#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 6.57 -0.13 1.62 1.01 -1.26 -5.02 116.67 119.47 1bfi s ASP 2 Ca 0.00 2.29 -0.10 0.00 0.71 0.00 0.00 52.55 55.46 1bfi s ASP 2 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 1bfi s ASP 2 CO 0.00 -0.64 0.19 -0.76 0.21 0.00 0.00 175.17 174.18 1bfi s LEU 3 N -2.50 4.34 0.00 1.23 1.43 -1.26 -4.96 118.68 116.96 1bfi s LEU 3 Ca 0.57 0.48 0.07 0.00 -1.03 0.00 0.00 54.13 54.22 1bfi s LEU 3 Cb -0.29 -2.18 0.35 0.00 0.03 0.00 0.00 46.19 44.10 1bfi s LEU 3 CO 0.37 0.30 1.03 -0.81 0.23 0.00 0.00 176.35 177.46 1bfi n PRO 4 N 2.56 0.12 0.14 1.29 -0.04 -1.26 -2.14 135.00 135.67 1bfi n PRO 4 Ca -0.17 0.18 0.13 0.00 -0.04 0.00 0.00 63.50 63.59 1bfi n PRO 4 Cb 0.53 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.84 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 -0.15 0.54 3.86 -2.00 -3.28 115.15 114.12 1bfi h HIS 5 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1bfi h HIS 5 Cb 0.05 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 1bfi h HIS 5 CO 0.00 0.00 0.09 0.45 0.86 0.00 0.00 177.93 179.33 1bfi h HIS 6 N 0.00 0.21 -3.28 2.45 3.86 -1.85 -3.40 115.15 113.13 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 0.79 -0.07 -0.12 0.00 1.06 0.00 0.00 27.41 29.08 1bfi h HIS 6 CO 0.00 0.19 -0.47 -0.51 0.86 0.00 0.00 177.93 178.01 1bfi s ASP 7 N -5.42 6.24 0.00 2.45 1.01 -1.24 -4.94 116.67 114.77 1bfi s ASP 7 Ca -0.13 0.26 0.20 0.00 0.71 0.00 0.00 52.55 53.59 1bfi s ASP 7 Cb 0.07 -2.10 1.13 0.00 1.01 0.00 0.00 42.92 43.03 1bfi s ASP 7 CO 0.69 0.17 1.62 -1.84 0.21 0.00 0.00 175.17 176.02 1bfi n GLU 8 N 3.55 0.48 -0.12 8.23 0.00 -1.26 -3.10 120.64 128.42 1bfi n GLU 8 Ca -0.15 0.05 0.02 0.00 0.00 0.00 0.00 57.16 57.08 1bfi n GLU 8 Cb 0.52 -1.50 0.33 0.00 0.00 0.00 0.00 31.44 30.79 1bfi n GLU 8 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.13 178.70 1bfi h LYS 9 N 0.00 0.78 0.00 3.44 2.10 -1.88 3.71 116.57 124.72 1bfi h LYS 9 Ca 0.00 -0.05 -0.06 0.00 -2.00 0.00 0.00 60.65 58.54 1bfi h LYS 9 Cb 0.09 -0.18 -0.01 0.00 -0.90 0.00 0.00 32.23 31.23 1bfi h LYS 9 CO 0.00 0.52 -0.30 1.79 -2.00 0.00 0.00 179.45 179.46 1bfi h THR 10 N 0.81 1.10 0.00 0.07 1.35 -1.77 -3.34 112.91 111.13 1bfi h THR 10 Ca 0.23 -1.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 1bfi h THR 10 Cb -0.07 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1bfi h THR 10 CO -0.05 0.29 -0.35 -2.67 -0.25 0.00 0.00 175.52 172.49 1bfi n TRP 11 N -4.01 0.00 -3.64 4.73 4.27 -0.72 -0.91 117.44 117.16 1bfi n TRP 11 Ca -0.02 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.21 1bfi n TRP 11 Cb 0.36 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 30.19 1bfi n TRP 11 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 1bfi s ASN 12 N -1.01 5.67 -0.22 -0.67 2.47 1.22 0.24 114.94 122.64 1bfi s ASN 12 Ca 0.00 -0.22 0.20 0.00 0.42 0.00 0.00 52.86 53.26 1bfi s ASN 12 Cb 0.00 -2.04 0.48 0.00 -1.45 0.00 0.00 41.25 38.24 1bfi s ASN 12 CO 0.00 -0.10 1.14 0.55 -3.72 0.00 0.00 177.10 174.97 1bfi n VAL 13 N 5.01 1.30 -0.20 -5.21 3.14 -0.97 -4.41 118.33 116.98 1bfi n VAL 13 Ca -0.14 -2.82 0.20 0.00 -2.96 0.00 0.00 64.34 58.62 1bfi n VAL 13 Cb 0.51 0.79 0.31 0.00 -1.06 0.00 0.00 33.84 34.39 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 -0.45 -0.48 0.00 7.55 0.00 -1.24 0.12 105.19 110.69 1bfi n GLY 14 Ca 0.13 0.26 0.01 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.60 0.00 -4.95 1.61 3.41 -1.26 -4.65 113.62 105.19 1bfi n SER 15 Ca 0.17 0.21 -0.23 0.00 -0.26 0.00 0.00 58.87 58.75 1bfi n SER 15 Cb 0.97 -0.25 -0.00 0.00 -0.26 0.00 0.00 64.21 64.67 1bfi n SER 15 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1bfi s SER 16 N -2.49 6.09 0.34 4.04 0.01 0.32 -5.11 113.70 116.89 1bfi s SER 16 Ca 0.03 0.38 0.09 0.00 1.31 0.00 0.00 55.95 57.75 1bfi s SER 16 Cb 0.02 -1.81 -0.05 0.00 0.21 0.00 0.00 66.02 64.39 1bfi s SER 16 CO 0.04 -0.48 0.08 0.20 0.41 0.00 0.00 173.24 173.48 1bfi s ASN 17 N -4.12 4.44 0.23 2.44 0.01 -1.26 -4.94 114.94 111.74 1bfi s ASN 17 Ca 0.44 -0.87 -0.08 0.00 -0.71 0.00 0.00 52.86 51.64 1bfi s ASN 17 Cb -0.10 -0.64 0.25 0.00 0.41 0.00 0.00 41.25 41.17 1bfi s ASN 17 CO 0.37 -0.26 1.86 0.03 -1.51 0.00 0.00 177.10 177.59 1bfi h ARG 18 N 1.68 0.95 -0.52 -0.60 2.47 -1.98 0.19 114.38 116.57 1bfi h ARG 18 Ca -0.43 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.22 1bfi h ARG 18 Cb 1.25 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 29.33 1bfi h ARG 18 CO 0.65 0.63 0.27 -0.97 0.56 0.00 0.00 179.97 181.11 1bfi h ASN 19 N 0.98 0.66 0.31 7.04 -0.73 -2.01 -1.44 115.58 120.39 1bfi h ASN 19 Ca 0.33 -0.11 -0.06 0.00 1.87 0.00 0.00 56.30 58.33 1bfi h ASN 19 Cb 0.04 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.45 1bfi h ASN 19 CO -0.13 0.58 -0.29 0.50 -0.37 0.00 0.00 177.43 177.72 1bfi h LYS 20 N 0.69 0.00 -0.86 6.67 3.64 -1.77 -2.57 116.57 122.38 1bfi h LYS 20 Ca 0.18 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1bfi h LYS 20 Cb 0.08 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 1bfi h LYS 20 CO -0.03 0.29 0.47 0.00 -2.27 0.00 0.00 179.45 177.92 1bfi h ALA 21 N 1.71 1.10 -0.64 5.00 0.00 0.44 0.30 119.26 127.17 1bfi h ALA 21 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1bfi h ALA 21 Cb 0.53 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1bfi h ALA 21 CO 0.04 0.61 0.41 0.93 0.00 0.00 0.00 179.25 181.24 1bfi h GLU 22 N 1.20 0.85 -0.48 0.00 4.39 -1.12 2.75 114.58 122.18 1bfi h GLU 22 Ca 0.30 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.90 1bfi h GLU 22 Cb 0.03 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 1bfi h GLU 22 CO -0.05 0.58 0.13 -0.91 -1.16 0.00 0.00 179.01 177.60 1bfi h ASN 23 N 0.86 0.71 -0.04 1.42 2.35 -1.30 0.70 115.58 120.29 1bfi h ASN 23 Ca 0.23 -0.22 -0.15 0.00 -0.55 0.00 0.00 56.30 55.61 1bfi h ASN 23 Cb -0.07 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 1bfi h ASN 23 CO -0.05 0.75 -0.47 -0.07 -1.65 0.00 0.00 177.43 175.94 1bfi h LEU 24 N 0.64 0.64 -0.16 1.61 3.38 0.40 -2.06 115.31 119.76 1bfi h LEU 24 Ca 0.15 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1bfi h LEU 24 Cb 0.31 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1bfi h LEU 24 CO -0.00 1.02 0.00 0.18 0.09 0.00 0.00 178.44 179.72 1bfi n LEU 25 N -4.00 0.42 -4.69 1.67 4.77 0.91 -4.46 117.00 111.62 1bfi n LEU 25 Ca -0.02 0.56 -0.42 0.00 -0.03 0.00 0.00 56.01 56.09 1bfi n LEU 25 Cb 0.56 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1bfi n LEU 25 CO 0.46 -0.23 0.78 -0.60 -1.33 0.00 0.00 177.39 176.47 1bfi s ARG 26 N -3.10 4.44 0.00 3.23 3.52 0.24 -2.75 118.95 124.52 1bfi s ARG 26 Ca 0.09 1.41 0.00 0.00 -0.13 0.00 0.00 55.73 57.11 1bfi s ARG 26 Cb 0.13 -3.53 0.00 0.00 -1.56 0.00 0.00 34.95 29.99 1bfi s ARG 26 CO 0.47 -0.29 0.00 0.41 -0.81 0.00 0.00 175.30 175.09 1bfi n GLY 27 N 3.08 0.65 3.68 8.12 0.00 -1.26 -4.94 105.19 114.53 1bfi n GLY 27 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.28 4.12 0.67 1.61 -0.14 -1.11 -5.08 119.74 119.54 1bfi s LYS 28 Ca 0.00 -0.19 -0.11 0.00 -1.36 0.00 0.00 55.97 54.31 1bfi s LYS 28 Cb 0.00 -3.50 -0.01 0.00 -1.68 0.00 0.00 37.83 32.64 