#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 3.26 -4.78 1.62 2.03 -1.26 -5.04 116.55 112.38 1bfi n ASP 2 Ca 0.00 -3.81 -0.36 0.00 0.52 0.00 0.00 54.79 51.14 1bfi n ASP 2 Cb 0.00 -0.58 -0.01 0.00 -0.72 0.00 0.00 41.12 39.81 1bfi n ASP 2 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1bfi s LEU 3 N -3.38 3.90 0.00 -2.67 2.01 -1.26 -4.90 118.68 112.39 1bfi s LEU 3 Ca 0.46 2.19 0.15 0.00 0.01 0.00 0.00 54.13 56.94 1bfi s LEU 3 Cb 0.41 -4.40 0.83 0.00 0.01 0.00 0.00 46.19 43.04 1bfi s LEU 3 CO -0.01 -0.97 1.33 -0.81 1.01 0.00 0.00 176.35 176.90 1bfi n PRO 4 N -0.81 0.37 0.20 1.29 -0.04 -1.26 -2.84 135.00 131.91 1bfi n PRO 4 Ca 0.09 0.05 0.08 0.00 -0.04 0.00 0.00 63.50 63.68 1bfi n PRO 4 Cb 0.50 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.40 0.54 3.86 -2.00 -2.98 115.15 114.16 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 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 1bfi h HIS 5 CO 0.00 0.31 0.25 0.45 0.86 0.00 0.00 177.93 179.80 1bfi h HIS 6 N 0.00 0.51 -3.53 2.45 3.86 -1.92 -3.38 115.15 113.13 1bfi h HIS 6 Ca -0.00 0.01 -0.66 0.00 -1.16 0.00 0.00 60.37 58.56 1bfi h HIS 6 Cb 0.92 -0.17 -0.25 0.00 1.06 0.00 0.00 27.41 28.96 1bfi h HIS 6 CO 0.00 0.34 -0.67 -0.51 0.86 0.00 0.00 177.93 177.95 1bfi s ASP 7 N -6.69 4.78 0.39 2.45 1.01 -1.13 -4.95 116.67 112.52 1bfi s ASP 7 Ca -0.08 -0.38 0.28 0.00 0.71 0.00 0.00 52.55 53.08 1bfi s ASP 7 Cb 0.17 -1.84 1.33 0.00 1.01 0.00 0.00 42.92 43.60 1bfi s ASP 7 CO 0.73 -0.06 1.84 -0.33 0.21 0.00 0.00 175.17 177.57 1bfi h GLU 8 N 8.18 0.00 -0.76 8.23 5.08 -1.80 -2.72 114.58 130.78 1bfi h GLU 8 Ca -0.38 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.99 1bfi h GLU 8 Cb 1.16 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 1bfi h GLU 8 CO 0.59 0.00 0.50 1.57 -1.00 0.00 0.00 179.01 180.68 1bfi h LYS 9 N 0.00 0.98 -0.77 2.33 2.10 -1.89 4.52 116.57 123.84 1bfi h LYS 9 Ca 0.00 -0.06 0.11 0.00 -2.00 0.00 0.00 60.65 58.70 1bfi h LYS 9 Cb 0.21 -0.22 -0.05 0.00 -0.90 0.00 0.00 32.23 31.27 1bfi h LYS 9 CO 0.00 0.65 0.51 1.79 -2.00 0.00 0.00 179.45 180.39 1bfi h THR 10 N 1.01 0.91 0.00 0.07 1.35 -1.62 -3.31 112.91 111.32 1bfi h THR 10 Ca 0.29 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.92 1bfi h THR 10 Cb -0.08 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 66.55 1bfi h THR 10 CO -0.07 0.12 -0.92 -2.67 -0.25 0.00 0.00 175.52 171.73 1bfi n TRP 11 N -4.50 0.00 -2.86 4.73 4.27 -0.79 0.84 117.44 119.14 1bfi n TRP 11 Ca 0.13 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.33 1bfi n TRP 11 Cb 0.37 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.28 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 -3.17 7.14 -0.03 -0.67 2.47 1.48 0.25 114.94 122.41 1bfi s ASN 12 Ca 0.00 1.39 0.25 0.00 0.42 0.00 0.00 52.86 54.93 1bfi s ASN 12 Cb 0.00 -2.49 0.44 0.00 -1.45 0.00 0.00 41.25 37.74 1bfi s ASN 12 CO 0.00 -0.26 1.17 1.33 -3.72 0.00 0.00 177.10 175.61 1bfi n VAL 13 N 4.10 0.15 -0.08 -5.21 0.24 -0.30 -4.17 118.33 113.06 1bfi n VAL 13 Ca 0.04 -1.21 0.04 0.00 -2.04 0.00 0.00 64.34 61.17 1bfi n VAL 13 Cb 0.50 1.01 0.08 0.00 -1.47 0.00 0.00 33.84 33.97 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 0.38 -0.30 0.23 7.63 0.00 -1.23 0.54 105.19 112.43 1bfi n GLY 14 Ca 0.06 0.23 0.09 0.00 0.00 0.00 0.00 46.02 46.40 1bfi n GLY 14 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1bfi h SER 15 N 0.00 0.00 -4.30 1.61 4.64 -1.93 -3.41 113.55 110.16 1bfi h SER 15 Ca 0.16 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.96 1bfi h SER 15 Cb 0.35 