#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bfi n ASP 2 N 0.00 3.48 -4.72 1.62 -0.08 -1.26 -4.96 116.55 110.63 1bfi n ASP 2 Ca 0.00 1.21 -0.37 0.00 -1.51 0.00 0.00 54.79 54.12 1bfi n ASP 2 Cb 0.00 -1.57 -0.07 0.00 2.34 0.00 0.00 41.12 41.82 1bfi n ASP 2 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1bfi s LEU 3 N -1.54 4.24 0.00 -2.67 1.43 -1.26 -4.95 118.68 113.94 1bfi s LEU 3 Ca 0.55 0.60 0.15 0.00 -1.03 0.00 0.00 54.13 54.40 1bfi s LEU 3 Cb -0.51 -2.48 0.82 0.00 0.03 0.00 0.00 46.19 44.05 1bfi s LEU 3 CO 0.61 0.05 1.34 -0.81 0.23 0.00 0.00 176.35 177.78 1bfi n PRO 4 N 3.70 0.36 0.24 1.29 -0.04 -1.26 -2.86 135.00 136.43 1bfi n PRO 4 Ca -0.10 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.53 1bfi n PRO 4 Cb 0.52 -1.50 0.60 0.00 -0.04 0.00 0.00 33.50 33.08 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 -0.18 0.54 3.86 -1.94 -1.85 115.15 115.58 1bfi h HIS 5 Ca 0.00 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.26 1bfi h HIS 5 Cb 0.06 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 1bfi h HIS 5 CO 0.00 0.18 0.13 0.45 0.86 0.00 0.00 177.93 179.55 1bfi h HIS 6 N 0.00 0.00 -3.43 2.45 3.86 -1.96 -3.37 115.15 112.70 1bfi h HIS 6 Ca -0.00 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.61 1bfi h HIS 6 Cb 0.52 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 28.89 1bfi h HIS 6 CO 0.00 0.00 0.17 -0.51 0.86 0.00 0.00 177.93 178.45 1bfi s ASP 7 N -6.74 6.65 0.24 2.45 1.01 -0.70 -4.94 116.67 114.65 1bfi s ASP 7 Ca -0.05 0.80 0.01 0.00 0.71 0.00 0.00 52.55 54.02 1bfi s ASP 7 Cb 0.18 -2.35 0.27 0.00 1.01 0.00 0.00 42.92 42.03 1bfi s ASP 7 CO 0.69 -0.33 1.61 -0.08 0.21 0.00 0.00 175.17 177.26 1bfi h GLU 8 N 7.67 0.43 0.00 8.23 4.81 -1.84 -2.79 114.58 131.09 1bfi h GLU 8 Ca -0.29 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 58.70 1bfi h GLU 8 Cb 1.13 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 1bfi h GLU 8 CO 0.78 0.80 -0.06 1.57 -0.73 0.00 0.00 179.01 181.37 1bfi h LYS 9 N 0.35 0.00 -0.40 1.92 2.10 -1.92 0.95 116.57 119.57 1bfi h LYS 9 Ca 0.02 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.62 1bfi h LYS 9 Cb 0.93 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.24 1bfi h LYS 9 CO 0.08 0.06 0.03 1.79 -2.00 0.00 0.00 179.45 179.41 1bfi h THR 10 N 0.00 1.21 0.00 0.07 1.35 -1.73 -3.34 112.91 110.46 1bfi h THR 10 Ca -0.00 -0.81 -0.08 0.00 -0.55 0.00 0.00 66.41 64.97 1bfi h THR 10 Cb 0.37 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 67.65 1bfi h THR 10 CO 0.01 0.29 -1.29 -2.67 -0.25 0.00 0.00 175.52 171.61 1bfi n TRP 11 N -4.27 0.00 -3.09 4.73 4.27 -1.02 -0.01 117.44 118.05 1bfi n TRP 11 Ca 0.02 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.23 1bfi n TRP 11 Cb 0.25 -0.20 -0.05 0.00 -1.36 0.00 0.00 31.31 29.94 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 -3.93 6.80 -0.01 -0.67 3.84 0.33 0.28 114.94 121.57 1bfi s ASN 12 Ca -0.04 0.97 0.12 0.00 0.21 0.00 0.00 52.86 54.12 1bfi s ASN 12 Cb 0.01 -2.37 -0.15 0.00 -0.55 0.00 0.00 41.25 38.19 1bfi s ASN 12 CO 0.15 -0.23 0.44 1.33 -2.79 0.00 0.00 177.10 176.00 1bfi n VAL 13 N 4.38 0.00 -2.56 -5.21 0.24 -1.05 -4.16 118.33 109.97 1bfi n VAL 13 Ca -0.01 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1bfi n VAL 13 Cb 0.50 0.75 0.00 0.00 -1.47 0.00 0.00 33.84 33.63 1bfi n VAL 13 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bfi n GLY 14 N 1.44 -1.46 3.74 7.63 0.00 -1.26 -4.87 105.19 110.42 1bfi n GLY 14 Ca 0.01 -1.54 -0.37 0.00 0.00 0.00 0.00 46.02 44.12 1bfi