22 0.00 -1.01 0.00 0.00 37.83 34.51 1bfi s LYS 55 CO 0.20 0.41 0.55 0.72 0.51 0.00 0.00 175.35 177.73 1bfi n HIS 56 N -0.71 1.38 -1.95 3.18 8.25 -1.26 -2.40 115.22 121.71 1bfi n HIS 56 Ca -0.08 -3.83 -0.41 0.00 -0.26 0.00 0.00 57.72 53.14 1bfi n HIS 56 Cb 0.57 -0.34 -0.02 0.00 1.12 0.00 0.00 29.99 31.33 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 -0.40 5.28 0.05 0.00 0.11 -1.26 -0.04 120.40 124.14 1bfi s VAL 58 Ca 0.57 0.51 0.08 0.00 -2.93 0.00 0.00 61.98 60.22 1bfi s VAL 58 Cb -0.43 -3.55 -0.03 0.00 -1.53 0.00 0.00 36.38 30.84 1bfi s VAL 58 CO 0.49 0.60 -0.23 -0.63 -3.33 0.00 0.00 175.10 172.00 1bfi s ILE 59 N -1.03 2.45 0.28 7.04 -1.09 0.38 -4.77 121.20 124.46 1bfi s ILE 59 Ca 0.19 -1.31 0.09 0.00 -2.23 0.00 0.00 60.65 57.39 1bfi s ILE 59 Cb -0.14 -2.00 -0.04 0.00 -1.58 0.00 0.00 42.46 38.70 1bfi s ILE 59 CO 0.08 0.34 0.04 0.20 -1.23 0.00 0.00 174.94 174.37 1bfi s ASN 60 N -1.37 4.63 -0.12 3.58 0.02 -1.09 -2.02 114.94 118.57 1bfi s ASN 60 Ca 0.13 -0.65 0.17 0.00 -1.02 0.00 0.00 52.86 51.49 1bfi s ASN 60 Cb -0.10 -0.86 0.28 0.00 0.02 0.00 0.00 41.25 40.59 1bfi s ASN 60 CO 0.04 -0.06 1.14 2.29 0.02 0.00 0.00 177.10 180.53 1bfi n LYS 61 N -0.97 1.18 -3.68 -0.60 2.85 -1.26 -1.34 118.16 114.35 1bfi n LYS 61 Ca -0.06 -2.50 -0.27 0.00 -1.05 0.00 0.00 58.31 54.43 1bfi n LYS 61 Cb 0.59 -1.40 -0.03 0.00 -0.65 0.00 0.00 35.03 33.54 1bfi n LYS 61 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1bfi s THR 62 N -2.61 5.19 0.22 0.58 2.01 -1.26 -4.74 115.64 115.03 1bfi s THR 62 Ca 0.30 -0.36 -0.16 0.00 0.31 0.00 0.00 61.69 61.77 1bfi s THR 62 Cb 0.26 -3.74 0.23 0.00 0.01 0.00 0.00 72.50 69.27 1bfi s THR 62 CO 0.02 -0.19 1.58 0.00 -0.69 0.00 0.00 174.62 175.34 1bfi h ALA 63 N 1.94 0.22 -0.01 7.40 0.00 -2.00 1.54 119.26 128.34 1bfi h ALA 63 Ca -0.48 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1bfi h ALA 63 Cb 1.19 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1bfi h ALA 63 CO 0.68 -0.56 -0.03 2.41 0.00 0.00 0.00 179.25 181.74 1bfi n THR 64 N -5.48 0.00 0.00 0.00 -1.04 -1.26 -4.60 114.28 101.91 1bfi n THR 64 Ca 0.08 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1bfi n THR 64 Cb 0.38 0.40 0.00 0.00 -1.82 0.00 0.00 70.33 69.29 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 1.19 1.86 1.18 3.41 0.00 0.52 -4.72 105.19 108.63 1bfi n GLY 65 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 -2.44 -0.18 1.61 4.01 -0.45 -3.93 117.16 115.78 1bfi n TYR 66 Ca 0.00 0.55 -0.09 0.00 -0.16 0.00 0.00 57.90 58.20 1bfi n TYR 66 Cb 0.00 -1.01 0.04 0.00 -0.31 0.00 0.00 39.34 38.06 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 -0.41 1.09 0.00 2.72 0.00 -1.89 -2.88 103.07 101.70 1bfi h GLY 67 Ca 0.01 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1bfi h GLY 67 CO 0.00 0.77 -0.05 0.69 0.00 0.00 0.00 176.54 177.95 1bfi n PHE 68 N -4.16 -1.31 -2.26 5.60 3.72 -1.25 -4.85 117.46 112.94 1bfi n PHE 68 Ca 0.02 0.23 -0.13 0.00 -0.05 0.00 0.00 