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 62.56 1bfi h SER 15 CO -0.22 0.00 0.33 -0.94 -0.87 0.00 0.00 176.83 175.13 1bfi s SER 16 N -3.72 4.60 0.31 4.97 1.04 2.09 -5.06 113.70 117.94 1bfi s SER 16 Ca -0.02 1.83 0.08 0.00 0.48 0.00 0.00 55.95 58.32 1bfi s SER 16 Cb 0.05 -2.52 -0.06 0.00 0.10 0.00 0.00 66.02 63.59 1bfi s SER 16 CO 0.16 -1.97 -0.07 0.20 0.98 0.00 0.00 173.24 172.54 1bfi s ASN 17 N -3.33 3.23 0.20 7.02 0.01 -1.26 -4.89 114.94 115.92 1bfi s ASN 17 Ca 0.62 -1.20 -0.11 0.00 -0.71 0.00 0.00 52.86 51.45 1bfi s ASN 17 Cb -0.17 -0.26 0.13 0.00 0.41 0.00 0.00 41.25 41.37 1bfi s ASN 17 CO 0.54 -0.29 1.86 0.03 -1.51 0.00 0.00 177.10 177.74 1bfi h ARG 18 N 2.14 0.87 -0.51 -0.60 3.08 -1.97 1.85 114.38 119.24 1bfi h ARG 18 Ca -0.41 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.54 1bfi h ARG 18 Cb 1.24 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 1bfi h ARG 18 CO 0.69 0.58 0.13 -0.91 -1.07 0.00 0.00 179.97 179.39 1bfi h ASN 19 N 0.90 0.77 -0.04 7.04 2.35 -2.01 -2.07 115.58 122.53 1bfi h ASN 19 Ca 0.25 -0.23 -0.12 0.00 -0.55 0.00 0.00 56.30 55.65 1bfi h ASN 19 Cb -0.08 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.07 1bfi h ASN 19 CO -0.06 0.79 -0.37 0.50 -1.65 0.00 0.00 177.43 176.64 1bfi h LYS 20 N 0.70 0.54 -0.66 0.81 3.64 -1.76 -2.86 116.57 116.97 1bfi h LYS 20 Ca 0.16 -0.26 0.08 0.00 -1.27 0.00 0.00 60.65 59.36 1bfi h LYS 20 Cb 0.32 -0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.07 1bfi h LYS 20 CO 0.00 0.83 0.32 0.00 -2.27 0.00 0.00 179.45 178.33 1bfi h ALA 21 N 1.14 0.90 -0.36 5.00 0.00 0.34 0.24 119.26 126.52 1bfi h ALA 21 Ca 0.04 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1bfi h ALA 21 Cb 0.86 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1bfi h ALA 21 CO 0.07 -0.07 0.16 1.49 0.00 0.00 0.00 179.25 180.91 1bfi h GLU 22 N 0.57 0.33 -0.62 0.00 4.81 -1.16 1.12 114.58 119.62 1bfi h GLU 22 Ca 0.32 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.54 1bfi h GLU 22 Cb 0.32 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1bfi h GLU 22 CO -0.25 0.22 0.41 -0.91 -0.73 0.00 0.00 179.01 177.75 1bfi h ASN 23 N 0.34 0.72 0.48 1.04 4.21 -1.12 1.57 115.58 122.82 1bfi h ASN 23 Ca 0.16 -0.02 -0.06 0.00 1.21 0.00 0.00 56.30 57.59 1bfi h ASN 23 Cb 0.09 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.10 1bfi h ASN 23 CO -0.13 0.52 -0.29 -0.07 -1.29 0.00 0.00 177.43 176.17 1bfi h LEU 24 N 0.85 0.00 -0.63 1.61 3.38 0.55 -1.96 115.31 119.10 1bfi h LEU 24 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1bfi h LEU 24 Cb -0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1bfi h LEU 24 CO -0.05 0.29 -0.39 0.18 0.09 0.00 0.00 178.44 178.57 1bfi n LEU 25 N -3.84 1.37 -4.65 1.67 4.77 0.37 -4.60 117.00 112.09 1bfi n LEU 25 Ca -0.01 -0.44 -0.39 0.00 -0.03 0.00 0.00 56.01 55.14 1bfi n LEU 25 Cb 0.38 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.31 1bfi n LEU 25 CO 0.36 0.26 0.12 -0.60 -1.33 0.00 0.00 177.39 176.20 1bfi s ARG 26 N -2.54 4.14 0.00 3.23 6.06 0.52 -3.84 118.95 126.52 1bfi s ARG 26 Ca 0.21 0.21 0.00 0.00 -2.50 0.00 0.00 55.73 53.65 1bfi s ARG 26 Cb 0.19 -3.57 0.00 0.00 0.06 0.00 0.00 34.95 31.63 1bfi s ARG 26 CO 0.57 -0.12 0.00 0.41 -2.50 0.00 0.00 175.30 173.66 1bfi n GLY 27 N 4.07 0.75 3.80 8.12 0.00 -1.26 -4.88 105.19 115.79 1bfi n GLY 27 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.45 3.84 0.76 1.61 -0.14 -1.25 -5.08 119.74 119.03 1bfi s LYS 28 Ca 0.00 -0.17 -0.11 0.00 -1.36 0.00 0.00 55.97 54.33 1bfi s LYS 28 Cb 0.00 -3.31 0.05 0.00 -1.68 0.00 0.00 37.83 32.89 1bfi s LYS 28 CO 0.00 0.53 1.09 1.03 -0.76 0.00 0.00 175.35 177.24 1bfi s ARG 29 N -0.30 2.30 0.58 1.68 0.52 -1.26 -4.93 118.95 117.54 1bfi s ARG 29 Ca 0.11 1.17 -0.21 0.00 -0.52 0.00 0.00 55.73 56.29 1bfi s ARG 29 Cb -0.12 -1.90 -0.04 0.00 0.52 0.00 0.00 34.95 33.41 1bfi s ARG 29 CO 0.01 -1.61 1.34 -0.25 0.02 0.00 0.00 175.30 174.81 1bfi n ASP 30 N -3.45 2.49 0.00 0.23 8.00 -1.26 -2.50 116.55 120.06 1bfi n ASP 30 Ca 0.09 0.94 0.00 0.00 0.71 0.00 0.00 54.79 56.53 1bfi n ASP 30 Cb 0.53 -1.