n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bfi s SER 15 N -4.00 5.01 0.07 1.61 0.01 -1.26 -4.33 113.70 110.82 1bfi s SER 15 Ca 0.00 2.64 -0.27 0.00 1.31 0.00 0.00 55.95 59.62 1bfi s SER 15 Cb 0.00 -2.62 0.09 0.00 0.21 0.00 0.00 66.02 63.69 1bfi s SER 15 CO 0.00 -1.73 1.02 -0.55 0.41 0.00 0.00 173.24 172.39 1bfi s SER 16 N -1.24 -0.19 -0.01 2.44 0.15 -1.26 -5.05 113.70 108.54 1bfi s SER 16 Ca 0.77 -0.26 -0.20 0.00 0.70 0.00 0.00 55.95 56.95 1bfi s SER 16 Cb -0.37 0.39 -0.05 0.00 -1.71 0.00 0.00 66.02 64.27 1bfi s SER 16 CO 0.42 -0.70 0.59 0.20 1.20 0.00 0.00 173.24 174.95 1bfi s ASN 17 N -2.83 6.97 0.35 5.45 0.01 -1.26 -4.92 114.94 118.71 1bfi s ASN 17 Ca 0.11 1.15 0.02 0.00 -0.71 0.00 0.00 52.86 53.43 1bfi s ASN 17 Cb -0.00 -2.36 0.64 0.00 0.41 0.00 0.00 41.25 39.94 1bfi s ASN 17 CO -0.01 0.09 2.01 0.03 -1.51 0.00 0.00 177.10 177.71 1bfi h ARG 18 N 5.70 0.83 -0.40 -0.60 3.08 -2.00 -2.78 114.38 118.20 1bfi h ARG 18 Ca -0.45 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 59.62 1bfi h ARG 18 Cb 1.20 -0.19 -0.06 0.00 0.08 0.00 0.00 29.97 31.01 1bfi h ARG 18 CO 0.70 0.55 0.06 -0.91 -1.07 0.00 0.00 179.97 179.29 1bfi h ASN 19 N 0.85 -0.05 0.65 7.04 -0.26 -2.02 -0.34 115.58 121.45 1bfi h ASN 19 Ca 0.23 0.08 -0.06 0.00 -0.56 0.00 0.00 56.30 55.98 1bfi h ASN 19 Cb -0.10 0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.27 1bfi h ASN 19 CO -0.05 0.01 -0.31 0.07 -1.06 0.00 0.00 177.43 176.09 1bfi h LYS 20 N 0.18 0.00 -0.71 0.81 2.10 -1.92 -2.77 116.57 114.26 1bfi h LYS 20 Ca 0.20 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.90 1bfi h LYS 20 Cb 0.25 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.53 1bfi h LYS 20 CO -0.28 0.31 0.42 0.00 -2.00 0.00 0.00 179.45 177.90 1bfi h ALA 21 N 1.69 0.95 -0.61 0.07 0.00 -0.84 0.69 119.26 121.20 1bfi h ALA 21 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1bfi h ALA 21 Cb 0.72 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1bfi h ALA 21 CO 0.04 0.13 0.40 1.49 0.00 0.00 0.00 179.25 181.31 1bfi h GLU 22 N 0.78 0.78 -0.14 0.00 4.81 -1.18 0.98 114.58 120.61 1bfi h GLU 22 Ca 0.31 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1bfi h GLU 22 Cb 0.14 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1bfi h GLU 22 CO -0.16 0.51 0.09 -0.91 -0.73 0.00 0.00 179.01 177.81 1bfi h ASN 23 N 0.80 0.16 -0.46 1.04 -0.26 -0.91 0.87 115.58 116.82 1bfi h ASN 23 Ca 0.23 -0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.92 1bfi h ASN 23 Cb -0.06 -0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 37.14 1bfi h ASN 23 CO -0.07 0.12 0.15 -0.07 -1.06 0.00 0.00 177.43 176.50 1bfi h LEU 24 N 0.18 0.72 -0.11 1.61 3.38 0.11 -0.28 115.31 120.92 1bfi h LEU 24 Ca 0.05 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1bfi h LEU 24 Cb -0.01 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1bfi h LEU 24 CO -0.01 0.70 -0.04 0.18 0.09 0.00 0.00 178.44 179.35 1bfi n LEU 25 N -4.30 0.21 -4.74 1.67 4.77 0.33 -4.59 117.00 110.35 1bfi n LEU 25 Ca 0.04 0.12 -0.38 0.00 -0.03 0.00 0.00 56.01 55.76 1bfi n LEU 25 Cb 0.20 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1bfi n LEU 25 CO 0.39 0.04 0.16 -0.60 -1.33 0.00 0.00 177.39 176.05 1bfi s ARG 26 N -2.44 4.29 0.00 3.23 3.52 0.29 -3.85 118.95 123.98 1bfi s ARG 26 Ca 0.32 0.43 0.00 0.00 -0.13 0.00 0.00 55.73 56.35 1bfi s ARG 26 Cb 0.20 -3.41 0.00 0.00 -1.56 0.00 0.00 34.95 30.19 1bfi s ARG 26 CO 0.45 0.23 0.00 0.41 -0.81 0.00 0.00 175.30 175.59 1bfi n GLY 27 N 3.07 0.83 3.70 8.12 0.00 -1.26 -4.93 105.19 114.72 