1bfi s LYS 28 CO 0.00 0.12 1.05 1.03 -0.76 0.00 0.00 175.35 176.80 1bfi s ARG 29 N 0.86 3.20 0.35 1.68 0.52 -1.26 -4.92 118.95 119.38 1bfi s ARG 29 Ca 0.09 0.78 -0.27 0.00 -0.52 0.00 0.00 55.73 55.82 1bfi s ARG 29 Cb -0.13 -2.03 -0.12 0.00 0.52 0.00 0.00 34.95 33.19 1bfi s ARG 29 CO 0.03 -0.86 1.17 -3.47 0.02 0.00 0.00 175.30 172.19 1bfi n ASP 30 N -2.95 2.12 0.00 0.23 -0.08 -1.26 -2.66 116.55 111.95 1bfi n ASP 30 Ca 0.07 1.16 0.00 0.00 -1.51 0.00 0.00 54.79 54.51 1bfi n ASP 30 Cb 0.54 -1.42 0.00 0.00 2.34 0.00 0.00 41.12 42.59 1bfi n ASP 30 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1bfi n GLY 31 N 0.95 1.85 3.65 0.27 0.00 -1.16 -4.94 105.19 105.82 1bfi n GLY 31 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1bfi n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bfi s THR 32 N -2.06 4.81 0.10 2.61 2.01 -1.09 -2.15 115.64 119.88 1bfi s THR 32 Ca 0.00 1.69 0.03 0.00 0.31 0.00 0.00 61.69 63.72 1bfi s THR 32 Cb 0.00 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 1bfi s THR 32 CO 0.00 -0.07 -0.09 0.72 -0.69 0.00 0.00 174.62 174.49 1bfi s PHE 33 N 2.73 1.02 0.27 4.92 -0.71 -1.10 -2.95 117.98 122.16 1bfi s PHE 33 Ca 0.38 -0.71 0.09 0.00 -1.04 0.00 0.00 56.93 55.65 1bfi s PHE 33 Cb -0.16 -0.56 -0.04 0.00 -1.21 0.00 0.00 43.02 41.05 1bfi s PHE 33 CO 0.08 -0.03 0.04 -0.51 -1.34 0.00 0.00 175.22 173.47 1bfi s LEU 34 N -2.57 3.33 -0.18 -1.99 2.01 0.84 -3.67 118.68 116.45 1bfi s LEU 34 Ca 0.07 -0.56 -0.02 0.00 0.01 0.00 0.00 54.13 53.63 1bfi s LEU 34 Cb -0.01 -1.86 0.05 0.00 0.01 0.00 0.00 46.19 44.38 1bfi s LEU 34 CO -0.01 -0.02 -0.00 -0.69 1.01 0.00 0.00 176.35 176.64 1bfi s VAL 35 N -2.29 0.78 0.27 -1.59 1.01 0.14 0.39 120.40 119.11 1bfi s VAL 35 Ca 0.32 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.75 1bfi s VAL 35 Cb -0.07 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1bfi s VAL 35 CO 0.21 -0.05 0.15 -0.13 0.00 0.00 0.00 175.10 175.29 1bfi s ARG 36 N 1.76 1.48 0.74 2.72 0.52 -0.83 -2.30 118.95 123.04 1bfi s ARG 36 Ca -0.00 -1.83 -0.07 0.00 -0.52 0.00 0.00 55.73 53.31 1bfi s ARG 36 Cb -0.16 -0.00 0.09 0.00 0.52 0.00 0.00 34.95 35.39 1bfi s ARG 36 CO -0.07 -0.43 1.05 -1.83 0.02 0.00 0.00 175.30 174.04 1bfi s GLU 37 N -3.91 1.93 0.00 3.54 -1.05 -1.26 -1.53 118.70 116.42 1bfi s GLU 37 Ca 0.37 -0.41 0.00 0.00 -0.15 0.00 0.00 54.97 54.78 1bfi s GLU 37 Cb 0.06 -2.16 0.00 0.00 -0.44 0.00 0.00 34.13 31.59 1bfi s GLU 37 CO 0.16 -1.41 0.56 0.43 0.95 0.00 0.00 175.26 175.96 1bfi n SER 38 N -3.00 0.80 0.00 0.83 7.64 1.40 -4.53 113.62 116.75 1bfi n SER 38 Ca 0.10 -1.92 0.00 0.00 1.01 0.00 0.00 58.87 58.06 1bfi n SER 38 Cb 0.60 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 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 -0.07 0.00 -0.37 6.43 3.41 -1.26 -2.87 113.62 118.89 1bfi n SER 39 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 1bfi n SER 39 Cb 0.20 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.25 1bfi n SER 39 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1bfi h LYS 40 N 0.00 1.31 -7.08 4.33 3.64 -1.96 -3.42 116.57 113.39 1bfi h LYS 40 Ca 0.00 -0.09 -0.45 0.00 -1.27 0.00 0.00 60.65 58.83 1bfi h LYS 40 Cb 0.00 -0.29 -0.00 0.00 -0.41 0.00 0.00 32.23 31.53 1bfi h LYS 40 CO 0.00 0.89 0.36 -0.65 -2.27 0.00 0.00 179.45 177.77 1bfi s GLN 41 N -6.07 4.06 0.00 1.90 -0.21 -1.14 -4.91 119.66 113.29 1bfi s GLN 41 Ca -0.13 1.16 0.14 0.00 0.02 0.00 0.00 55.36 56.55 1bfi s GLN 41 Cb 0.18 -2.15 0.84 0.00 1.00 0.00 0.00 33.01 32.88 1bfi s GLN 41 CO 0.82 -0.19 1.41 0.41 -2.12 0.00 0.00 175.29 