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.06 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 0.81 3.30 3.62 0.44 0.00 -0.95 -4.97 105.19 107.44 1bfi n GLY 31 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.96 4.45 0.29 2.61 2.01 -1.04 -1.86 115.64 119.14 1bfi s THR 32 Ca 0.00 1.42 0.02 0.00 0.31 0.00 0.00 61.69 63.44 1bfi s THR 32 Cb 0.00 -4.44 -0.05 0.00 0.01 0.00 0.00 72.50 68.02 1bfi s THR 32 CO 0.00 -0.64 0.09 0.72 -0.69 0.00 0.00 174.62 174.10 1bfi s PHE 33 N 3.81 1.69 0.07 4.92 -0.12 -0.46 -2.95 117.98 124.94 1bfi s PHE 33 Ca 0.44 -1.12 -0.10 0.00 -0.05 0.00 0.00 56.93 56.10 1bfi s PHE 33 Cb -0.11 -1.04 0.00 0.00 -0.63 0.00 0.00 43.02 41.25 1bfi s PHE 33 CO 0.21 -0.23 0.21 -0.48 -0.05 0.00 0.00 175.22 174.88 1bfi s LEU 34 N -3.38 1.32 -0.19 -1.99 0.05 0.93 -1.46 118.68 113.96 1bfi s LEU 34 Ca 0.37 -0.51 -0.07 0.00 0.05 0.00 0.00 54.13 53.97 1bfi s LEU 34 Cb 0.08 1.07 -0.04 0.00 -2.05 0.00 0.00 46.19 45.25 1bfi s LEU 34 CO 0.15 -0.67 0.07 -0.69 -0.55 0.00 0.00 176.35 174.65 1bfi s VAL 35 N -3.33 4.74 0.27 1.48 1.01 0.68 -0.17 120.40 125.08 1bfi s VAL 35 Ca 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 1bfi s VAL 35 Cb 0.02 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 1bfi s VAL 35 CO -0.08 0.44 0.30 0.00 0.00 0.00 0.00 175.10 175.76 1bfi s ARG 36 N 0.55 1.54 0.32 2.72 1.70 0.30 -1.15 118.95 124.93 1bfi s ARG 36 Ca 0.03 -1.67 0.08 0.00 -0.47 0.00 0.00 55.73 53.70 1bfi s ARG 36 Cb -0.13 0.36 -0.03 0.00 -0.57 0.00 0.00 34.95 34.58 1bfi s ARG 36 CO 0.01 -0.58 0.25 -2.00 -1.08 0.00 0.00 175.30 171.90 1bfi s GLU 37 N -3.73 2.70 0.00 3.89 2.12 -1.26 0.22 118.70 122.64 1bfi s GLU 37 Ca 0.34 -1.29 0.00 0.00 0.36 0.00 0.00 54.97 54.39 1bfi s GLU 37 Cb 0.03 -2.45 0.00 0.00 0.26 0.00 0.00 34.13 31.97 1bfi s GLU 37 CO 0.17 0.15 0.80 0.43 -0.54 0.00 0.00 175.26 176.27 1bfi n SER 38 N -1.30 2.39 0.00 -1.70 7.64 -1.25 -4.64 113.62 114.76 1bfi n SER 38 Ca -0.03 -1.59 0.00 0.00 1.01 0.00 0.00 58.87 58.26 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 -1.20 -3.01 0.00 0.00 175.04 170.83 1bfi n SER 39 N 0.61 0.00 -4.63 6.43 7.64 -1.26 -4.91 113.62 117.50 1bfi n SER 39 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 1bfi n SER 39 Cb 0.40 -0.84 -0.07 0.00 -1.01 0.00 0.00 64.21 62.69 1bfi n SER 39 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1bfi s LYS 40 N 0.00 4.10 -0.07 1.43 2.20 -1.26 -5.00 119.74 121.14 1bfi s LYS 40 Ca 0.00 0.41 -0.38 0.00 -0.36 0.00 0.00 55.97 55.63 1bfi s LYS 40 Cb 0.00 -3.64 -0.16 0.00 -1.51 0.00 0.00 37.83 32.52 1bfi s LYS 40 CO 0.00 -0.34 1.49 0.94 -0.36 0.00 0.00 175.35 177.08 1bfi n GLN 41 N 5.49 1.09 -0.38 4.03 -0.06 -1.26 -0.73 117.38 125.55 1bfi n GLN 41 Ca -0.03 0.39 0.00 0.00 -2.00 0.00 0.00 57.00 55.36 1bfi n GLN 41 Cb 0.50 -2.05 0.00 0.00 -4.06 0.00 0.00 30.24 24.63 1bfi n GLN 41 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1bfi n GLY 42 N 3.14 0.74 3.62 1.69 0.00 -1.26 -5.06 105.19 108.06 1bfi n GLY 42 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 