57.45 57.53 1bfi n PHE 68 Cb 0.38 0.33 -0.00 0.00 -0.94 0.00 0.00 39.48 39.24 1bfi n PHE 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bfi n ALA 69 N -3.41 -0.38 -1.47 4.37 0.00 -1.26 -4.87 120.51 113.50 1bfi n ALA 69 Ca 0.00 0.10 -0.33 0.00 0.00 0.00 0.00 53.44 53.22 1bfi n ALA 69 Cb 0.03 -1.56 0.06 0.00 0.00 0.00 0.00 19.45 17.97 1bfi n ALA 69 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1bfi s GLU 70 N -4.65 2.68 0.65 0.00 0.41 -1.26 -4.80 118.70 111.72 1bfi s GLU 70 Ca 0.01 1.41 0.12 0.00 -0.41 0.00 0.00 54.97 56.09 1bfi s GLU 70 Cb -0.00 -1.93 0.53 0.00 -1.78 0.00 0.00 34.13 30.95 1bfi s GLU 70 CO 0.01 -1.35 1.27 -1.35 -0.49 0.00 0.00 175.26 173.34 1bfi h PRO 71 N -0.12 0.00 0.00 0.39 0.11 -2.03 0.65 132.00 131.00 1bfi h PRO 71 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1bfi h PRO 71 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1bfi h PRO 71 CO 0.53 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.98 1bfi n TYR 72 N -2.77 0.00 -1.38 0.65 4.01 -1.26 -4.96 117.16 111.45 1bfi n TYR 72 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1bfi n TYR 72 Cb 0.97 -0.35 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 1bfi n TYR 72 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1bfi n ASN 73 N -1.35 -7.57 0.00 7.72 5.15 0.23 -4.97 115.26 114.48 1bfi n ASN 73 Ca 0.05 1.17 0.00 0.00 -0.60 0.00 0.00 54.58 55.20 1bfi n ASN 73 Cb 0.11 -4.09 0.00 0.00 -0.53 0.00 0.00 39.78 35.27 1bfi n ASN 73 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1bfi n LEU 74 N -1.17 0.00 0.00 1.20 4.77 -1.26 -4.92 117.00 115.62 1bfi n LEU 74 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1bfi n LEU 74 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1bfi n LEU 74 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.39 174.84 1bfi n TYR 75 N 0.00 -0.23 -0.15 -1.77 4.02 -1.26 -5.06 117.16 112.71 1bfi n TYR 75 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.78 1bfi n TYR 75 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.31 1bfi n TYR 75 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1bfi h SER 76 N 0.00 0.94 -4.87 7.72 0.87 -2.00 -3.46 113.55 112.75 1bfi h SER 76 Ca 0.00 -0.38 -0.19 0.00 -1.23 0.00 0.00 61.79 59.99 1bfi h SER 76 Cb 0.00 -0.26 -0.16 0.00 -0.44 0.00 0.00 62.40 61.54 1bfi h SER 76 CO 0.00 1.11 -0.70 -0.55 -0.53 0.00 0.00 176.83 176.16 1bfi s SER 77 N -6.59 0.82 0.55 6.23 0.15 -1.26 -5.01 113.70 108.58 1bfi s SER 77 Ca -0.12 -0.90 0.21 0.00 0.70 0.00 0.00 55.95 55.84 1bfi s SER 77 Cb 0.11 0.12 1.47 0.00 -1.71 0.00 0.00 66.02 66.02 1bfi s SER 77 CO 0.85 -0.46 2.18 -0.07 1.20 0.00 0.00 173.24 176.93 1bfi h LEU 78 N 3.36 0.00 -0.85 3.45 3.38 -2.00 -1.13 115.31 121.52 1bfi h LEU 78 Ca -0.35 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.75 1bfi h LEU 78 Cb 1.17 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.83 1bfi h LEU 78 CO 0.60 0.00 0.46 0.11 0.09 0.00 0.00 178.44 179.70 1bfi h LYS 79 