175.63 1bfi n GLY 42 N -0.67 -0.83 3.85 3.09 0.00 -1.26 -3.63 105.19 105.74 1bfi n GLY 42 Ca 0.08 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.82 2.31 -0.09 0.00 1.51 -1.08 0.42 117.35 117.61 1bfi s TYR 44 Ca 0.58 -0.38 -0.07 0.00 -1.01 0.00 0.00 57.07 56.19 1bfi s TYR 44 Cb -0.11 -1.26 0.03 0.00 -0.11 0.00 0.00 41.96 40.51 1bfi s TYR 44 CO 0.41 0.33 0.23 0.00 -1.11 0.00 0.00 175.55 175.40 1bfi s ALA 45 N -1.05 -0.55 -0.15 3.71 0.00 -0.58 0.23 121.76 123.36 1bfi s ALA 45 Ca 0.14 0.71 -0.05 0.00 0.00 0.00 0.00 51.96 52.77 1bfi s ALA 45 Cb -0.10 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 1bfi s ALA 45 CO 0.06 -0.13 -0.00 0.00 0.00 0.00 0.00 175.76 175.69 1bfi s SER 47 N 0.21 6.83 0.11 0.00 1.04 0.16 -0.27 113.70 121.78 1bfi s SER 47 Ca -0.00 0.99 0.04 0.00 0.48 0.00 0.00 55.95 57.46 1bfi s SER 47 Cb -0.13 -2.32 -0.04 0.00 0.10 0.00 0.00 66.02 63.63 1bfi s SER 47 CO 0.02 0.06 -0.10 0.54 0.98 0.00 0.00 173.24 174.74 1bfi s VAL 48 N 0.17 0.99 0.07 5.02 0.11 -1.08 0.29 120.40 125.97 1bfi s VAL 48 Ca 0.29 -1.78 0.09 0.00 -2.93 0.00 0.00 61.98 57.64 1bfi s VAL 48 Cb -0.17 -1.53 -0.03 0.00 -1.53 0.00 0.00 36.38 33.12 1bfi s VAL 48 CO 0.14 -0.64 -0.22 -0.69 -3.33 0.00 0.00 175.10 170.36 1bfi s VAL 49 N -2.79 2.49 0.29 2.04 1.01 -1.15 -1.69 120.40 120.60 1bfi s VAL 49 Ca 0.09 -1.42 0.11 0.00 0.00 0.00 0.00 61.98 60.76 1bfi s VAL 49 Cb -0.01 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 1bfi s VAL 49 CO -0.00 0.26 -0.17 -0.69 0.00 0.00 0.00 175.10 174.50 1bfi s VAL 50 N -0.95 2.37 -1.82 2.92 1.01 0.27 -2.97 120.40 121.23 1bfi s VAL 50 Ca 0.14 -2.34 0.00 0.00 0.00 0.00 0.00 61.98 59.78 1bfi s VAL 50 Cb -0.10 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1bfi s VAL 50 CO 0.05 -0.36 0.16 -0.90 0.00 0.00 0.00 175.10 174.06 1bfi n ASP 51 N -0.65 0.00 0.00 3.32 5.75 -1.26 -2.55 116.55 121.16 1bfi n ASP 51 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.73 1bfi n ASP 51 Cb 0.61 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 1bfi n ASP 51 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bfi n GLY 52 N -0.64 0.09 3.71 6.12 0.00 -1.26 -5.03 105.19 108.18 1bfi n GLY 52 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 1.63 -0.12 1.61 2.12 -1.06 -5.15 118.70 117.73 1bfi s GLU 53 Ca 0.00 -1.05 0.02 0.00 0.36 0.00 0.00 54.97 54.30 1bfi s GLU 53 Cb 0.00 0.55 -0.00 0.00 0.26 0.00 0.00 34.13 34.94 1bfi s GLU 53 CO 0.00 -0.72 -0.21 0.08 -0.54 0.00 0.00 175.26 173.88 1bfi s VAL 54 N -3.94 2.30 0.51 3.70 1.01 -1.26 0.96 120.40 123.67 1bfi s VAL 54 Ca 0.15 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1bfi s VAL 54 Cb -0.03 -1.92 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 1bfi s VAL 54 CO 0.06 0.55 0.03 -0.54 0.00 0.00 0.00 175.10 175.19 1bfi s LYS 55 N 0.52 2.19 -0.56 2.72 3.01 -0.68 -5.00 119.74 121.94 1bfi s LYS 55 Ca -0.13 -2.41 0.04 0.00 -1.01 0.00 0.00 55.97 52.46 1bfi s LYS 55 Cb -0.17 -1.32 0.16 0.00 -1.01 0.00 0.00 37.83 35.49 1bfi s LYS 55 CO 0.05 -0.44 0.39 -1.01 0.51 0.00 0.00 175.35 174.85 1bfi s HIS 56 N -2.96 2.54 0.26 3.18 3.76 -1.26 -2.65 115.29 118.16 1bfi s HIS 56 Ca 0.05 -2.87 -0.31 0.00 -0.15 0.00 0.00 55.06 51.78 1bfi s HIS 56 Cb 0.00 -2.04 -0.13 0.00 1.11 0.00 0.00 32.58 31.53 1bfi s HIS 56 CO 0.03 -0.68 1.46 0.00 -0.85 0.00 0.00 174.74 174.70 1bfi s VAL 58 N -0.10 4.73 -0.23 0.00 0.11 -1.26 0.72 120.40 124.36 1bfi s VAL 58 Ca 0.66 -0.07 -0.08 0.00 -2.93 0.00 0.00 61.98 59.57 1bfi s VAL 58 Cb -0.60 -3.09 -0.04 0.00 -1.53 0.00 0.00 36.38 31.13 1bfi s VAL 58 CO 0.50 0.52 