1bfi n GLY 27 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.25 4.13 0.57 1.61 -0.14 -1.25 -5.06 119.74 119.34 1bfi s LYS 28 Ca 0.00 -0.25 -0.21 0.00 -1.36 0.00 0.00 55.97 54.16 1bfi s LYS 28 Cb 0.00 -3.45 -0.04 0.00 -1.68 0.00 0.00 37.83 32.66 1bfi s LYS 28 CO 0.00 0.21 1.30 0.50 -0.76 0.00 0.00 175.35 176.60 1bfi s ARG 29 N 0.61 3.05 0.80 1.68 3.52 -1.26 -4.86 118.95 122.49 1bfi s ARG 29 Ca 0.08 2.08 -0.16 0.00 -0.13 0.00 0.00 55.73 57.60 1bfi s ARG 29 Cb -0.12 -2.13 -0.06 0.00 -1.56 0.00 0.00 34.95 31.08 1bfi s ARG 29 CO 0.00 -1.21 0.11 -0.40 -0.81 0.00 0.00 175.30 172.99 1bfi n ASP 30 N -1.25 -2.83 0.00 -2.12 5.75 -1.26 -2.52 116.55 112.33 1bfi n ASP 30 Ca 0.12 0.45 0.00 0.00 -0.01 0.00 0.00 54.79 55.35 1bfi n ASP 30 Cb 0.47 -1.06 0.00 0.00 -1.03 0.00 0.00 41.12 39.50 1bfi n ASP 30 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bfi n GLY 31 N 2.15 3.02 3.68 6.12 0.00 -1.03 -4.94 105.19 114.19 1bfi n GLY 31 Ca 0.06 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.17 3.95 0.25 2.61 2.01 -1.05 -2.08 115.64 119.17 1bfi s THR 32 Ca 0.00 1.28 -0.05 0.00 0.31 0.00 0.00 61.69 63.23 1bfi s THR 32 Cb 0.00 -3.82 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 1bfi s THR 32 CO 0.00 -0.03 0.32 0.72 -0.69 0.00 0.00 174.62 174.94 1bfi s PHE 33 N 2.66 0.92 0.10 4.92 -0.12 0.29 -2.06 117.98 124.69 1bfi s PHE 33 Ca 0.61 -1.17 -0.11 0.00 -0.05 0.00 0.00 56.93 56.21 1bfi s PHE 33 Cb -0.28 -0.24 0.01 0.00 -0.63 0.00 0.00 43.02 41.88 1bfi s PHE 33 CO 0.23 -0.87 0.25 -0.48 -0.05 0.00 0.00 175.22 174.30 1bfi s LEU 34 N -3.14 1.15 -0.12 -1.99 2.34 -0.38 -0.55 118.68 115.99 1bfi s LEU 34 Ca 0.32 -0.55 -0.06 0.00 0.06 0.00 0.00 54.13 53.90 1bfi s LEU 34 Cb 0.03 1.25 -0.04 0.00 -0.56 0.00 0.00 46.19 46.87 1bfi s LEU 34 CO 0.14 -0.75 0.11 -0.69 -1.06 0.00 0.00 176.35 174.09 1bfi s VAL 35 N -3.78 5.24 0.11 1.48 1.01 0.78 -1.21 120.40 124.03 1bfi s VAL 35 Ca 0.04 0.11 -0.13 0.00 0.00 0.00 0.00 61.98 62.00 1bfi s VAL 35 Cb 0.04 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 33.16 1bfi s VAL 35 CO -0.11 0.60 0.31 -0.60 0.00 0.00 0.00 175.10 175.30 1bfi s ARG 36 N -0.84 0.98 0.50 2.72 3.52 0.75 -2.52 118.95 124.05 1bfi s ARG 36 Ca 0.14 -0.84 0.08 0.00 -0.13 0.00 0.00 55.73 54.98 1bfi s ARG 36 Cb -0.12 0.41 0.04 0.00 -1.56 0.00 0.00 34.95 33.73 1bfi s ARG 36 CO 0.03 -0.36 0.61 -1.83 -0.81 0.00 0.00 175.30 172.95 1bfi s GLU 37 N -3.84 2.50 0.00 5.12 1.03 -1.26 0.24 118.70 122.49 1bfi s GLU 37 Ca 0.05 -1.55 0.15 0.00 0.03 0.00 0.00 54.97 53.65 1bfi s GLU 37 Cb 0.03 -2.57 0.90 0.00 -0.80 0.00 0.00 34.13 31.68 1bfi s GLU 37 CO -0.11 -0.55 1.42 -1.13 -1.33 0.00 0.00 175.26 173.56 1bfi n SER 38 N -1.96 0.00 0.00 0.83 3.41 -1.24 -4.75 113.62 109.91 1bfi n SER 38 Ca 0.09 -1.08 0.00 0.00 -0.26 0.00 0.00 58.87 57.63 1bfi n SER 38 Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1bfi n SER 38 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1bfi n SER 39 N -0.80 0.00 -4.63 4.04 7.64 -1.26 -5.01 113.62 113.60 1bfi n SER 39 Ca 0.11 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.59 1bfi n SER 39 Cb 0.05 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.19 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 -0.60 4.11 0.15 1.43 -0.14 -1.26 -5.00 119.74 118.43 1bfi s LYS 40 Ca 0.00 0.49 -0.34 0.00 -1.36 0.00 0.00 55.97 54.76 1bfi s LYS 40 Cb 0.00 -3.64 -0.16 0.00 -1.68 0.00 0.00 37.83 32.35 1bfi s LYS 40 CO 0.00 -0.37 1.28 0.94 -0.76 0.00 0.00 175.35 176.43 1bfi n GLN 41 N 5.58 1.30 0.00 1.68 7.27 -1.26 -1.74 117.38 130.20 1bfi n GLN 41 Ca -0.02 0.46 0.00 0.00 0.07 0.00 0.00 57.00 57.52 1bfi n GLN 41 Cb 0.49 -2.05 0.00 0.00 2.41 0.00 0.00 30.24 31.10 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 2.31 0.67 3.05 1.69 0.00 -1.26 -5.08 105.19 106.57 1bfi n GLY 42 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.27 1.79 -0.15 0.00 2.02 -0.97 -3.69 117.35 116.08 1bfi s TYR 44 Ca 0.04 -0.70 -0.31 0.00 -0.37 0.00 0.00 57.07 55.72 1bfi s TYR 44 Cb -0.04 -0.97 0.13 0.00 -0.40 0.00 0.00 41.96 40.68 1bfi s TYR 44 CO -0.00 0.24 1.08 0.00 -1.57 0.00 0.00 175.55 175.30 1bfi s ALA 45 N -3.08 -1.97 0.01 3.71 0.00 0.65 -0.49 121.76 120.58 1bfi s ALA 45 Ca 0.27 1.48 0.03 0.00 0.00 0.00 0.00 51.96 53.74 1bfi s ALA 45 Cb 0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 1bfi s ALA 45 CO 0.09 -0.49 -0.10 0.00 0.00 0.00 0.00 175.76 175.27 1bfi s SER 47 N -0.63 3.58 0.22 0.00 1.04 -0.35 0.22 113.70 117.78 1bfi s SER 47 Ca 0.01 -0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.13 1bfi s SER 47 Cb -0.05 -0.68 -0.05 0.00 0.10 0.00 0.00 66.02 65.34 1bfi s SER 47 CO 0.00 0.32 0.03 0.54 0.98 0.00 0.00 173.24 175.11 1bfi s VAL 48 N -0.60 0.78 -0.12 5.02 0.11 -0.63 -1.24 120.40 123.71 1bfi s VAL 48 Ca 0.09 -2.00 -0.05 0.00 -2.93 0.00 0.00 61.98 57.09 1bfi s VAL 48 Cb -0.11 -2.37 -0.04 0.00 -1.53 0.00 0.00 36.38 32.34 1bfi s VAL 48 CO 0.00 -0.27 0.07 -0.69 -3.33 0.00 0.00 175.10 170.88 1bfi s VAL 49 N -3.60 4.85 0.15 2.04 1.01 -0.87 0.47 120.40 124.46 1bfi s VAL 49 Ca 0.30 -0.03 0.10 0.00 0.00 0.00 0.00 61.98 62.34 1bfi s VAL 49 Cb 0.07 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 1bfi s VAL 49 CO 0.09 0.57 -0.18 -0.69 0.00 0.00 0.00 175.10 174.89 1bfi s VAL 50 N -0.62 2.77 -1.27 2.92 1.01 -0.18 -2.46 120.40 122.57 1bfi s VAL 50 Ca 0.11 -1.69 0.00 0.00 0.00 0.00 0.00 61.98 60.41 1bfi s VAL 50 Cb -0.12 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1bfi s VAL 50 CO 0.02 -0.00 0.25 -0.67 0.00 0.00 0.00 175.10 174.70 1bfi n ASP 51 N 0.50 0.00 0.00 3.32 2.03 -1.26 -2.09 116.55 119.04 1bfi n ASP 51 Ca -0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.17 1bfi n ASP 51 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 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 -0.71 0.00 3.54 0.27 0.00 -1.26 -5.05 105.19 101.98 1bfi n GLY 52 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.19 1.41 0.19 1.61 2.02 -0.89 -5.14 118.70 116.73 1bfi s GLU 53 Ca 0.00 -0.71 -0.30 0.00 0.02 0.00 0.00 54.97 53.98 1bfi s GLU 53 Cb 0.00 0.57 -0.08 0.00 0.10 0.00 0.00 34.13 34.72 1bfi s GLU 53 CO 0.00 -0.62 1.06 0.08 0.02 0.00 0.00 175.26 175.80 1bfi s VAL 54 N -3.83 3.92 0.13 2.63 1.01 -1.26 -1.01 120.40 121.99 1bfi s VAL 54 Ca 0.06 1.73 0.08 0.00 0.00 0.00 0.00 61.98 63.85 1bfi s VAL 54 Cb -0.02 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1bfi s VAL 54 CO -0.06 0.33 -0.14 -0.54 0.00 0.00 0.00 175.10 174.70 1bfi s LYS 55 N -0.62 1.94 -0.49 2.72 -0.14 0.18 -4.91 119.74 118.41 1bfi s LYS 55 Ca 0.47 -1.15 0.07 0.00 -1.36 0.00 0.00 55.97 54.00 1bfi s LYS 55 Cb -0.28 -2.18 0.25 0.00 -1.68 0.00 0.00 37.83 33.94 1bfi s LYS 55 CO 0.35 0.48 0.61 0.72 -0.76 0.00 0.00 175.35 176.75 1bfi n HIS 56 N 0.61 1.31 -1.88 3.18 8.25 -1.26 -1.60 115.22 123.83 1bfi n HIS 56 Ca -0.14 -3.81 -0.40 0.00 -0.26 0.00 0.00 57.72 53.11 1bfi n HIS 56 Cb 0.53 -0.44 0.01 0.00 1.12 0.00 0.00 29.99 31.21 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 -1.22 4.34 -0.04 0.00 0.11 -1.26 -0.15 120.40 122.18 1bfi s VAL 58 Ca 0.60 -0.23 