1bfi n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bfi s TYR 44 N -1.39 1.29 -0.28 0.00 2.02 0.11 -3.84 117.35 115.27 1bfi s TYR 44 Ca 0.24 -0.50 -0.19 0.00 -0.37 0.00 0.00 57.07 56.24 1bfi s TYR 44 Cb -0.11 -0.71 0.09 0.00 -0.40 0.00 0.00 41.96 40.84 1bfi s TYR 44 CO 0.16 0.09 0.79 0.00 -1.57 0.00 0.00 175.55 175.02 1bfi s ALA 45 N -1.63 -1.93 -0.15 3.71 0.00 0.58 0.11 121.76 122.45 1bfi s ALA 45 Ca 0.02 2.22 -0.04 0.00 0.00 0.00 0.00 51.96 54.16 1bfi s ALA 45 Cb -0.08 -1.41 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 1bfi s ALA 45 CO 0.02 -0.35 -0.02 0.00 0.00 0.00 0.00 175.76 175.42 1bfi s SER 47 N 0.27 4.97 0.23 0.00 0.15 0.76 0.22 113.70 120.31 1bfi s SER 47 Ca -0.02 -0.01 0.02 0.00 0.70 0.00 0.00 55.95 56.64 1bfi s SER 47 Cb -0.14 -1.61 -0.05 0.00 -1.71 0.00 0.00 66.02 62.51 1bfi s SER 47 CO 0.02 0.26 0.05 0.54 1.20 0.00 0.00 173.24 175.32 1bfi s VAL 48 N -0.19 0.71 -0.07 4.45 0.11 -0.63 -0.05 120.40 124.73 1bfi s VAL 48 Ca 0.04 -2.00 0.05 0.00 -2.93 0.00 0.00 61.98 57.14 1bfi s VAL 48 Cb -0.13 -2.46 -0.01 0.00 -1.53 0.00 0.00 36.38 32.26 1bfi s VAL 48 CO 0.02 -0.18 -0.23 -0.69 -3.33 0.00 0.00 175.10 170.69 1bfi s VAL 49 N -3.64 1.93 0.20 2.04 1.01 -1.15 -1.65 120.40 119.13 1bfi s VAL 49 Ca 0.32 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.39 1bfi s VAL 49 Cb 0.07 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 1bfi s VAL 49 CO 0.10 0.54 -0.13 0.54 0.00 0.00 0.00 175.10 176.15 1bfi s VAL 50 N 0.03 1.61 0.66 2.92 0.11 -0.02 -2.23 120.40 123.48 1bfi s VAL 50 Ca -0.08 -2.18 0.23 0.00 -2.93 0.00 0.00 61.98 57.03 1bfi s VAL 50 Cb -0.15 -2.03 0.24 0.00 -1.53 0.00 0.00 36.38 32.92 1bfi s VAL 50 CO 0.05 -0.61 1.71 0.44 -3.33 0.00 0.00 175.10 173.36 1bfi h ASP 51 N 2.59 0.00 0.00 3.54 3.32 -1.92 -1.38 116.42 122.57 1bfi h ASP 51 Ca -0.38 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 1bfi h ASP 51 Cb 1.22 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 1bfi h ASP 51 CO 0.63 0.00 -0.23 1.23 -1.72 0.00 0.00 179.24 179.15 1bfi h GLY 52 N 0.00 0.00 0.00 2.75 0.00 -1.94 -3.51 103.07 100.37 1bfi h GLY 52 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1bfi h GLY 52 CO -0.00 0.00 0.00 -2.21 0.00 0.00 0.00 176.54 174.33 1bfi n GLU 53 N -4.70 0.00 -3.53 4.80 2.13 -0.52 -5.13 120.64 113.70 1bfi n GLU 53 Ca -0.05 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.40 1bfi n GLU 53 Cb 0.16 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.78 1bfi n GLU 53 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1bfi s VAL 54 N -2.65 5.28 0.16 6.31 1.01 -1.26 -0.84 120.40 128.41 1bfi s VAL 54 Ca 0.00 0.40 0.11 0.00 0.00 0.00 0.00 61.98 62.49 1bfi s VAL 54 Cb 0.00 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1bfi s VAL 54 CO 0.00 0.28 -0.23 -0.54 0.00 0.00 0.00 175.10 174.61 1bfi s LYS 55 N 1.37 1.57 -0.27 2.72 3.01 -0.66 -5.01 119.74 122.47 1bfi s LYS 55 Ca 0.12 -1.41 -0.01 0.00 -1.01 0.00 0.00 55.97 53.66 1bfi s LYS 55 Cb -0.14 -1.93 0.04 0.00 -1.01 0.00 0.00 37.83 34.79 1bfi s LYS 55 CO 0.07 0.43 -0.04 -1.01 0.51 0.00 0.00 175.35 175.31 1bfi s HIS 56 N -1.43 3.16 -0.17 3.18 3.76 -1.26 -1.61 115.29 120.92 1bfi s HIS 56 Ca 0.19 -1.73 -0.22 0.00 -0.15 0.00 0.00 55.06 53.15 1bfi s HIS 56 Cb -0.09 -2.07 -0.03 0.00 1.11 0.00 0.00 32.58 31.50 1bfi s HIS 56 CO 0.09 -0.77 0.66 0.00 -0.85 0.00 0.00 174.74 173.88 1bfi s VAL 58 N 1.72 5.16 -0.05 0.00 0.11 -1.26 0.25 120.40 126.33 1bfi s VAL 58 Ca 0.31 0.11 0.05 0.00 -2.93 0.00 0.00 61.98 59.52 1bfi s VAL 58 Cb -0.16 -3.42 -0.02 0.00 -1.53 0.00 0.00 36.38 