0.08 -0.63 -3.33 0.00 0.00 175.10 172.24 1bfi s ILE 59 N -0.10 4.58 -0.22 7.04 -1.09 0.62 -4.85 121.20 127.19 1bfi s ILE 59 Ca 0.06 -0.09 -0.06 0.00 -2.23 0.00 0.00 60.65 58.34 1bfi s ILE 59 Cb -0.12 -3.12 -0.02 0.00 -1.58 0.00 0.00 42.46 37.61 1bfi s ILE 59 CO 0.01 0.36 0.02 0.20 -1.23 0.00 0.00 174.94 174.30 1bfi s ASN 60 N 1.26 4.86 -0.17 3.58 0.02 -0.50 -2.63 114.94 121.37 1bfi s ASN 60 Ca 0.05 -0.22 -0.04 0.00 -1.02 0.00 0.00 52.86 51.62 1bfi s ASN 60 Cb -0.14 -1.84 -0.03 0.00 0.02 0.00 0.00 41.25 39.25 1bfi s ASN 60 CO 0.04 0.03 -0.02 -0.54 0.02 0.00 0.00 177.10 176.63 1bfi s LYS 61 N 1.23 3.69 0.24 -0.60 1.02 -1.26 0.13 119.74 124.19 1bfi s LYS 61 Ca 0.04 -0.50 0.02 0.00 0.02 0.00 0.00 55.97 55.55 1bfi s LYS 61 Cb -0.15 -2.99 -0.01 0.00 -0.52 0.00 0.00 37.83 34.17 1bfi s LYS 61 CO 0.02 0.18 0.08 -2.37 -0.92 0.00 0.00 175.35 172.34 1bfi n THR 62 N 3.73 0.00 -0.32 2.17 5.66 -1.22 -4.86 114.28 119.44 1bfi n THR 62 Ca -0.17 -1.40 0.34 0.00 -3.05 0.00 0.00 64.05 59.77 1bfi n THR 62 Cb 0.52 0.50 0.59 0.00 -1.55 0.00 0.00 70.33 70.39 1bfi n THR 62 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bfi h ALA 63 N 1.39 3.13 -0.24 1.79 0.00 -2.07 -2.78 119.26 120.48 1bfi h ALA 63 Ca -0.19 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.48 1bfi h ALA 63 Cb 0.72 0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.45 1bfi h ALA 63 CO 0.30 -1.80 -0.48 2.41 0.00 0.00 0.00 179.25 179.68 1bfi n THR 64 N -3.53 0.00 -3.81 0.00 -1.04 -1.26 -5.15 114.28 99.49 1bfi n THR 64 Ca 0.27 -1.36 -0.09 0.00 -2.04 0.00 0.00 64.05 60.83 1bfi n THR 64 Cb 1.54 1.37 0.03 0.00 -1.82 0.00 0.00 70.33 71.45 1bfi n THR 64 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1bfi s GLY 65 N -1.05 0.41 0.00 3.41 0.00 -1.05 -5.04 107.32 104.00 1bfi s GLY 65 Ca 0.31 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 44.25 1bfi s GLY 65 CO -0.20 -0.13 0.00 -1.72 0.00 0.00 0.00 173.10 171.05 1bfi n TYR 66 N -0.55 0.00 0.00 1.90 4.01 0.36 -3.45 117.16 119.42 1bfi n TYR 66 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1bfi n TYR 66 Cb 0.60 0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 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 0.00 -0.55 3.49 2.72 0.00 0.15 -1.41 105.19 109.60 1bfi n GLY 67 Ca 0.00 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1bfi n GLY 67 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1bfi s PHE 68 N -0.26 3.16 -0.14 1.61 -0.71 -1.26 -4.74 117.98 115.65 1bfi s PHE 68 Ca 0.00 -0.30 0.01 0.00 -1.04 0.00 0.00 56.93 55.60 1bfi s PHE 68 Cb 0.00 -2.93 -0.00 0.00 -1.21 0.00 0.00 43.02 38.88 1bfi s PHE 68 CO 0.00 -0.70 -0.16 0.00 -1.34 0.00 0.00 175.22 173.02 1bfi s ALA 69 N 2.21 2.46 0.16 1.99 0.00 -1.26 -4.74 121.76 122.58 1bfi s ALA 69 Ca 0.13 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 51.19 1bfi s ALA 69 Cb -0.17 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 1bfi s ALA 69 CO 0.14 0.11 -0.18 -1.21 0.00 0.00 0.00 175.76 174.62 1bfi s GLU 70 N 0.60 1.24 0.35 0.00 2.02 1.12 -4.88 118.70 119.15 1bfi s GLU 70 Ca -0.09 -1.39 0.29 0.00 0.02 0.00 0.00 54.97 53.80 1bfi s GLU 70 Cb -0.16 -1.28 1.13 0.00 0.10 0.00 0.00 34.13 33.92 1bfi s GLU 70 CO 0.03 0.26 1.08 -2.30 0.02 0.00 0.00 175.26 174.35 1bfi n PRO 71 N 0.32 -0.01 -0.05 0.39 -0.02 -1.26 0.42 135.00 134.79 1bfi n PRO 71 Ca -0.13 0.80 -0.13 0.00 -2.02 0.00 0.00 63.50 62.02 1bfi n PRO 71 Cb 0.57 -1.72 -0.14 0.00 -0.02 0.00 0.00 33.50 32.19 1bfi n PRO 71 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1bfi n TYR 72 N -3.65 0.64 -3.80 6.00 9.36 -1.26 -4.85 117.16 119.60 1bfi n TYR 72 Ca 0.30 0.19 -0.35 0.00 3.32 0.00 0.00 57.90 61.36 1bfi n TYR 72 Cb 1.26 -1.11 -0.09 0.00 -0.63 0.00 0.00 39.34 38.77 1bfi n TYR 72 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 1bfi s ASN 73 N -6.16 5.92 -0.32 2.98 0.02 1.40 -5.05 114.94 113.73 1bfi s ASN 73 Ca -0.14 0.11 0.03 0.00 -1.02 0.00 0.00 52.86 51.84 1bfi s ASN 73 Cb 0.07 -2.04 0.16 0.00 0.02 0.00 0.00 41.25 39.46 1bfi s ASN 73 CO 0.79 0.12 0.41 -0.76 0.02 0.00 0.00 177.10 177.68 1bfi s LEU 74 N 0.69 -0.61 0.14 0.60 1.43 -1.25 0.36 118.68 120.03 1bfi s LEU 74 Ca 0.06 -0.76 -0.31 0.00 -1.03 0.00 0.00 54.13 52.09 1bfi s LEU 74 Cb -0.13 0.98 -0.10 0.00 0.03 0.00 0.00 46.19 46.97 1bfi s LEU 74 CO 0.01 -0.32 1.69 -0.31 0.23 0.00 0.00 176.35 177.65 1bfi s TYR 75 N 2.19 2.63 -0.19 0.29 2.02 -1.26 -4.90 117.35 118.13 1bfi s TYR 75 Ca 0.12 0.32 -0.19 0.00 -0.37 0.00 0.00 57.07 56.95 1bfi s TYR 75 Cb -0.13 -4.04 -0.15 0.00 -0.40 0.00 0.00 41.96 37.24 1bfi s TYR 75 CO -0.22 -4.09 0.15 0.66 -1.57 0.00 0.00 175.55 170.48 1bfi h SER 76 N 7.66 0.00 -5.50 2.29 4.64 -1.98 -3.46 113.55 117.20 1bfi h SER 76 Ca -0.44 -0.41 -0.20 0.00 -0.47 0.00 0.00 61.79 60.27 1bfi h SER 76 Cb 1.21 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.15 1bfi h SER 76 CO 0.94 1.28 -0.57 -0.44 -0.87 0.00 0.00 176.83 177.17 1bfi s SER 77 N -6.54 0.16 0.26 4.97 0.01 -1.26 -5.03 113.70 106.27 1bfi s SER 77 Ca -0.25 -1.28 -0.03 0.00 1.31 0.00 0.00 55.95 55.71 1bfi s SER 77 Cb 0.04 0.38 0.34 0.00 0.21 0.00 0.00 66.02 66.99 1bfi s SER 77 CO 0.50 -0.84 1.81 -0.07 0.41 0.00 0.00 173.24 175.05 1bfi h LEU 78 N 2.64 0.85 -1.00 2.44 3.38 -1.98 -1.80 115.31 119.85 1bfi h LEU 78 Ca -0.35 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.51 1bfi h LEU 78 Cb 1.24 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.71 1bfi h LEU 78 CO 0.53 0.82 0.65 0.11 0.09 0.00 0.00 178.44 180.64 1bfi h LYS 79 N 0.88 1.22 -0.14 1.13 1.57 -1.96 -0.44 116.57 118.83 1bfi h LYS 79 Ca 0.19 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 1bfi h LYS 79 Cb 0.29 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1bfi h LYS 79 CO -0.00 0.81 -0.35 1.49 -0.57 0.00 0.00 179.45 180.82 1bfi h GLU 80 N 1.25 0.29 -0.39 3.15 4.81 -1.80 -2.85 114.58 119.05 1bfi h GLU 80 Ca 0.40 -0.12 0.07 0.00 -0.13 0.00 0.00 59.36 59.58 1bfi h GLU 80 Cb 0.02 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 1bfi h GLU 80 CO -0.13 0.60 0.02 1.25 -0.73 0.00 0.00 179.01 180.02 1bfi h LEU 81 N 0.25 -0.13 -0.40 1.64 5.85 -0.26 1.78 115.31 124.04 1bfi h LEU 81 Ca 0.03 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 1bfi h LEU 81 Cb 0.74 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1bfi h LEU 81 CO 0.06 -0.03 -0.00 0.58 -0.34 0.00 0.00 178.44 178.71 1bfi h VAL 82 N 0.12 1.26 -0.36 1.05 2.07 -1.41 -1.97 116.25 117.02 1bfi h VAL 82 Ca 0.19 -1.01 -0.06 0.00 0.82 0.00 0.00 66.70 66.64 1bfi h VAL 82 Cb 0.27 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1bfi h VAL 82 CO -0.31 0.34 -0.02 -0.07 0.02 0.00 0.00 177.57 177.53 1bfi h LEU 83 N 0.53 0.64 -0.58 2.57 3.38 -1.06 -1.48 115.31 119.31 1bfi h LEU 83 Ca 0.11 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1bfi h LEU 83 Cb 0.48 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1bfi h LEU 83 CO 0.02 0.81 0.37 -0.74 0.09 0.00 0.00 178.44 178.99 1bfi h HIS 84 N 0.45 0.75 0.00 1.13 2.76 0.28 -2.25 115.15 118.27 1bfi h HIS 84 Ca 0.10 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.25 1bfi h HIS 84 Cb 0.49 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.20 