0.06 0.00 -2.93 0.00 0.00 61.98 59.47 1bfi s VAL 58 Cb -0.42 -2.84 -0.01 0.00 -1.53 0.00 0.00 36.38 31.58 1bfi s VAL 58 CO 0.54 0.58 -0.21 -0.63 -3.33 0.00 0.00 175.10 172.05 1bfi s ILE 59 N -0.68 1.73 0.36 7.04 1.01 0.35 -4.69 121.20 126.33 1bfi s ILE 59 Ca 0.11 -0.90 0.07 0.00 0.00 0.00 0.00 60.65 59.93 1bfi s ILE 59 Cb -0.12 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 1bfi s ILE 59 CO 0.02 0.49 0.43 0.20 0.00 0.00 0.00 174.94 176.08 1bfi s ASN 60 N -0.19 5.60 -0.00 3.58 0.02 -1.18 -2.30 114.94 120.47 1bfi s ASN 60 Ca -0.00 -0.39 0.01 0.00 -1.02 0.00 0.00 52.86 51.45 1bfi s ASN 60 Cb -0.11 -0.95 0.01 0.00 0.02 0.00 0.00 41.25 40.21 1bfi s ASN 60 CO 0.02 -0.51 0.92 2.29 0.02 0.00 0.00 177.10 179.84 1bfi n LYS 61 N -1.60 2.45 -1.86 -0.60 2.85 -1.26 -1.35 118.16 116.79 1bfi n LYS 61 Ca 0.02 -1.36 -0.29 0.00 -1.05 0.00 0.00 58.31 55.62 1bfi n LYS 61 Cb 0.59 -0.93 0.08 0.00 -0.65 0.00 0.00 35.03 34.12 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 -0.88 2.63 0.13 0.58 2.01 -1.26 -4.71 115.64 114.13 1bfi s THR 62 Ca 0.01 0.20 -0.20 0.00 0.31 0.00 0.00 61.69 62.01 1bfi s THR 62 Cb 0.01 -3.18 -0.02 0.00 0.01 0.00 0.00 72.50 69.32 1bfi s THR 62 CO 0.00 -0.27 1.70 0.00 -0.69 0.00 0.00 174.62 175.36 1bfi h ALA 63 N -0.93 0.12 -0.02 7.40 0.00 -2.01 -1.07 119.26 122.76 1bfi h ALA 63 Ca -0.46 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1bfi h ALA 63 Cb 1.30 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1bfi h ALA 63 CO 0.65 -0.49 -0.03 2.41 0.00 0.00 0.00 179.25 181.79 1bfi n THR 64 N -5.21 0.00 0.00 0.00 -1.04 -1.26 -4.69 114.28 102.07 1bfi n THR 64 Ca -0.02 -0.31 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 1bfi n THR 64 Cb 0.14 0.78 0.00 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 1.24 1.69 1.16 3.41 0.00 -0.41 -4.87 105.19 107.41 1bfi n GLY 65 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.65 0.00 1.61 4.01 -0.46 -4.49 117.16 115.18 1bfi n TYR 66 Ca 0.00 1.43 0.00 0.00 -0.16 0.00 0.00 57.90 59.17 1bfi n TYR 66 Cb 0.00 -2.41 0.00 0.00 -0.31 0.00 0.00 39.34 36.62 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 -3.78 -1.76 3.42 2.72 0.00 -1.25 -3.09 105.19 101.45 1bfi n GLY 67 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.18 3.11 -0.12 1.61 0.40 -1.26 -4.79 117.98 115.75 1bfi s PHE 68 Ca 0.00 -0.57 -0.10 0.00 -0.60 0.00 0.00 56.93 55.66 1bfi s PHE 68 Cb 0.00 -2.26 -0.06 0.00 0.51 0.00 0.00 43.02 41.21 1bfi s PHE 68 CO 0.00 -0.43 -0.21 0.00 0.70 0.00 0.00 175.22 175.28 1bfi n ALA 69 N 4.92 1.83 -1.28 5.36 0.00 -1.20 -4.28 120.51 125.86 1bfi n ALA 69 Ca -0.15 -0.59 0.17 0.00 0.00 0.00 0.00 53.44 52.87 1bfi n ALA 69 Cb 0.50 0.21 -0.05 0.00 0.00 0.00 0.00 19.45 20.11 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 -3.90 -2.67 -0.20 0.00 4.71 -1.26 0.19 120.64 117.51 1bfi n GLU 70 Ca -0.22 1.88 0.23 0.00 -0.01 0.00 0.00 57.16 59.03 1bfi n GLU 70 Cb 0.54 -3.23 0.60 0.00 -1.01 0.00 0.00 31.44 28.35 1bfi n GLU 70 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1bfi h PRO 71 N -1.21 0.22 0.00 3.49 0.11 -2.04 -3.31 132.00 129.27 1bfi h PRO 71 Ca -0.02 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1bfi h PRO 71 Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1bfi h PRO 71 CO 0.02 0.15 0.00 2.48 -0.21 0.00 0.00 178.00 180.44 1bfi n TYR 72 N -4.42 0.00 -3.35 0.65 0.18 -1.25 -5.00 117.16 103.98 1bfi n TYR 72 Ca 0.18 0.00 -0.45 0.00 1.88 0.00 0.00 57.90 59.51 1bfi n TYR 72 Cb 0.78 0.08 -0.00 0.00 -0.38 0.00 0.00 39.34 39.82 1bfi n TYR 72 CO 