31.24 1bfi s VAL 58 CO 0.12 0.31 -0.19 -0.63 -3.33 0.00 0.00 175.10 171.38 1bfi s ILE 59 N 1.37 2.64 0.02 7.04 1.01 0.31 -3.42 121.20 130.18 1bfi s ILE 59 Ca 0.07 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 59.88 1bfi s ILE 59 Cb -0.15 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.30 1bfi s ILE 59 CO 0.07 0.58 -0.10 0.21 0.00 0.00 0.00 174.94 175.69 1bfi s ASN 60 N -0.47 1.19 -0.70 3.58 2.47 0.01 -0.71 114.94 120.30 1bfi s ASN 60 Ca 0.06 -0.37 -0.18 0.00 0.42 0.00 0.00 52.86 52.80 1bfi s ASN 60 Cb -0.12 -0.07 0.13 0.00 -1.45 0.00 0.00 41.25 39.75 1bfi s ASN 60 CO 0.01 -0.00 0.79 -0.75 -3.72 0.00 0.00 177.10 173.43 1bfi s LYS 61 N -0.90 3.26 0.00 0.43 2.20 -1.26 0.44 119.74 123.91 1bfi s LYS 61 Ca -0.01 -1.67 0.00 0.00 -0.36 0.00 0.00 55.97 53.93 1bfi s LYS 61 Cb -0.07 -4.42 0.00 0.00 -1.51 0.00 0.00 37.83 31.83 1bfi s LYS 61 CO 0.01 -1.52 0.00 0.25 -0.36 0.00 0.00 175.35 173.72 1bfi n THR 62 N 5.18 0.00 -0.09 3.43 -2.24 -1.26 -4.75 114.28 114.55 1bfi n THR 62 Ca 0.01 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.96 1bfi n THR 62 Cb 0.44 0.00 0.56 0.00 -2.10 0.00 0.00 70.33 69.24 1bfi n THR 62 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bfi h ALA 63 N 1.56 2.21 -0.02 6.98 0.00 -2.00 0.87 119.26 128.86 1bfi h ALA 63 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1bfi h ALA 63 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1bfi h ALA 63 CO 0.00 -0.38 -0.18 0.25 0.00 0.00 0.00 179.25 178.94 1bfi n THR 64 N -4.45 0.00 -0.52 0.00 -2.24 -1.26 -4.90 114.28 100.92 1bfi n THR 64 Ca 0.12 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1bfi n THR 64 Cb 0.52 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 1bfi n THR 64 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bfi n GLY 65 N 1.31 0.00 0.00 3.38 0.00 0.30 -4.07 105.19 106.11 1bfi n GLY 65 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.30 0.00 0.00 1.61 4.01 0.36 -4.37 117.16 117.48 1bfi n TYR 66 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1bfi n TYR 66 Cb 0.15 0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 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 0.29 3.64 2.72 0.00 1.54 -0.81 105.19 112.57 1bfi n GLY 67 Ca 0.00 0.53 -0.42 0.00 0.00 0.00 0.00 46.02 46.13 1bfi n GLY 67 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1bfi s PHE 68 N 0.00 1.61 0.00 1.61 5.36 -1.22 -4.56 117.98 120.78 1bfi s PHE 68 Ca 0.00 0.08 0.00 0.00 -0.96 0.00 0.00 56.93 56.05 1bfi s PHE 68 Cb 0.00 -4.05 0.00 0.00 -0.34 0.00 0.00 43.02 38.63 1bfi s PHE 68 CO 0.00 -4.34 0.00 0.00 -1.46 0.00 0.00 175.22 169.42 1bfi n ALA 69 N 8.34 0.00 -1.46 11.12 0.00 -1.26 -4.86 120.51 132.39 1bfi n ALA 69 Ca 0.21 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.70 1bfi n ALA 69 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 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 0.00 -3.34 0.13 0.00 1.02 -1.26 -3.77 120.64 113.42 1bfi n GLU 70 Ca 0.00 2.64 0.13 0.00 -0.02 0.00 0.00 57.16 59.91 1bfi n GLU 70 Cb 0.00 -3.52 0.34 0.00 -0.02 0.00 0.00 31.44 28.24 1bfi n GLU 70 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1bfi h PRO 71 N -0.36 0.00 -5.66 3.49 0.11 -2.00 -3.35 132.00 124.22 1bfi h PRO 71 Ca -0.06 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.39 1bfi h PRO 71 Cb 0.96 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 31.85 1bfi h PRO 71 CO 0.02 0.00 -0.69 0.71 -0.21 0.00 0.00 178.00 177.83 1bfi s TYR 72 N -4.22 2.97 -0.53 0.65 2.02 -1.25 -5.06 117.35 111.94 1bfi s TYR 72 Ca -0.02 -0.20 -0.27 0.00 -0.37 