1bfi h HIS 84 CO 0.04 0.49 -0.15 1.88 -1.30 0.00 0.00 177.93 178.90 1bfi h TYR 85 N 0.78 0.00 -0.43 5.26 0.05 -1.32 -2.35 116.97 118.96 1bfi h TYR 85 Ca 0.21 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.90 1bfi h TYR 85 Cb -0.06 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 1bfi h TYR 85 CO -0.03 0.15 -0.10 0.37 -1.05 0.00 0.00 178.16 177.50 1bfi h GLN 86 N 0.00 0.84 -0.12 4.88 5.75 -0.69 -3.09 115.11 122.67 1bfi h GLN 86 Ca -0.00 -0.32 -0.23 0.00 -0.15 0.00 0.00 58.65 57.95 1bfi h GLN 86 Cb 0.90 -0.05 0.01 0.00 1.07 0.00 0.00 27.48 29.41 1bfi h GLN 86 CO 0.02 0.95 -0.84 1.25 -2.65 0.00 0.00 178.83 177.56 1bfi h HIS 87 N 0.66 1.06 -2.78 3.99 2.76 -1.37 -3.42 115.15 116.06 1bfi h HIS 87 Ca 0.11 -0.49 -0.65 0.00 -2.20 0.00 0.00 60.37 57.14 1bfi h HIS 87 Cb 0.64 -0.15 -0.06 0.00 1.55 0.00 0.00 27.41 29.38 1bfi h HIS 87 CO 0.05 1.32 -0.39 0.99 -1.30 0.00 0.00 177.93 178.61 1bfi s THR 88 N -3.66 5.34 0.21 6.26 2.01 -0.90 -5.08 115.64 119.84 1bfi s THR 88 Ca -0.10 0.40 -0.22 0.00 0.31 0.00 0.00 61.69 62.09 1bfi s THR 88 Cb 0.08 -3.51 -0.08 0.00 0.01 0.00 0.00 72.50 69.00 1bfi s THR 88 CO 0.91 0.59 0.76 -0.94 -0.69 0.00 0.00 174.62 175.24 1bfi s SER 89 N -1.10 7.17 0.43 3.53 1.04 -1.26 -4.65 113.70 118.85 1bfi s SER 89 Ca 0.19 1.51 0.29 0.00 0.48 0.00 0.00 55.95 58.42 1bfi s SER 89 Cb -0.14 -2.45 1.03 0.00 0.10 0.00 0.00 66.02 64.56 1bfi s SER 89 CO 0.08 0.07 1.83 -0.07 0.98 0.00 0.00 173.24 176.13 1bfi h LEU 90 N 3.65 0.00 -0.70 2.42 4.07 -1.15 -3.30 115.31 120.31 1bfi h LEU 90 Ca -0.48 0.00 0.22 0.00 0.08 0.00 0.00 57.88 57.70 1bfi h LEU 90 Cb 1.20 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 42.81 1bfi h LEU 90 CO 0.65 0.00 0.10 0.55 -1.08 0.00 0.00 178.44 178.67 1bfi n VAL 91 N -2.81 -0.29 -0.26 1.22 3.14 1.91 0.19 118.33 121.42 1bfi n VAL 91 Ca 0.02 1.51 0.07 0.00 -2.96 0.00 0.00 64.34 62.98 1bfi n VAL 91 Cb 0.34 -2.27 0.20 0.00 -1.06 0.00 0.00 33.84 31.06 1bfi n VAL 91 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 1bfi h GLN 92 N 0.00 0.21 -6.68 1.45 5.75 -1.81 -0.03 115.11 114.01 1bfi h GLN 92 Ca 0.47 -0.01 -0.52 0.00 -0.15 0.00 0.00 58.65 58.43 1bfi h GLN 92 Cb 1.05 -0.05 0.06 0.00 1.07 0.00 0.00 27.48 29.61 1bfi h GLN 92 CO -0.63 0.14 0.91 -1.58 -2.65 0.00 0.00 178.83 175.02 1bfi s HIS 93 N -6.04 2.94 0.00 3.99 2.46 0.50 -1.18 115.29 117.97 1bfi s HIS 93 Ca -0.13 0.62 0.00 0.00 0.47 0.00 0.00 55.06 56.02 1bfi s HIS 93 Cb 0.22 -4.01 0.00 0.00 -0.13 0.00 0.00 32.58 28.66 1bfi s HIS 93 CO 0.76 -3.65 0.00 0.09 -2.47 0.00 0.00 174.74 169.47 1bfi n ASN 94 N 3.39 0.00 -1.91 9.88 3.02 -1.26 -2.43 115.26 125.95 1bfi n ASN 94 Ca 0.12 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.50 1bfi n ASN 94 Cb 0.37 -1.74 -0.05 0.00 -0.61 0.00 0.00 39.78 37.76 1bfi n ASN 94 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1bfi n ASP 95 N 0.00 -4.87 -0.10 6.41 8.00 -0.09 -4.73 116.55 121.17 1bfi n ASP 95 Ca 0.00 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.77 1bfi n ASP 95 Cb 0.00 -4.24 0.00 0.00 -0.02 0.00 0.00 41.12 36.86 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 -1.42 0.00 -4.12 -2.24 7.64 -0.82 -4.89 113.62 107.77 1bfi n SER 96 Ca -0.19 -1.16 -0.44 0.00 1.01 0.00 0.00 58.87 58.09 1bfi n SER 96 Cb 0.61 -0.03 0.01 0.00 -1.01 0.00 0.00 64.21 63.79 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 6.11 -4.23 -3.43 4.32 -1.22 -4.89 117.00 113.65 1bfi n LEU 97 Ca 0.00 -5.11 -0.41 0.00 -0.02 0.00 0.00 56.01 50.47 1bfi n LEU 97 Cb 0.53 -1.36 -0.01 0.00 -1.62 0.00 0.00 43.42 