N 0.00 0.67 -0.54 1.13 1.57 -1.95 0.54 116.57 118.00 1bfi h LYS 79 Ca 0.01 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1bfi h LYS 79 Cb 0.06 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1bfi h LYS 79 CO -0.00 0.44 0.12 1.49 -0.57 0.00 0.00 179.45 180.93 1bfi h GLU 80 N 0.69 0.83 -0.23 3.15 4.22 -1.62 -1.32 114.58 120.30 1bfi h GLU 80 Ca 0.44 -0.18 0.01 0.00 0.08 0.00 0.00 59.36 59.72 1bfi h GLU 80 Cb 0.55 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1bfi h GLU 80 CO -0.32 0.76 0.12 1.25 -2.18 0.00 0.00 179.01 178.64 1bfi h LEU 81 N 0.80 0.19 -1.03 1.64 6.46 0.06 0.76 115.31 124.19 1bfi h LEU 81 Ca 0.17 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1bfi h LEU 81 Cb 0.31 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.17 1bfi h LEU 81 CO 0.00 0.14 0.55 0.58 -0.62 0.00 0.00 178.44 179.10 1bfi h VAL 82 N 0.26 1.24 -0.38 1.05 2.07 -0.68 -1.75 116.25 118.06 1bfi h VAL 82 Ca 0.09 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 1bfi h VAL 82 Cb 0.01 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.72 1bfi h VAL 82 CO -0.05 0.25 0.01 -0.07 0.02 0.00 0.00 177.57 177.73 1bfi h LEU 83 N 1.24 0.56 -0.30 2.57 3.38 -0.24 -2.88 115.31 119.64 1bfi h LEU 83 Ca 0.32 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.23 1bfi h LEU 83 Cb -0.07 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 1bfi h LEU 83 CO -0.06 0.63 0.05 0.45 0.09 0.00 0.00 178.44 179.59 1bfi h HIS 84 N 0.57 0.07 -0.01 1.13 3.86 0.05 -0.08 115.15 120.75 1bfi h HIS 84 Ca 0.12 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.33 1bfi h HIS 84 Cb 0.35 0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.83 1bfi h HIS 84 CO 0.01 0.01 -0.08 1.88 0.86 0.00 0.00 177.93 180.61 1bfi h TYR 85 N 0.15 0.01 -0.46 2.45 -1.99 -1.46 -0.04 116.97 115.63 1bfi h TYR 85 Ca 0.14 -0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.86 1bfi h TYR 85 Cb 0.16 -0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.86 1bfi h TYR 85 CO -0.18 0.09 0.25 0.37 -0.00 0.00 0.00 178.16 178.70 1bfi h GLN 86 N 0.01 0.63 0.00 4.88 4.15 -0.86 -2.31 115.11 121.62 1bfi h GLN 86 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1bfi h GLN 86 Cb 0.15 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.71 1bfi h GLN 86 CO 0.01 0.47 -0.92 0.72 -1.93 0.00 0.00 178.83 177.18 1bfi n HIS 87 N -4.42 0.04 -4.78 3.99 8.25 -0.43 -4.64 115.22 113.25 1bfi n HIS 87 Ca 0.04 0.01 -0.33 0.00 -0.26 0.00 0.00 57.72 57.18 1bfi n HIS 87 Cb 0.10 -0.16 -0.14 0.00 1.12 0.00 0.00 29.99 30.90 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 -3.05 3.01 -0.08 1.59 2.01 -0.16 -5.08 115.64 113.87 1bfi s THR 88 Ca 0.07 -0.68 -0.30 0.00 0.31 0.00 0.00 61.69 61.10 1bfi s THR 88 Cb 0.16 -2.