0.00 0.00 0.00 -0.80 -2.08 0.00 0.00 176.86 173.98 1bfi s ASN 73 N 0.00 7.23 -0.40 9.48 -0.87 0.13 -4.95 114.94 125.57 1bfi s ASN 73 Ca 0.00 -3.51 0.02 0.00 -1.57 0.00 0.00 52.86 47.79 1bfi s ASN 73 Cb 0.00 -2.20 0.11 0.00 -0.02 0.00 0.00 41.25 39.14 1bfi s ASN 73 CO 0.00 -0.31 0.14 -0.76 -2.57 0.00 0.00 177.10 173.60 1bfi s LEU 74 N -1.13 4.88 0.17 0.60 1.02 -1.20 -3.25 118.68 119.77 1bfi s LEU 74 Ca 0.29 -2.26 -0.34 0.00 0.02 0.00 0.00 54.13 51.85 1bfi s LEU 74 Cb -0.10 -1.70 -0.14 0.00 0.02 0.00 0.00 46.19 44.27 1bfi s LEU 74 CO -0.08 -0.41 1.53 -1.22 0.02 0.00 0.00 176.35 176.18 1bfi n TYR 75 N 4.18 2.19 -0.02 0.29 4.01 -1.26 -4.88 117.16 121.66 1bfi n TYR 75 Ca 0.03 0.33 -0.07 0.00 -0.16 0.00 0.00 57.90 58.02 1bfi n TYR 75 Cb 0.40 -2.51 0.11 0.00 -0.31 0.00 0.00 39.34 37.03 1bfi n TYR 75 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1bfi h SER 76 N 5.49 0.64 -3.84 7.72 0.87 -1.98 -3.46 113.55 119.00 1bfi h SER 76 Ca -0.45 -0.27 -0.35 0.00 -1.23 0.00 0.00 61.79 59.49 1bfi h SER 76 Cb 1.26 -0.18 -0.15 0.00 -0.44 0.00 0.00 62.40 62.90 1bfi h SER 76 CO 0.85 0.94 -0.72 -0.44 -0.53 0.00 0.00 176.83 176.93 1bfi s SER 77 N -6.83 1.94 0.23 6.23 0.01 -1.26 -5.03 113.70 108.99 1bfi s SER 77 Ca -0.08 -0.99 -0.04 0.00 1.31 0.00 0.00 55.95 56.15 1bfi s SER 77 Cb 0.13 -0.04 0.24 0.00 0.21 0.00 0.00 66.02 66.56 1bfi s SER 77 CO 0.83 -0.29 1.70 -0.07 0.41 0.00 0.00 173.24 175.82 1bfi h LEU 78 N 2.81 0.81 -0.72 2.44 3.38 -1.99 -1.64 115.31 120.41 1bfi h LEU 78 Ca -0.37 -0.23 0.11 0.00 0.09 0.00 0.00 57.88 57.47 1bfi h LEU 78 Cb 1.20 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.65 1bfi h LEU 78 CO 0.62 0.92 0.34 0.11 0.09 0.00 0.00 178.44 180.52 1bfi h LYS 79 N 0.76 0.54 -0.28 1.13 1.57 -1.99 0.28 116.57 118.57 1bfi h LYS 79 Ca 0.13 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 1bfi h LYS 79 Cb 0.56 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1bfi h LYS 79 CO 0.03 0.36 -0.31 0.93 -0.57 0.00 0.00 179.45 179.89 1bfi h GLU 80 N 0.56 0.70 -0.40 3.15 5.08 -1.88 -1.78 114.58 120.02 1bfi h GLU 80 Ca 0.37 -0.38 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1bfi h GLU 80 Cb 0.44 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1bfi h GLU 80 CO -0.31 1.00 0.26 1.25 -1.00 0.00 0.00 179.01 180.21 1bfi h LEU 81 N 0.44 0.44 -0.33 1.33 6.46 -0.29 0.12 115.31 123.48 1bfi h LEU 81 Ca 0.04 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.77 1bfi h LEU 81 Cb 0.88 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.69 1bfi h LEU 81 CO 0.08 0.32 0.14 0.58 -0.62 0.00 0.00 178.44 178.93 1bfi h VAL 82 N 0.53 1.18 -0.90 1.05 2.07 -0.48 -2.83 116.25 116.87 1bfi h VAL 82 Ca 0.15 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1bfi h VAL 82 Cb -0.05 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1bfi h VAL 82 CO -0.04 0.19 0.50 -0.07 0.02 0.00 0.00 177.57 178.17 1bfi h LEU 83 N 0.39 1.13 -0.48 2.57 3.38 -0.92 -2.81 115.31 118.57 1bfi h LEU 83 Ca 0.11 -0.10 0.09 0.00 0.09 0.00 0.00 57.88 58.08 1bfi h LEU 83 Cb 0.17 -0.29 -0.08 0.00 0.09 0.00 0.00 40.66 40.56 1bfi h LEU 83 CO -0.01 0.90 -0.00 -0.74 0.09 0.00 0.00 178.44 178.67 1bfi h HIS 84 N 1.26 -0.04 0.00 1.13 2.76 -0.52 -0.39 115.15 119.36 1bfi h HIS 84 Ca 0.32 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.52 1bfi h HIS 84 Cb 0.02 0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.07 1bfi h HIS 84 CO 0.01 -0.11 -0.04 1.88 -1.30 0.00 0.00 177.93 178.37 1bfi h TYR 85 N 0.11 0.00 -0.55 5.26 0.05 -1.44 -1.94 116.97 118.46 1bfi