40.96 1bfi n LEU 97 CO 0.00 1.53 2.17 -3.20 -1.22 0.00 0.00 177.39 176.68 1bfi n ASN 98 N 2.04 4.21 -3.68 -1.43 5.15 -1.26 0.51 115.26 120.80 1bfi n ASN 98 Ca 0.26 -2.85 -0.12 0.00 -0.60 0.00 0.00 54.58 51.27 1bfi n ASN 98 Cb 0.36 -1.67 -0.06 0.00 -0.53 0.00 0.00 39.78 37.87 1bfi n ASN 98 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1bfi s VAL 99 N 4.67 0.06 -0.03 3.44 0.11 -1.26 -4.39 120.40 122.99 1bfi s VAL 99 Ca 0.53 -0.50 0.03 0.00 -2.93 0.00 0.00 61.98 59.12 1bfi s VAL 99 Cb 0.08 -0.97 0.00 0.00 -1.53 0.00 0.00 36.38 33.96 1bfi s VAL 99 CO 0.03 -0.28 -0.13 0.42 -3.33 0.00 0.00 175.10 171.82 1bfi s THR 100 N -2.59 1.09 -0.92 5.04 -4.23 -1.26 -1.22 115.64 111.54 1bfi s THR 100 Ca -0.05 -0.53 -0.20 0.00 -1.18 0.00 0.00 61.69 59.74 1bfi s THR 100 Cb -0.01 -0.95 -0.12 0.00 1.34 0.00 0.00 72.50 72.77 1bfi s THR 100 CO -0.03 0.32 1.99 0.18 -0.54 0.00 0.00 174.62 176.54 1bfi n LEU 101 N 3.23 4.66 -0.03 4.79 4.77 -1.19 -4.21 117.00 129.02 1bfi n LEU 101 Ca -0.18 -3.16 0.01 0.00 -0.03 0.00 0.00 56.01 52.66 1bfi n LEU 101 Cb 0.54 -1.23 -0.01 0.00 -2.33 0.00 0.00 43.42 40.38 1bfi n LEU 101 CO 0.25 -0.07 0.07 0.00 -1.33 0.00 0.00 177.39 176.31 1bfi n ALA 102 N 7.25 2.41 -4.01 -1.18 0.00 -1.25 -3.89 120.51 119.85 1bfi n ALA 102 Ca 0.50 -0.19 -0.31 0.00 0.00 0.00 0.00 53.44 53.44 1bfi n ALA 102 Cb 0.40 -0.11 -0.15 0.00 0.00 0.00 0.00 19.45 19.59 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 -1.03 3.60 0.53 0.00 2.02 -0.91 -5.05 117.35 116.51 1bfi s TYR 103 Ca 0.02 -2.87 -0.22 0.00 -0.37 0.00 0.00 57.07 53.62 1bfi s TYR 103 Cb 0.02 -2.77 -0.06 0.00 -0.40 0.00 0.00 41.96 38.76 1bfi s TYR 103 CO 0.10 -0.94 1.37 -2.30 -1.57 0.00 0.00 175.55 172.21 1bfi n PRO 104 N 4.30 1.78 0.04 -1.71 -0.02 -1.26 -2.70 135.00 135.43 1bfi n PRO 104 Ca 0.02 0.65 -0.03 0.00 -2.02 0.00 0.00 63.50 62.12 1bfi n PRO 104 Cb 0.42 -2.58 0.20 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 1.58 1.28 -1.37 -1.45 3.04 -1.41 -3.01 116.25 114.89 1bfi h VAL 105 Ca -0.51 -1.35 -0.68 0.00 -1.01 0.00 0.00 66.70 63.16 1bfi h VAL 105 Cb 1.30 1.45 -0.32 0.00 -2.01 0.00 0.00 31.29 31.71 1bfi h VAL 105 CO 0.58 0.42 0.44 -1.22 -1.01 0.00 0.00 177.57 176.78 1bfi n TYR 106 N -4.09 3.10 0.00 3.17 4.01 -0.09 -4.65 117.16 118.62 1bfi n TYR 106 Ca -0.01 -2.68 0.00 0.00 -0.16 0.00 0.00 57.90 55.05 1bfi n TYR 106 Cb 0.43 -0.99 0.00 0.00 -0.31 0.00 0.00 39.34 38.47 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 -0.70 0.00 -0.33 -0.72 0.00 -1.14 -4.49 120.51 113.13 1bfi n ALA 107 Ca 0.54 -0.20 -0.03 0.00 0.00 0.00 0.00 53.44 53.75 1bfi n ALA 107 Cb 0.57 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.11 1bfi n ALA 107 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1bfi h GLN 108 N 0.00 1.18 -5.67 0.00 4.20 -1.84 -3.40 115.11 109.58 1bfi h GLN 108 Ca 0.00 -0.07 -0.60 0.00 0.06 0.00 0.00 58.65 58.04 1bfi h GLN 108 Cb 0.00 -0.27 -0.08 0.00 0.30 0.00 0.00 27.48 27.43 1bfi h GLN 108 CO 0.00 0.78 -0.28 -0.65 -0.67 0.00 0.00 178.83 178.01 1bfi s GLN 109 N -6.13 4.10 0.02 1.46 1.11 -1.26 -5.08 119.66 113.88 1bfi s GLN 109 Ca -0.13 0.20 0.07 0.00 0.01 0.00 0.00 55.36 55.51 1bfi s GLN 109 Cb 0.17 -3.35 -0.03 0.00 -1.01 0.00 0.00 33.01 28.79 1bfi s GLN 109 CO 0.80 0.40 -0.20 1.03 0.01 0.00 0.00 175.29 177.33 1bfi s ARG 110 N -0.06 2.09 0.00 2.91 0.52 -1.26 -4.62 118.95 118.52 1bfi s ARG 110 Ca 0.19 -0.96 0.00 0.00 -0.52 0.00 0.00 55.73 54.45 1bfi s ARG 110 Cb -0.14 -2.16 0.00 0.00 0.52 0.00 0.00 34.95 33.17 1bfi s ARG 110 CO 0.07 0.55 0.00 0.54 0.02 0.00 0.00 175.30 176.48