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 1bfi s THR 88 CO 0.82 0.52 1.16 -0.55 -0.69 0.00 0.00 174.62 175.88 1bfi s SER 89 N 0.37 7.08 0.34 3.53 0.15 -1.26 -4.62 113.70 119.30 1bfi s SER 89 Ca -0.11 1.73 0.09 0.00 0.70 0.00 0.00 55.95 58.37 1bfi s SER 89 Cb -0.16 -2.56 0.62 0.00 -1.71 0.00 0.00 66.02 62.22 1bfi s SER 89 CO 0.06 -0.58 1.79 -0.07 1.20 0.00 0.00 173.24 175.64 1bfi h LEU 90 N 8.34 0.15 0.00 3.45 4.07 -1.03 -3.41 115.31 126.89 1bfi h LEU 90 Ca -0.32 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.59 1bfi h LEU 90 Cb 1.15 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.85 1bfi h LEU 90 CO 0.89 0.48 0.00 0.55 -1.08 0.00 0.00 178.44 179.28 1bfi n VAL 91 N -4.10 0.00 -2.72 1.22 3.14 2.12 -4.68 118.33 113.30 1bfi n VAL 91 Ca -0.01 0.00 0.10 0.00 -2.96 0.00 0.00 64.34 61.47 1bfi n VAL 91 Cb 0.41 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.16 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 0.00 -1.54 -0.13 1.45 7.27 -1.26 -2.60 117.38 120.58 1bfi n GLN 92 Ca 0.00 1.01 0.06 0.00 0.07 0.00 0.00 57.00 58.14 1bfi n GLN 92 Cb 0.00 -1.88 0.37 0.00 2.41 0.00 0.00 30.24 31.15 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 -0.71 0.68 -0.51 3.69 3.86 -2.02 0.16 115.15 120.31 1bfi h HIS 93 Ca 0.02 0.02 0.15 0.00 -1.16 0.00 0.00 60.37 59.39 1bfi h HIS 93 Cb 0.70 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.92 1bfi h HIS 93 CO 0.00 0.39 0.58 -0.91 0.86 0.00 0.00 177.93 178.85 1bfi h ASN 94 N 0.70 0.00 -0.46 2.45 -0.26 -1.93 -3.43 115.58 112.64 1bfi h ASN 94 Ca 0.26 0.00 -0.20 0.00 -0.56 0.00 0.00 56.30 55.80 1bfi h ASN 94 Cb 0.15 0.00 -0.08 0.00 -1.06 0.00 0.00 38.32 37.33 1bfi h ASN 94 CO -0.07 0.00 -0.18 0.47 -1.06 0.00 0.00 177.43 176.59 1bfi n ASP 95 N -3.60 -5.78 0.00 5.81 8.00 0.58 -4.69 116.55 116.86 1bfi n ASP 95 Ca 0.10 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.84 1bfi n ASP 95 Cb 0.78 -4.13 0.00 0.00 -0.02 0.00 0.00 41.12 37.74 1bfi n ASP 95 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1bfi n SER 96 N -1.18 0.74 -2.13 -2.24 3.41 -1.24 -4.69 113.62 106.28 1bfi n SER 96 Ca -0.10 -1.35 -0.26 0.00 -0.26 0.00 0.00 58.87 56.90 1bfi n SER 96 Cb 0.59 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.63 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 -0.18 6.90 -3.71 1.04 4.77 -1.09 -4.02 117.00 120.71 1bfi n LEU 97 Ca 0.00 -3.72 -0.42 0.00 -0.03 0.00 0.00 56.01 51.83 1bfi n LEU 97 Cb 0.38 -0.93 -0.02 0.00 -2.33 0.00 0.00 43.42 40.52 1bfi n LEU 97 CO 0.00 1.24 2.43 0.59 -1.33 0.00 0.00 177.39 180.32 1bfi n ASN 98 N -0.63 3.32 -3.44 -1.43 3.02 -1.26 0.54 115.26 115.38 1bfi n ASN 98 Ca 0.51 -2.77 -0.12 0.00 -0.03 0.00 0.00 54.58 52.17 1bfi n ASN 98 Cb 0.92 -1.44 -0.02 0.00 -0.61 0.00 0.00 39.78 38.63 1bfi n ASN 98 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1bfi s VAL 99 N 4.06 0.01 0.11 2.41 0.11 -1.26 -4.88 120.40 120.96 1bfi s VAL 99 Ca 0.52 -0.05 0.10 0.00 -2.93 0.00 0.00 61.98 59.62 1bfi s VAL 99 Cb 0.14 -1.01 -0.04 0.00 -1.53 0.00 0.00 36.38 33.94 1bfi s VAL 99 CO 0.00 -0.03 -0.25 0.42 -3.33 0.00 0.00 175.10 171.92 1bfi s THR 100 N -3.59 2.05 -1.03 5.04 -4.23 -1.26 -2.29 115.64 110.33 