0.00 0.00 57.07 56.21 1bfi s TYR 72 Cb 0.07 -1.84 0.03 0.00 -0.40 0.00 0.00 41.96 39.83 1bfi s TYR 72 CO 0.25 0.10 1.08 -0.80 -1.57 0.00 0.00 175.55 174.61 1bfi s ASN 73 N -0.15 6.48 0.00 2.29 0.02 -1.26 -4.81 114.94 117.52 1bfi s ASN 73 Ca 0.02 0.09 0.11 0.00 -1.02 0.00 0.00 52.86 52.06 1bfi s ASN 73 Cb -0.13 -2.51 0.17 0.00 0.02 0.00 0.00 41.25 38.80 1bfi s ASN 73 CO 0.03 -1.30 1.01 0.18 0.02 0.00 0.00 177.10 177.04 1bfi n LEU 74 N 7.87 2.32 -4.77 0.60 4.77 -1.26 -4.97 117.00 121.56 1bfi n LEU 74 Ca 0.07 -1.42 -0.37 0.00 -0.03 0.00 0.00 56.01 54.26 1bfi n LEU 74 Cb 0.49 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 1bfi n LEU 74 CO 0.69 0.51 0.04 -0.31 -1.33 0.00 0.00 177.39 176.99 1bfi s TYR 75 N -0.94 3.55 -0.21 -1.77 2.02 -1.26 -4.99 117.35 113.75 1bfi s TYR 75 Ca 0.17 0.75 -0.10 0.00 -0.37 0.00 0.00 57.07 57.51 1bfi s TYR 75 Cb 0.10 -2.33 -0.19 0.00 -0.40 0.00 0.00 41.96 39.14 1bfi s TYR 75 CO 0.14 0.37 0.03 -1.13 -1.57 0.00 0.00 175.55 173.39 1bfi n SER 76 N 3.01 1.99 -3.78 2.29 3.41 -1.26 -5.03 113.62 114.25 1bfi n SER 76 Ca -0.12 0.21 -0.09 0.00 -0.26 0.00 0.00 58.87 58.61 1bfi n SER 76 Cb 0.52 -0.78 -0.04 0.00 -0.26 0.00 0.00 64.21 63.66 1bfi n SER 76 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1bfi s SER 77 N -6.98 -0.24 0.16 4.04 1.04 -1.26 -5.03 113.70 105.43 1bfi s SER 77 Ca -0.31 -0.54 -0.13 0.00 0.48 0.00 0.00 55.95 55.45 1bfi s SER 77 Cb 0.09 0.59 0.05 0.00 0.10 0.00 0.00 66.02 66.85 1bfi s SER 77 CO 0.62 -1.09 1.74 -0.07 0.98 0.00 0.00 173.24 175.43 1bfi h LEU 78 N 2.19 0.70 -0.98 2.42 3.38 -1.97 0.54 115.31 121.59 1bfi h LEU 78 Ca -0.28 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 1bfi h LEU 78 Cb 1.26 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 1bfi h LEU 78 CO 0.36 0.63 0.56 0.50 0.09 0.00 0.00 178.44 180.59 1bfi h LYS 79 N 0.72 1.26 -0.16 1.13 3.64 -1.97 -0.35 116.57 120.85 1bfi h LYS 79 Ca 0.18 -0.11 -0.22 0.00 -1.27 0.00 0.00 60.65 59.22 1bfi h LYS 79 Cb 0.12 -0.27 0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1bfi h LYS 79 CO -0.02 0.88 -0.78 0.93 -2.27 0.00 0.00 179.45 178.19 1bfi h GLU 80 N 1.29 0.80 -0.05 1.90 3.07 -1.87 -2.94 114.58 116.77 1bfi h GLU 80 Ca 0.33 -0.66 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 1bfi h GLU 80 Cb -0.06 0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1bfi h GLU 80 CO -0.06 1.26 0.03 1.25 -1.40 0.00 0.00 179.01 180.09 1bfi h LEU 81 N 0.55 0.05 -0.59 1.33 5.85 0.72 0.74 115.31 123.96 1bfi h LEU 81 Ca -0.05 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.68 1bfi h LEU 81 Cb 1.41 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.40 1bfi h LEU 81 CO 0.16 0.04 0.38 1.62 -0.34 0.00 0.00 178.44 180.31 1bfi h VAL 82 N 0.07 1.14 -0.42 1.05 3.04 -1.15 -1.88 116.25 118.09 1bfi h VAL 82 Ca 0.02 -0.27 -0.01 0.00 -1.01 0.00 0.00 66.70 65.43 1bfi h VAL 82 Cb -0.00 0.29 -0.02 0.00 -2.01 0.00 0.00 31.29 29.54 1bfi h VAL 82 CO -0.01 0.14 0.22 -0.07 -1.01 0.00 0.00 177.57 176.85 1bfi h LEU 83 N 0.78 0.52 -0.89 3.16 3.38 -1.26 -1.64 115.31 119.36 1bfi h LEU 83 Ca 0.22 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1bfi h LEU 83 Cb -0.07 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 1bfi h LEU 83 CO -0.06 0.47 0.51 -0.74 0.09 0.00 0.00 178.44 178.71 1bfi h HIS 84 N 0.54 1.20 0.00 1.13 2.76 -0.52 -2.22 115.15 118.05 1bfi h HIS 84 Ca 0.15 -0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.22 1bfi h HIS 84 Cb 0.06 -0.39 -0.01 0.00 1.55 0.00 0.00 27.41 28.62 1bfi h HIS 84 CO -0.02 0.82 -0.38 1.88 -1.30 0.00 0.00 