h TYR 85 Ca 0.24 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.00 1bfi h TYR 85 Cb 0.36 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.07 1bfi h TYR 85 CO -0.31 0.04 0.27 1.96 -1.05 0.00 0.00 178.16 179.07 1bfi h GLN 86 N 0.00 0.76 0.06 4.88 4.20 -0.85 -3.00 115.11 121.17 1bfi h GLN 86 Ca -0.00 -0.09 -0.36 0.00 0.06 0.00 0.00 58.65 58.26 1bfi h GLN 86 Cb 0.61 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 1bfi h GLN 86 CO 0.01 0.59 -2.09 1.58 -0.67 0.00 0.00 178.83 178.24 1bfi n HIS 87 N -4.38 0.79 -3.29 2.96 -0.00 -1.16 -4.36 115.22 105.79 1bfi n HIS 87 Ca 0.05 0.20 -0.39 0.00 0.46 0.00 0.00 57.72 58.04 1bfi n HIS 87 Cb 0.12 -1.11 -0.06 0.00 -0.12 0.00 0.00 29.99 28.82 1bfi n HIS 87 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 1bfi s THR 88 N -2.55 4.77 0.14 3.57 -4.23 -0.74 -5.05 115.64 111.55 1bfi s THR 88 Ca -0.21 1.19 -0.28 0.00 -1.18 0.00 0.00 61.69 61.21 1bfi s THR 88 Cb 0.07 -3.88 -0.07 0.00 1.34 0.00 0.00 72.50 69.96 1bfi s THR 88 CO 0.75 0.55 0.90 -0.55 -0.54 0.00 0.00 174.62 175.73 1bfi s SER 89 N -1.08 7.48 0.20 3.99 0.15 -1.26 -4.53 113.70 118.65 1bfi s SER 89 Ca 0.29 1.76 -0.10 0.00 0.70 0.00 0.00 55.95 58.59 1bfi s SER 89 Cb -0.19 -2.56 0.15 0.00 -1.71 0.00 0.00 66.02 61.70 1bfi s SER 89 CO 0.18 0.05 1.83 -0.07 1.20 0.00 0.00 173.24 176.43 1bfi h LEU 90 N 5.02 0.93 0.00 3.45 3.38 -1.14 -3.43 115.31 123.53 1bfi h LEU 90 Ca -0.44 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1bfi h LEU 90 Cb 1.21 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1bfi h LEU 90 CO 0.70 0.75 0.00 0.52 0.09 0.00 0.00 178.44 180.50 1bfi n VAL 91 N -4.46 0.00 0.00 1.22 0.31 1.14 -4.80 118.33 111.74 1bfi n VAL 91 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1bfi n VAL 91 Cb 0.09 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 1bfi n VAL 91 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1bfi n GLN 92 N 0.00 0.00 -0.22 5.55 -0.06 -1.26 -0.77 117.38 120.62 1bfi n GLN 92 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 54.99 1bfi n GLN 92 Cb 0.00 0.00 0.21 0.00 -4.06 0.00 0.00 30.24 26.39 1bfi n GLN 92 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1bfi h HIS 93 N 0.00 0.99 0.00 3.69 3.86 -2.01 0.28 115.15 121.96 1bfi h HIS 93 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1bfi h HIS 93 Cb 0.00 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.15 1bfi h HIS 93 CO 0.00 0.67 0.09 -0.91 0.86 0.00 0.00 177.93 178.64 1bfi h ASN 94 N 1.03 0.00 -1.54 2.45 2.35 -1.98 -3.44 115.58 114.45 1bfi h ASN 94 Ca 0.27 0.00 -0.40 0.00 -0.55 0.00 0.00 56.30 55.62 1bfi h ASN 94 Cb -0.02 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.23 1bfi h ASN 94 CO -0.05 0.00 -0.41 0.47 -1.65 0.00 0.00 177.43 175.79 1bfi n ASP 95 N -2.73 -5.46 -0.06 5.81 8.00 1.00 -4.80 116.55 118.31 1bfi n ASP 95 Ca -0.02 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.81 1bfi n ASP 95 Cb 0.14 -4.62 0.01 0.00 -0.02 0.00 0.00 41.12 36.63 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 -1.36 0.62 -2.62 -2.24 7.64 -1.15 -4.76 113.62 109.73 1bfi n SER 96 Ca -0.21 -1.45 -0.36 0.00 1.01 0.00 0.00 58.87 57.86 1bfi n SER 96 Cb 0.66 -0.04 0.05 0.00 -1.01 0.00 0.00 64.21 63.86 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 -0.19 7.04 -3.60 -3.43 4.32 0.05 -4.85 117.00 116.35 1bfi n LEU 97 Ca 0.01 -4.72 -0.41 0.00 -0.02 0.00 0.00 56.01 50.88 1bfi n LEU 97 Cb 0.46 -0.91 -0.02 0.00 -1.62 0.00 0.00 43.42 41.34 1bfi n LEU 97 CO 0.00 1.76 2.73 0.59 -1.22 0.00 0.00 177.39 181.25 1bfi