1bfi s THR 100 Ca 0.00 -1.63 -0.18 0.00 -1.18 0.00 0.00 61.69 58.70 1bfi s THR 100 Cb -0.01 -1.82 -0.09 0.00 1.34 0.00 0.00 72.50 71.93 1bfi s THR 100 CO -0.11 0.08 2.07 0.18 -0.54 0.00 0.00 174.62 176.29 1bfi n LEU 101 N 1.09 5.18 -0.03 4.79 4.77 -1.15 -4.44 117.00 127.21 1bfi n LEU 101 Ca -0.18 -3.34 0.01 0.00 -0.03 0.00 0.00 56.01 52.47 1bfi n LEU 101 Cb 0.53 -1.30 -0.15 0.00 -2.33 0.00 0.00 43.42 40.17 1bfi n LEU 101 CO 0.23 0.25 -0.81 0.00 -1.33 0.00 0.00 177.39 175.72 1bfi n ALA 102 N 6.72 2.18 -3.01 -1.18 0.00 -1.25 -4.03 120.51 119.93 1bfi n ALA 102 Ca 0.51 -0.82 -0.33 0.00 0.00 0.00 0.00 53.44 52.80 1bfi n ALA 102 Cb 0.38 -0.58 -0.14 0.00 0.00 0.00 0.00 19.45 19.11 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 -3.04 2.80 0.46 0.00 5.04 -0.86 -5.01 117.35 116.74 1bfi s TYR 103 Ca -0.08 -0.59 -0.21 0.00 -2.44 0.00 0.00 57.07 53.75 1bfi s TYR 103 Cb 0.10 -1.82 -0.09 0.00 0.35 0.00 0.00 41.96 40.50 1bfi s TYR 103 CO 0.86 -0.17 1.02 -1.25 -1.34 0.00 0.00 175.55 174.67 1bfi s PRO 104 N 0.24 3.96 0.36 4.97 0.04 -1.26 -1.91 135.00 141.38 1bfi s PRO 104 Ca -0.09 1.33 0.25 0.00 0.04 0.00 0.00 61.00 62.54 1bfi s PRO 104 Cb -0.15 -2.19 0.64 0.00 0.04 0.00 0.00 34.50 32.84 1bfi s PRO 104 CO 0.05 -0.29 1.71 -0.24 0.04 0.00 0.00 177.00 178.27 1bfi h VAL 105 N 1.74 0.00 -1.78 -0.36 3.04 -0.75 -3.34 116.25 114.79 1bfi h VAL 105 Ca -0.49 -0.72 -0.50 0.00 -1.01 0.00 0.00 66.70 63.98 1bfi h VAL 105 Cb 1.21 1.71 -0.41 0.00 -2.01 0.00 0.00 31.29 31.79 1bfi h VAL 105 CO 0.60 0.00 -0.99 -1.22 -1.01 0.00 0.00 177.57 174.95 1bfi n TYR 106 N -2.75 1.82 -1.98 3.17 4.01 0.99 -5.02 117.16 117.41 1bfi n TYR 106 Ca 0.04 -3.54 -0.42 0.00 -0.16 0.00 0.00 57.90 53.83 1bfi n TYR 106 Cb 0.46 -0.38 -0.03 0.00 -0.31 0.00 0.00 39.34 39.08 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 -3.00 3.69 0.11 -0.72 0.00 -1.26 -4.05 121.76 116.53 1bfi s ALA 107 Ca 0.40 1.35 -0.15 0.00 0.00 0.00 0.00 51.96 53.56 1bfi s ALA 107 Cb 0.36 -3.59 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 1bfi s ALA 107 CO -0.08 -0.77 1.50 0.37 0.00 0.00 0.00 175.76 176.78 1bfi h GLN 108 N 5.75 0.69 -6.12 0.00 4.15 -1.95 -3.47 115.11 114.15 1bfi h GLN 108 Ca -0.45 -0.28 -0.41 0.00 0.77 0.00 0.00 58.65 58.29 1bfi h GLN 108 Cb 1.21 -0.03 0.09 0.00 0.21 0.00 0.00 27.48 28.96 1bfi h GLN 108 CO 0.83 0.86 -0.91 0.94 -1.93 0.00 0.00 178.83 178.62 1bfi n GLN 109 N -4.38 -2.01 0.06 1.69 7.27 -1.26 -4.84 117.38 113.91 1bfi n GLN 109 Ca -0.02 0.53 0.03 0.00 0.07 0.00 0.00 57.00 57.61 1bfi n GLN 109 Cb 0.36 -4.54 0.42 0.00 2.41 0.00 0.00 30.24 28.90 1bfi n GLN 109 CO 0.00 0.00 0.00 0.07 0.07 0.00 0.00 177.06 177.20 1bfi h ARG 110 N -1.77 0.40 0.00 3.69 0.11 -2.03 -3.57 114.38 111.20 1bfi h ARG 110 Ca -0.65 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.38 1bfi h ARG 110 Cb 1.35 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 32.36 1bfi h ARG 110 CO 0.50 0.35 0.00 0.54 0.10 0.00 0.00 179.97 181.46