177.93 178.92 1bfi h TYR 85 N 1.24 0.00 -0.25 5.26 -1.99 -1.09 -0.82 116.97 119.31 1bfi h TYR 85 Ca 0.32 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.99 1bfi h TYR 85 Cb -0.01 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.70 1bfi h TYR 85 CO 0.01 0.38 -0.11 1.96 -0.00 0.00 0.00 178.16 180.40 1bfi h GLN 86 N 0.00 0.41 0.00 4.88 4.20 -0.66 -2.91 115.11 121.03 1bfi h GLN 86 Ca -0.00 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1bfi h GLN 86 Cb 0.87 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.60 1bfi h GLN 86 CO 0.05 0.53 -1.62 0.72 -0.67 0.00 0.00 178.83 177.85 1bfi n HIS 87 N -4.23 0.29 -3.72 2.96 8.25 -1.12 -4.09 115.22 113.55 1bfi n HIS 87 Ca 0.00 0.09 -0.35 0.00 -0.26 0.00 0.00 57.72 57.19 1bfi n HIS 87 Cb 0.30 -0.61 -0.08 0.00 1.12 0.00 0.00 29.99 30.72 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 -3.44 5.41 0.18 1.59 2.01 -0.33 -5.06 115.64 116.00 1bfi s THR 88 Ca -0.05 0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.89 1bfi s THR 88 Cb 0.13 -3.48 -0.08 0.00 0.01 0.00 0.00 72.50 69.08 1bfi s THR 88 CO 0.87 0.46 1.12 -0.94 -0.69 0.00 0.00 174.62 175.43 1bfi s SER 89 N 0.21 7.23 0.17 3.53 1.04 -1.26 -4.70 113.70 119.91 1bfi s SER 89 Ca 0.10 2.12 -0.13 0.00 0.48 0.00 0.00 55.95 58.52 1bfi s SER 89 Cb -0.11 -2.60 0.07 0.00 0.10 0.00 0.00 66.02 63.47 1bfi s SER 89 CO -0.01 -0.25 1.78 -0.07 0.98 0.00 0.00 173.24 175.67 1bfi h LEU 90 N 5.13 0.71 0.00 2.42 3.38 -0.86 -3.41 115.31 122.69 1bfi h LEU 90 Ca -0.44 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1bfi h LEU 90 Cb 1.21 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1bfi h LEU 90 CO 0.73 0.61 0.00 0.52 0.09 0.00 0.00 178.44 180.39 1bfi n VAL 91 N -4.59 0.00 -0.39 1.22 0.31 2.32 -4.75 118.33 112.45 1bfi n VAL 91 Ca 0.03 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.39 1bfi n VAL 91 Cb 0.09 0.00 -0.01 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 -0.38 -0.36 5.55 7.27 -1.26 -2.66 117.38 125.54 1bfi n GLN 92 Ca 0.00 0.25 0.05 0.00 0.07 0.00 0.00 57.00 57.37 1bfi n GLN 92 Cb 0.00 -0.46 0.21 0.00 2.41 0.00 0.00 30.24 32.40 1bfi n GLN 92 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 1bfi h HIS 93 N -0.17 1.16 -0.79 3.69 -0.00 -2.02 0.51 115.15 117.53 1bfi h HIS 93 Ca 0.00 0.03 0.23 0.00 -0.00 0.00 0.00 60.37 60.64 1bfi h HIS 93 Cb 0.17 -0.38 -0.03 0.00 -0.00 0.00 0.00 27.41 27.17 1bfi h HIS 93 CO 0.00 0.54 0.65 -0.97 -0.00 0.00 0.00 177.93 178.15 1bfi h ASN 94 N 1.08 0.00 -1.51 3.26 -0.00 -1.96 -3.44 115.58 113.02 1bfi h ASN 94 Ca 0.46 0.00 -0.34 0.00 -0.00 0.00 0.00 56.30 56.42 1bfi h ASN 94 Cb 0.32 0.00 -0.08 0.00 -0.00 0.00 0.00 38.32 38.55 1bfi h ASN 94 CO -0.21 0.00 -0.37 -0.67 -0.00 0.00 0.00 177.43 176.18 1bfi n ASP 95 N -4.00 -5.02 -0.04 1.15 -0.08 0.18 -4.81 116.55 103.93 1bfi n ASP 95 Ca 0.16 0.23 0.00 0.00 -1.51 0.00 0.00 54.79 53.67 1bfi n ASP 95 Cb 0.94 -4.06 0.00 0.00 2.34 0.00 0.00 41.12 40.34 1bfi n ASP 95 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1bfi n SER 96 N -0.95 0.31 -2.98 1.67 7.64 -1.24 -4.83 113.62 113.23 1bfi n SER 96 Ca -0.18 -1.24 -0.40 0.00 1.01 0.00 0.00 58.87 58.05 1bfi n SER 96 Cb 0.60 -0.02 0.04 0.00 -1.01 0.00 0.00 64.21 63.81 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 -0.09 7.50 -3.27 -3.43 4.77 -1.09 -4.80 117.00 116.59 1bfi n LEU 97 Ca 0.00 -4.88 -0.34 0.00 -0.03 0.00 0.00 56.01 50.77 1bfi n LEU 97 Cb 0.48 -1.08 -0.03 0.00 -2.33 0.00 0.00 43.42 40.46 1bfi n LEU 97 CO 0.00 1.79 3.10 -0.46 -1.33 0.00 0.00 177.39 180.49 1bfi n ASN 98 N -0.46 7.62 -4.24 -1.43 0.23 -1.26 0.57 115.26 116.29 1bfi n ASN 98 Ca 0.53 -2.50 -0.14 0.00 -0.53 0.00 0.00 54.58 51.95 1bfi n ASN 98 Cb 0.24 -1.42 -0.10 0.00 -2.08 0.00 0.00 39.78 36.41 1bfi n ASN 98 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1bfi s VAL 99 N 2.54 0.81 0.34 3.53 0.11 -1.26 -4.92 120.40 121.56 1bfi s VAL 99 Ca 0.61 -1.99 0.05 0.00 -2.93 0.00 0.00 61.98 57.72 1bfi s VAL 99 Cb 0.16 -2.02 -0.07 0.00 -1.53 0.00 0.00 36.38 32.92 1bfi s VAL 99 CO -0.05 -0.58 0.02 0.42 -3.33 0.00 0.00 175.10 171.58 1bfi s THR 100 N -3.56 1.54 -0.48 5.04 -4.23 -1.26 -1.71 115.64 110.98 1bfi s THR 100 Ca 0.21 -2.03 0.02 0.00 -1.18 0.00 0.00 61.69 58.71 1bfi s THR 100 Cb 0.05 -2.79 0.54 0.00 1.34 0.00 0.00 72.50 71.65 1bfi s THR 100 CO 0.02 -0.06 1.90 0.18 -0.54 0.00 0.00 174.62 176.13 1bfi n LEU 101 N -0.75 6.78 0.14 4.79 4.32 -1.14 -4.13 117.00 127.01 1bfi n LEU 101 Ca -0.04 -3.66 0.13 0.00 -0.02 0.00 0.00 56.01 52.42 1bfi n LEU 101 Cb 0.66 -0.87 0.46 0.00 -1.62 0.00 0.00 43.42 42.05 1bfi n LEU 101 CO 0.44 1.15 0.88 0.00 -1.22 0.00 0.00 177.39 178.63 1bfi h ALA 102 N 1.37 1.00 -3.49 -1.18 0.00 -1.71 -3.40 119.26 111.85 1bfi h ALA 102 Ca 0.57 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.80 1bfi h ALA 102 Cb 2.07 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 19.52 1bfi h ALA 102 CO 1.16 0.00 -0.69 0.71 0.00 0.00 0.00 179.25 180.43 1bfi s TYR 103 N -3.26 3.32 0.51 0.00 2.02 -0.78 -5.04 117.35 114.12 1bfi s TYR 103 Ca 0.07 -1.99 -0.23 0.00 -0.37 0.00 0.00 57.07 54.55 1bfi s TYR 103 Cb 0.10 -2.26 -0.06 0.00 -0.40 0.00 0.00 41.96 39.34 1bfi s TYR 103 CO 0.50 -0.83 1.33 -2.14 -1.57 0.00 0.00 175.55 172.84 1bfi s PRO 104 N 1.22 3.37 0.34 -1.71 0.02 -1.26 -1.36 135.00 135.63 1bfi s PRO 104 Ca -0.03 2.18 0.07 0.00 0.02 0.00 0.00 61.00 63.23 1bfi s PRO 104 Cb -0.20 -2.37 0.63 0.00 0.02 0.00 0.00 34.50 32.57 1bfi s PRO 104 CO -0.02 -0.98 1.84 -0.24 -0.33 0.00 0.00 177.00 177.27 1bfi h VAL 105 N 1.70 1.22 -1.49 3.83 3.04 0.09 -3.15 116.25 121.49 1bfi h VAL 105 Ca -0.51 -0.99 -0.56 0.00 -1.01 0.00 0.00 66.70 63.64 1bfi h VAL 105 Cb 1.28 1.25 -0.42 0.00 -2.01 0.00 0.00 31.29 31.40 1bfi h VAL 105 CO 0.59 0.31 -0.79 -1.22 -1.01 0.00 0.00 177.57 175.45 1bfi n TYR 106 N -4.21 3.14 -1.90 3.17 4.01 0.25 -5.02 117.16 116.60 1bfi n TYR 106 Ca -0.00 -3.12 -0.40 0.00 -0.16 0.00 0.00 57.90 54.22 1bfi n TYR 106 Cb 0.32 -0.14 -0.00 0.00 -0.31 0.00 0.00 39.34 39.21 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 -3.48 3.43 0.27 -0.72 0.00 -1.19 -4.05 121.76 116.02 1bfi s ALA 107 Ca 0.45 1.44 -0.31 0.00 0.00 0.00 0.00 51.96 53.55 1bfi s ALA 107 Cb 0.40 -3.56 -0.12 0.00 0.00 0.00 0.00 23.12 19.84 1bfi s ALA 107 CO -0.16 -0.98 1.51 0.94 0.00 0.00 0.00 175.76 177.07 1bfi n GLN 108 N 0.31 2.39 -2.83 0.00 7.27 -1.26 -4.94 117.38 118.32 1bfi n GLN 108 Ca 0.02 0.85 -0.36 0.00 0.07 0.00 0.00 57.00 57.59 1bfi n GLN 108 Cb 0.41 -2.57 -0.07 0.00 2.41 0.00 0.00 30.24 30.42 1bfi n GLN 108 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1bfi s GLN 109 N -0.46 4.43 0.19 3.69 1.11 -1.26 -5.06 119.66 122.29 1bfi s GLN 109 Ca 0.66 1.20 0.09 0.00 0.01 0.00 0.00 55.36 57.32 1bfi s GLN 109 Cb -0.57 -2.61 -0.04 0.00 -1.01 0.00 0.00 33.01 28.78 1bfi s GLN 109 CO 0.49 0.20 -0.18 1.03 0.01 0.00 0.00 175.29 176.83 1bfi s ARG 110 N -2.41 1.36 0.00 2.91 0.52 -1.26 -5.29 118.95 114.79 1bfi s ARG 110 Ca 0.53 -1.50 0.23 0.00 -0.52 0.00 0.00 55.73 54.48 1bfi s ARG 110 Cb -0.15 -1.41 0.19 0.00 0.52 0.00 0.00 34.95 34.09 1bfi s ARG 110 CO 0.20 0.28 1.24 0.54 0.02 0.00 0.00 175.30 177.58