n ASN 98 N -0.66 4.70 -4.23 -1.43 3.02 -1.26 0.36 115.26 115.76 1bfi n ASN 98 Ca 0.54 -2.73 -0.14 0.00 -0.03 0.00 0.00 54.58 52.22 1bfi n ASN 98 Cb 0.47 -1.53 -0.10 0.00 -0.61 0.00 0.00 39.78 38.01 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 3.28 1.09 0.14 2.41 0.11 -1.26 -4.82 120.40 121.34 1bfi s VAL 99 Ca 0.53 -1.97 0.07 0.00 -2.93 0.00 0.00 61.98 57.68 1bfi s VAL 99 Cb 0.15 -1.74 -0.04 0.00 -1.53 0.00 0.00 36.38 33.22 1bfi s VAL 99 CO -0.05 -0.72 -0.02 0.42 -3.33 0.00 0.00 175.10 171.40 1bfi s THR 100 N -3.17 3.74 -0.30 5.04 -4.23 -1.26 -1.46 115.64 113.99 1bfi s THR 100 Ca 0.14 -1.27 0.03 0.00 -1.18 0.00 0.00 61.69 59.41 1bfi s THR 100 Cb 0.02 -2.83 0.44 0.00 1.34 0.00 0.00 72.50 71.47 1bfi s THR 100 CO -0.00 -0.00 1.62 0.18 -0.54 0.00 0.00 174.62 175.88 1bfi n LEU 101 N 0.24 5.52 0.00 4.79 4.77 -1.16 -4.07 117.00 127.09 1bfi n LEU 101 Ca -0.11 -2.92 0.12 0.00 -0.03 0.00 0.00 56.01 53.07 1bfi n LEU 101 Cb 0.54 -0.73 0.54 0.00 -2.33 0.00 0.00 43.42 41.43 1bfi n LEU 101 CO 0.38 0.88 0.89 0.00 -1.33 0.00 0.00 177.39 178.20 1bfi n ALA 102 N -0.58 2.14 -4.00 -1.18 0.00 -1.25 -4.56 120.51 111.08 1bfi n ALA 102 Ca 0.40 -0.09 -0.31 0.00 0.00 0.00 0.00 53.44 53.44 1bfi n ALA 102 Cb 1.27 -1.40 -0.15 0.00 0.00 0.00 0.00 19.45 19.17 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 -2.92 3.28 0.93 0.00 2.02 -0.88 -4.97 117.35 114.80 1bfi s TYR 103 Ca 0.14 -2.56 -0.10 0.00 -0.37 0.00 0.00 57.07 54.17 1bfi s TYR 103 Cb 0.16 -2.39 0.15 0.00 -0.40 0.00 0.00 41.96 39.48 1bfi s TYR 103 CO 0.43 -0.90 1.13 -2.14 -1.57 0.00 0.00 175.55 172.50 1bfi s PRO 104 N 1.08 0.89 0.26 -1.71 0.02 -1.26 0.11 135.00 134.39 1bfi s PRO 104 Ca 0.04 1.46 0.19 0.00 0.02 0.00 0.00 61.00 62.71 1bfi s PRO 104 Cb -0.19 -1.72 0.08 0.00 0.02 0.00 0.00 34.50 32.69 1bfi s PRO 104 CO -0.09 -2.69 1.28 -0.24 -0.33 0.00 0.00 177.00 174.93 1bfi h VAL 105 N -1.91 0.40 -0.63 3.83 3.04 0.07 -3.31 116.25 117.74 1bfi h VAL 105 Ca -0.45 -1.62 -0.40 0.00 -1.01 0.00 0.00 66.70 63.22 1bfi h VAL 105 Cb 1.27 2.05 -0.24 0.00 -2.01 0.00 0.00 31.29 32.37 1bfi h VAL 105 CO 0.43 0.23 -0.02 -1.22 -1.01 0.00 0.00 177.57 175.97 1bfi n TYR 106 N -3.02 2.07 -1.92 3.17 4.01 0.99 -5.03 117.16 117.43 1bfi n TYR 106 Ca -0.00 -2.06 -0.35 0.00 -0.16 0.00 0.00 57.90 55.33 1bfi n TYR 106 Cb 0.67 -0.68 0.04 0.00 -0.31 0.00 0.00 39.34 39.05 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 -3.46 2.50 0.69 -0.72 0.00 -1.25 -4.56 121.76 114.96 1bfi s ALA 107 Ca 0.51 0.81 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 1bfi s ALA 107 Cb 0.43 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1bfi s ALA 107 CO 0.01 -1.19 1.06 -0.65 0.00 0.00 0.00 175.76 174.99 1bfi s GLN 108 N -3.61 3.01 -1.66 0.00 1.11 -1.26 -3.76 119.66 113.49 1bfi s GLN 108 Ca 0.73 0.80 -0.02 0.00 0.01 0.00 0.00 55.36 56.87 1bfi s GLN 108 Cb -0.26 -2.01 0.00 0.00 -1.01 0.00 0.00 33.01 29.74 1bfi s GLN 108 CO 0.35 -1.00 0.29 1.04 0.01 0.00 0.00 175.29 175.98 1bfi n GLN 109 N -3.04 -3.20 -4.74 2.91 6.02 -1.26 -4.98 117.38 109.09 1bfi n GLN 109 Ca 0.07 0.96 -0.24 0.00 -0.01 0.00 0.00 57.00 57.77 1bfi n GLN 109 Cb 0.54 -5.70 -0.16 0.00 1.02 0.00 0.00 30.24 25.95 1bfi n GLN 109 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1bfi s ARG 110 N -5.35 1.43 0.00 -1.09 3.52 -1.25 -5.27 118.95 110.95 1bfi s ARG 110 Ca 0.14 -0.55 0.19 0.00 -0.13 0.00 0.00 55.73 55.38 1bfi s ARG 110 Cb -0.06 -1.32 0.15 0.00 -1.56 0.00 0.00 34.95 32.16 1bfi s ARG 110 CO 0.18 0.28 1.10 0.54 -0.81 0.00 0.00 175.30 176.59